----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:25:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.415149042304129 1.394386949707353 4.726328226666661 b -2.415149042304124 1.394386949707353 4.726328226666661 c 0.000000000000002 -2.788773899414709 4.726328226666661 Atomic positions (fractional): *1 Li 0.13391856154672 0.13391856154673 0.13391856154672 6.941 2 Li 0.86608143845328 0.86608143845328 0.86608143845328 6.941 *3 O 0.29479018667113 0.93521779315377 0.55000512774956 15.999 4 O 0.93521779315377 0.55000512774956 0.29479018667113 15.999 5 O 0.44999487225044 0.70520981332887 0.06478220684623 15.999 6 O 0.70520981332887 0.06478220684623 0.44999487225044 15.999 7 O 0.06478220684623 0.44999487225044 0.70520981332887 15.999 8 O 0.55000512774956 0.29479018667113 0.93521779315377 15.999 *9 As 0.33889545002598 0.33889545002598 0.33889545002598 74.922 10 As 0.66110454997402 0.66110454997403 0.66110454997403 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.830298084608253 0.000000000000000 0.000000000000000 b -2.415149042304126 4.183160849122062 0.000000000000000 c 0.000000000000000 0.000000000000000 14.178984679999999 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.80058522821339 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.86608143845328 6.941 > 2 3 Li 0.00000000000000 0.00000000000000 0.13391856154672 6.941 > 1 4 Li 0.66666666666667 0.33333333333333 0.19941477178661 6.941 > 2 5 Li 0.66666666666667 0.33333333333333 0.46725189488006 6.941 > 1 6 Li 0.33333333333333 0.66666666666667 0.53274810511994 6.941 > 2 *7 O 0.36811915081298 0.37666590810859 0.92667103585815 15.999 > 3 8 O 0.00854675729562 0.63188084918702 0.92667103585815 15.999 > 4 9 O 0.70999924144193 0.67521342396229 0.73999563080851 15.999 > 5 10 O 0.96521418252036 0.29000075855807 0.73999563080851 15.999 > 6 11 O 0.32478657603771 0.03478581747964 0.73999563080851 15.999 > 7 12 O 0.62333409189141 0.99145324270438 0.92667103585815 15.999 > 8 13 O 0.03478581747964 0.70999924144193 0.26000436919149 15.999 > 3 14 O 0.67521342396229 0.96521418252036 0.26000436919149 15.999 > 4 15 O 0.37666590810859 0.00854675729562 0.07332896414185 15.999 > 5 16 O 0.63188084918702 0.62333409189141 0.07332896414185 15.999 > 6 17 O 0.99145324270438 0.36811915081298 0.07332896414185 15.999 > 7 18 O 0.29000075855807 0.32478657603771 0.26000436919149 15.999 > 8 19 O 0.70145248414631 0.04333257477526 0.59333770252482 15.999 > 3 20 O 0.34188009062895 0.29854751585369 0.59333770252482 15.999 > 4 21 O 0.04333257477526 0.34188009062895 0.40666229747518 15.999 > 5 22 O 0.29854751585369 0.95666742522474 0.40666229747518 15.999 > 6 23 O 0.65811990937105 0.70145248414631 0.40666229747518 15.999 > 7 24 O 0.95666742522474 0.65811990937105 0.59333770252482 15.999 > 8 *25 As 0.66666666666667 0.33333333333333 0.67222878335931 74.922 > 9 26 As 0.66666666666667 0.33333333333333 0.99443788330736 74.922 > 10 27 As 0.33333333333333 0.66666666666667 0.00556211669264 74.922 > 9 28 As 0.33333333333333 0.66666666666667 0.32777121664069 74.922 > 10 29 As 0.00000000000000 0.00000000000000 0.33889545002598 74.922 > 9 30 As 0.00000000000000 0.00000000000000 0.66110454997402 74.922 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.660596169216506 0.000000000000000 0.000000000000000 b -4.830298084608252 8.366321698244125 0.000000000000000 c 0.000000000000000 0.000000000000000 14.178984679999999 Atomic positions (fractional): *1 Li 0.16666666666667 0.33333333333333 0.80058522821339 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.80058522821339 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.80058522821339 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.80058522821339 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.86608143845328 6.941 > 2 6 Li 0.50000000000000 0.00000000000000 0.86608143845328 6.941 > 2 7 Li 0.00000000000000 0.50000000000000 0.86608143845328 6.941 > 2 8 Li 0.50000000000000 0.50000000000000 0.86608143845328 6.941 > 2 9 Li 0.00000000000000 0.00000000000000 0.13391856154672 6.941 > 1 10 Li 0.50000000000000 0.00000000000000 0.13391856154672 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.13391856154672 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.13391856154672 6.941 > 1 13 Li 0.33333333333333 0.16666666666667 0.19941477178661 6.941 > 2 14 Li 0.83333333333333 0.16666666666667 0.19941477178661 6.941 > 2 15 Li 0.33333333333333 0.66666666666667 0.19941477178661 6.941 > 2 16 Li 0.83333333333333 0.66666666666667 0.19941477178661 6.941 > 2 17 Li 0.33333333333333 0.16666666666667 0.46725189488006 6.941 > 1 18 Li 0.83333333333333 0.16666666666667 0.46725189488006 6.941 > 1 19 Li 0.33333333333333 0.66666666666667 0.46725189488006 6.941 > 1 20 Li 0.83333333333333 0.66666666666667 0.46725189488006 6.941 > 1 21 Li 0.16666666666667 0.33333333333333 0.53274810511994 6.941 > 2 22 Li 0.66666666666667 0.33333333333333 0.53274810511994 6.941 > 2 23 Li 0.16666666666667 0.83333333333333 0.53274810511994 6.941 > 2 24 Li 0.66666666666667 0.83333333333333 0.53274810511994 6.941 > 2 *25 O 0.18405957540649 0.18833295405430 0.92667103585815 15.999 > 3 26 O 0.68405957540649 0.18833295405430 0.92667103585815 15.999 > 3 27 O 0.18405957540649 0.68833295405430 0.92667103585815 15.999 > 3 28 O 0.68405957540649 0.68833295405430 0.92667103585815 15.999 > 3 29 O 0.00427337864781 0.31594042459351 0.92667103585815 15.999 > 4 30 O 0.50427337864781 0.31594042459351 0.92667103585815 15.999 > 4 31 O 0.00427337864781 0.81594042459351 0.92667103585815 15.999 > 4 32 O 0.50427337864781 0.81594042459351 0.92667103585815 15.999 > 4 33 O 0.35499962072096 0.33760671198114 0.73999563080851 15.999 > 5 34 O 0.85499962072096 0.33760671198114 0.73999563080851 15.999 > 5 35 O 0.35499962072096 0.83760671198114 0.73999563080851 15.999 > 5 36 O 0.85499962072096 0.83760671198114 0.73999563080851 15.999 > 5 37 O 0.48260709126018 0.14500037927904 0.73999563080851 15.999 > 6 38 O 0.98260709126018 0.14500037927904 0.73999563080851 15.999 > 6 39 O 0.48260709126018 0.64500037927904 0.73999563080851 15.999 > 6 40 O 0.98260709126018 0.64500037927904 0.73999563080851 15.999 > 6 41 O 0.16239328801886 0.01739290873982 0.73999563080851 15.999 > 7 42 O 0.66239328801886 0.01739290873982 0.73999563080851 15.999 > 7 43 O 0.16239328801886 0.51739290873982 0.73999563080851 15.999 > 7 44 O 0.66239328801886 0.51739290873982 0.73999563080851 15.999 > 7 45 O 0.31166704594570 0.49572662135219 0.92667103585815 15.999 > 8 46 O 0.81166704594570 0.49572662135219 0.92667103585815 15.999 > 8 47 O 0.31166704594570 0.99572662135219 0.92667103585815 15.999 > 8 48 O 0.81166704594570 0.99572662135219 0.92667103585815 15.999 > 8 49 O 0.01739290873982 0.35499962072096 0.26000436919149 15.999 > 3 50 O 0.51739290873982 0.35499962072096 0.26000436919149 15.999 > 3 51 O 0.01739290873982 0.85499962072096 0.26000436919149 15.999 > 3 52 O 0.51739290873982 0.85499962072096 0.26000436919149 15.999 > 3 53 O 0.33760671198114 0.48260709126018 0.26000436919149 15.999 > 4 54 O 0.83760671198114 0.48260709126018 0.26000436919149 15.999 > 4 55 O 0.33760671198114 0.98260709126018 0.26000436919149 15.999 > 4 56 O 0.83760671198114 0.98260709126018 0.26000436919149 15.999 > 4 57 O 0.18833295405430 0.00427337864781 0.07332896414185 15.999 > 5 58 O 0.68833295405430 0.00427337864781 0.07332896414185 15.999 > 5 59 O 0.18833295405430 0.50427337864781 0.07332896414185 15.999 > 5 60 O 0.68833295405430 0.50427337864781 0.07332896414185 15.999 > 5 61 O 0.31594042459351 0.31166704594570 0.07332896414185 15.999 > 6 62 O 0.81594042459351 0.31166704594570 0.07332896414185 15.999 > 6 63 O 0.31594042459351 0.81166704594570 0.07332896414185 15.999 > 6 64 O 0.81594042459351 0.81166704594570 0.07332896414185 15.999 > 6 65 O 0.49572662135219 0.18405957540649 0.07332896414185 15.999 > 7 66 O 0.99572662135219 0.18405957540649 0.07332896414185 15.999 > 7 67 O 0.49572662135219 0.68405957540649 0.07332896414185 15.999 > 7 68 O 0.99572662135219 0.68405957540649 0.07332896414185 15.999 > 7 69 O 0.14500037927904 0.16239328801886 0.26000436919149 15.999 > 8 70 O 0.64500037927904 0.16239328801886 0.26000436919149 15.999 > 8 71 O 0.14500037927904 0.66239328801886 0.26000436919149 15.999 > 8 72 O 0.64500037927904 0.66239328801886 0.26000436919149 15.999 > 8 73 O 0.35072624207315 0.02166628738763 0.59333770252482 15.999 > 3 74 O 0.85072624207315 0.02166628738763 0.59333770252482 15.999 > 3 75 O 0.35072624207315 0.52166628738763 0.59333770252482 15.999 > 3 76 O 0.85072624207315 0.52166628738763 0.59333770252482 15.999 > 3 77 O 0.17094004531448 0.14927375792685 0.59333770252482 15.999 > 4 78 O 0.67094004531448 0.14927375792685 0.59333770252482 15.999 > 4 79 O 0.17094004531448 0.64927375792685 0.59333770252482 15.999 > 4 80 O 0.67094004531448 0.64927375792685 0.59333770252482 15.999 > 4 81 O 0.02166628738763 0.17094004531448 0.40666229747518 15.999 > 5 82 O 0.52166628738763 0.17094004531448 0.40666229747518 15.999 > 5 83 O 0.02166628738763 0.67094004531448 0.40666229747518 15.999 > 5 84 O 0.52166628738763 0.67094004531448 0.40666229747518 15.999 > 5 85 O 0.14927375792685 0.47833371261237 0.40666229747518 15.999 > 6 86 O 0.64927375792685 0.47833371261237 0.40666229747518 15.999 > 6 87 O 0.14927375792685 0.97833371261237 0.40666229747518 15.999 > 6 88 O 0.64927375792685 0.97833371261237 0.40666229747518 15.999 > 6 89 O 0.32905995468552 0.35072624207315 0.40666229747518 15.999 > 7 90 O 0.82905995468552 0.35072624207315 0.40666229747518 15.999 > 7 91 O 0.32905995468552 0.85072624207315 0.40666229747518 15.999 > 7 92 O 0.82905995468552 0.85072624207315 0.40666229747518 15.999 > 7 93 O 0.47833371261237 0.32905995468552 0.59333770252482 15.999 > 8 94 O 0.97833371261237 0.32905995468552 0.59333770252482 15.999 > 8 95 O 0.47833371261237 0.82905995468552 0.59333770252482 15.999 > 8 96 O 0.97833371261237 0.82905995468552 0.59333770252482 15.999 > 8 *97 As 0.33333333333333 0.16666666666667 0.67222878335931 74.922 > 9 98 As 0.83333333333333 0.16666666666667 0.67222878335931 74.922 > 9 99 As 0.33333333333333 0.66666666666667 0.67222878335931 74.922 > 9 100 As 0.83333333333333 0.66666666666667 0.67222878335931 74.922 > 9 101 As 0.33333333333333 0.16666666666667 0.99443788330736 74.922 > 10 102 As 0.83333333333333 0.16666666666667 0.99443788330736 74.922 > 10 103 As 0.33333333333333 0.66666666666667 0.99443788330736 74.922 > 10 104 As 0.83333333333333 0.66666666666667 0.99443788330736 74.922 > 10 105 As 0.16666666666667 0.33333333333333 0.00556211669264 74.922 > 9 106 As 0.66666666666667 0.33333333333333 0.00556211669264 74.922 > 9 107 As 0.16666666666667 0.83333333333333 0.00556211669264 74.922 > 9 108 As 0.66666666666667 0.83333333333333 0.00556211669264 74.922 > 9 109 As 0.16666666666667 0.33333333333333 0.32777121664069 74.922 > 10 110 As 0.66666666666667 0.33333333333333 0.32777121664069 74.922 > 10 111 As 0.16666666666667 0.83333333333333 0.32777121664069 74.922 > 10 112 As 0.66666666666667 0.83333333333333 0.32777121664069 74.922 > 10 113 As 0.00000000000000 0.00000000000000 0.33889545002598 74.922 > 9 114 As 0.50000000000000 0.00000000000000 0.33889545002598 74.922 > 9 115 As 0.00000000000000 0.50000000000000 0.33889545002598 74.922 > 9 116 As 0.50000000000000 0.50000000000000 0.33889545002598 74.922 > 9 117 As 0.00000000000000 0.00000000000000 0.66110454997402 74.922 > 10 118 As 0.50000000000000 0.00000000000000 0.66110454997402 74.922 > 10 119 As 0.00000000000000 0.50000000000000 0.66110454997402 74.922 > 10 120 As 0.50000000000000 0.50000000000000 0.66110454997402 74.922 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8492471 0.0001118 0.0000000 -0.0001118 3.8492471 0.0000000 0.0000000 0.0000000 3.0353047 -------------------------- Born effective charges -------------------------- 1 Li 1.0708113 -0.0359252 0.0000000 0.0359252 1.0708113 -0.0000000 -0.0000000 0.0000000 1.3930557 2 Li 1.0708113 -0.0359252 0.0000000 0.0359252 1.0708113 -0.0000000 -0.0000000 0.0000000 1.3930557 3 O -2.1835678 0.4327961 -0.0740227 0.4144514 -1.7417791 -0.1043920 -0.1811988 -0.1941349 -1.3528823 4 O -2.2190952 -0.3939396 -0.0533947 -0.4122844 -1.7062517 0.1163016 -0.0775264 0.2539902 -1.3528823 5 O -1.4853574 -0.0113394 0.1274175 -0.0296841 -2.4399895 -0.0119096 0.2587251 -0.0598553 -1.3528823 6 O -2.1835678 0.4327961 -0.0740227 0.4144514 -1.7417791 -0.1043920 -0.1811988 -0.1941349 -1.3528823 7 O -2.2190952 -0.3939396 -0.0533947 -0.4122844 -1.7062517 0.1163016 -0.0775264 0.2539902 -1.3528823 8 O -1.4853574 -0.0113394 0.1274175 -0.0296841 -2.4399895 -0.0119096 0.2587251 -0.0598553 -1.3528823 9 As 4.8172091 0.0084080 0.0000000 -0.0084080 4.8172091 -0.0000000 -0.0000000 0.0000000 2.6655912 10 As 4.8172091 0.0084080 0.0000000 -0.0084080 4.8172091 -0.0000000 -0.0000000 0.0000000 2.6655912 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 440 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.016 Solver_block: 100 / 240 - Time: 1.022 Solver_block: 200 / 240 - Time: 1.056 Solver_block: 240 / 240 - Time: 0.480 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.588 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 440 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:25:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.415149042304129 1.394386949707353 4.726328226666661 b -2.415149042304124 1.394386949707353 4.726328226666661 c 0.000000000000002 -2.788773899414709 4.726328226666661 Atomic positions (fractional): 1 Li 0.13391856154672 0.13391856154673 0.13391856154672 6.941 2 Li 0.86608143845328 0.86608143845328 0.86608143845328 6.941 3 O 0.29479018667113 0.93521779315377 0.55000512774956 15.999 4 O 0.93521779315377 0.55000512774956 0.29479018667113 15.999 5 O 0.44999487225044 0.70520981332887 0.06478220684623 15.999 6 O 0.70520981332887 0.06478220684623 0.44999487225044 15.999 7 O 0.06478220684623 0.44999487225044 0.70520981332887 15.999 8 O 0.55000512774956 0.29479018667113 0.93521779315377 15.999 9 As 0.33889545002598 0.33889545002598 0.33889545002598 74.922 10 As 0.66110454997402 0.66110454997403 0.66110454997403 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.660596169216506 0.000000000000000 0.000000000000000 b -4.830298084608252 8.366321698244125 0.000000000000000 c 0.000000000000000 0.000000000000000 14.178984679999999 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.80058522821339 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.80058522821339 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.80058522821339 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.80058522821339 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.86608143845328 6.941 > 5 6 Li 0.50000000000000 0.00000000000000 0.86608143845328 6.941 > 5 7 Li 0.00000000000000 0.50000000000000 0.86608143845328 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.86608143845328 6.941 > 5 9 Li 0.00000000000000 0.00000000000000 0.13391856154672 6.941 > 1 10 Li 0.50000000000000 0.00000000000000 0.13391856154672 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.13391856154672 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.13391856154672 6.941 > 1 13 Li 0.33333333333333 0.16666666666667 0.19941477178661 6.941 > 5 14 Li 0.83333333333333 0.16666666666667 0.19941477178661 6.941 > 5 15 Li 0.33333333333333 0.66666666666667 0.19941477178661 6.941 > 5 16 Li 0.83333333333333 0.66666666666667 0.19941477178661 6.941 > 5 17 Li 0.33333333333333 0.16666666666667 0.46725189488006 6.941 > 1 18 Li 0.83333333333333 0.16666666666667 0.46725189488006 6.941 > 1 19 Li 0.33333333333333 0.66666666666667 0.46725189488006 6.941 > 1 20 Li 0.83333333333333 0.66666666666667 0.46725189488006 6.941 > 1 21 Li 0.16666666666667 0.33333333333333 0.53274810511994 6.941 > 5 22 Li 0.66666666666667 0.33333333333333 0.53274810511994 6.941 > 5 23 Li 0.16666666666667 0.83333333333333 0.53274810511994 6.941 > 5 24 Li 0.66666666666667 0.83333333333333 0.53274810511994 6.941 > 5 25 O 0.18405957540649 0.18833295405430 0.92667103585815 15.999 > 25 26 O 0.68405957540649 0.18833295405430 0.92667103585815 15.999 > 25 27 O 0.18405957540649 0.68833295405430 0.92667103585815 15.999 > 25 28 O 0.68405957540649 0.68833295405430 0.92667103585815 15.999 > 25 29 O 0.00427337864781 0.31594042459351 0.92667103585815 15.999 > 29 30 O 0.50427337864781 0.31594042459351 0.92667103585815 15.999 > 29 31 O 0.00427337864781 0.81594042459351 0.92667103585815 15.999 > 29 32 O 0.50427337864781 0.81594042459351 0.92667103585815 15.999 > 29 33 O 0.35499962072096 0.33760671198114 0.73999563080851 15.999 > 33 34 O 0.85499962072096 0.33760671198114 0.73999563080851 15.999 > 33 35 O 0.35499962072096 0.83760671198114 0.73999563080851 15.999 > 33 36 O 0.85499962072096 0.83760671198114 0.73999563080851 15.999 > 33 37 O 0.48260709126018 0.14500037927904 0.73999563080851 15.999 > 37 38 O 0.98260709126018 0.14500037927904 0.73999563080851 15.999 > 37 39 O 0.48260709126018 0.64500037927904 0.73999563080851 15.999 > 37 40 O 0.98260709126018 0.64500037927904 0.73999563080851 15.999 > 37 41 O 0.16239328801886 0.01739290873982 0.73999563080851 15.999 > 41 42 O 0.66239328801886 0.01739290873982 0.73999563080851 15.999 > 41 43 O 0.16239328801886 0.51739290873982 0.73999563080851 15.999 > 41 44 O 0.66239328801886 0.51739290873982 0.73999563080851 15.999 > 41 45 O 0.31166704594570 0.49572662135219 0.92667103585815 15.999 > 45 46 O 0.81166704594570 0.49572662135219 0.92667103585815 15.999 > 45 47 O 0.31166704594570 0.99572662135219 0.92667103585815 15.999 > 45 48 O 0.81166704594570 0.99572662135219 0.92667103585815 15.999 > 45 49 O 0.01739290873982 0.35499962072096 0.26000436919149 15.999 > 25 50 O 0.51739290873982 0.35499962072096 0.26000436919149 15.999 > 25 51 O 0.01739290873982 0.85499962072096 0.26000436919149 15.999 > 25 52 O 0.51739290873982 0.85499962072096 0.26000436919149 15.999 > 25 53 O 0.33760671198114 0.48260709126018 0.26000436919149 15.999 > 29 54 O 0.83760671198114 0.48260709126018 0.26000436919149 15.999 > 29 55 O 0.33760671198114 0.98260709126018 0.26000436919149 15.999 > 29 56 O 0.83760671198114 0.98260709126018 0.26000436919149 15.999 > 29 57 O 0.18833295405430 0.00427337864781 0.07332896414185 15.999 > 33 58 O 0.68833295405430 0.00427337864781 0.07332896414185 15.999 > 33 59 O 0.18833295405430 0.50427337864781 0.07332896414185 15.999 > 33 60 O 0.68833295405430 0.50427337864781 0.07332896414185 15.999 > 33 61 O 0.31594042459351 0.31166704594570 0.07332896414185 15.999 > 37 62 O 0.81594042459351 0.31166704594570 0.07332896414185 15.999 > 37 63 O 0.31594042459351 0.81166704594570 0.07332896414185 15.999 > 37 64 O 0.81594042459351 0.81166704594570 0.07332896414185 15.999 > 37 65 O 0.49572662135219 0.18405957540649 0.07332896414185 15.999 > 41 66 O 0.99572662135219 0.18405957540649 0.07332896414185 15.999 > 41 67 O 0.49572662135219 0.68405957540649 0.07332896414185 15.999 > 41 68 O 0.99572662135219 0.68405957540649 0.07332896414185 15.999 > 41 69 O 0.14500037927904 0.16239328801886 0.26000436919149 15.999 > 45 70 O 0.64500037927904 0.16239328801886 0.26000436919149 15.999 > 45 71 O 0.14500037927904 0.66239328801886 0.26000436919149 15.999 > 45 72 O 0.64500037927904 0.66239328801886 0.26000436919149 15.999 > 45 73 O 0.35072624207315 0.02166628738763 0.59333770252482 15.999 > 25 74 O 0.85072624207315 0.02166628738763 0.59333770252482 15.999 > 25 75 O 0.35072624207315 0.52166628738763 0.59333770252482 15.999 > 25 76 O 0.85072624207315 0.52166628738763 0.59333770252482 15.999 > 25 77 O 0.17094004531448 0.14927375792685 0.59333770252482 15.999 > 29 78 O 0.67094004531448 0.14927375792685 0.59333770252482 15.999 > 29 79 O 0.17094004531448 0.64927375792685 0.59333770252482 15.999 > 29 80 O 0.67094004531448 0.64927375792685 0.59333770252482 15.999 > 29 81 O 0.02166628738763 0.17094004531448 0.40666229747518 15.999 > 33 82 O 0.52166628738763 0.17094004531448 0.40666229747518 15.999 > 33 83 O 0.02166628738763 0.67094004531448 0.40666229747518 15.999 > 33 84 O 0.52166628738763 0.67094004531448 0.40666229747518 15.999 > 33 85 O 0.14927375792685 0.47833371261237 0.40666229747518 15.999 > 37 86 O 0.64927375792685 0.47833371261237 0.40666229747518 15.999 > 37 87 O 0.14927375792685 0.97833371261237 0.40666229747518 15.999 > 37 88 O 0.64927375792685 0.97833371261237 0.40666229747518 15.999 > 37 89 O 0.32905995468552 0.35072624207315 0.40666229747518 15.999 > 41 90 O 0.82905995468552 0.35072624207315 0.40666229747518 15.999 > 41 91 O 0.32905995468552 0.85072624207315 0.40666229747518 15.999 > 41 92 O 0.82905995468552 0.85072624207315 0.40666229747518 15.999 > 41 93 O 0.47833371261237 0.32905995468552 0.59333770252482 15.999 > 45 94 O 0.97833371261237 0.32905995468552 0.59333770252482 15.999 > 45 95 O 0.47833371261237 0.82905995468552 0.59333770252482 15.999 > 45 96 O 0.97833371261237 0.82905995468552 0.59333770252482 15.999 > 45 97 As 0.33333333333333 0.16666666666667 0.67222878335931 74.922 > 97 98 As 0.83333333333333 0.16666666666667 0.67222878335931 74.922 > 97 99 As 0.33333333333333 0.66666666666667 0.67222878335931 74.922 > 97 100 As 0.83333333333333 0.66666666666667 0.67222878335931 74.922 > 97 101 As 0.33333333333333 0.16666666666667 0.99443788330736 74.922 > 101 102 As 0.83333333333333 0.16666666666667 0.99443788330736 74.922 > 101 103 As 0.33333333333333 0.66666666666667 0.99443788330736 74.922 > 101 104 As 0.83333333333333 0.66666666666667 0.99443788330736 74.922 > 101 105 As 0.16666666666667 0.33333333333333 0.00556211669264 74.922 > 97 106 As 0.66666666666667 0.33333333333333 0.00556211669264 74.922 > 97 107 As 0.16666666666667 0.83333333333333 0.00556211669264 74.922 > 97 108 As 0.66666666666667 0.83333333333333 0.00556211669264 74.922 > 97 109 As 0.16666666666667 0.33333333333333 0.32777121664069 74.922 > 101 110 As 0.66666666666667 0.33333333333333 0.32777121664069 74.922 > 101 111 As 0.16666666666667 0.83333333333333 0.32777121664069 74.922 > 101 112 As 0.66666666666667 0.83333333333333 0.32777121664069 74.922 > 101 113 As 0.00000000000000 0.00000000000000 0.33889545002598 74.922 > 97 114 As 0.50000000000000 0.00000000000000 0.33889545002598 74.922 > 97 115 As 0.00000000000000 0.50000000000000 0.33889545002598 74.922 > 97 116 As 0.50000000000000 0.50000000000000 0.33889545002598 74.922 > 97 117 As 0.00000000000000 0.00000000000000 0.66110454997402 74.922 > 101 118 As 0.50000000000000 0.00000000000000 0.66110454997402 74.922 > 101 119 As 0.00000000000000 0.50000000000000 0.66110454997402 74.922 > 101 120 As 0.50000000000000 0.50000000000000 0.66110454997402 74.922 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8492471 0.0001118 0.0000000 -0.0001118 3.8492471 0.0000000 0.0000000 0.0000000 3.0353047 -------------------------- Born effective charges -------------------------- 1 Li 1.0708113 -0.0359252 0.0000000 0.0359252 1.0708113 -0.0000000 -0.0000000 0.0000000 1.3930557 2 Li 1.0708113 -0.0359252 0.0000000 0.0359252 1.0708113 -0.0000000 -0.0000000 0.0000000 1.3930557 3 O -2.1835678 0.4327961 -0.0740227 0.4144514 -1.7417791 -0.1043920 -0.1811988 -0.1941349 -1.3528823 4 O -2.2190952 -0.3939396 -0.0533947 -0.4122844 -1.7062517 0.1163016 -0.0775264 0.2539902 -1.3528823 5 O -1.4853574 -0.0113394 0.1274175 -0.0296841 -2.4399895 -0.0119096 0.2587251 -0.0598553 -1.3528823 6 O -2.1835678 0.4327961 -0.0740227 0.4144514 -1.7417791 -0.1043920 -0.1811988 -0.1941349 -1.3528823 7 O -2.2190952 -0.3939396 -0.0533947 -0.4122844 -1.7062517 0.1163016 -0.0775264 0.2539902 -1.3528823 8 O -1.4853574 -0.0113394 0.1274175 -0.0296841 -2.4399895 -0.0119096 0.2587251 -0.0598553 -1.3528823 9 As 4.8172091 0.0084080 0.0000000 -0.0084080 4.8172091 -0.0000000 -0.0000000 0.0000000 2.6655912 10 As 4.8172091 0.0084080 0.0000000 -0.0084080 4.8172091 -0.0000000 -0.0000000 0.0000000 2.6655912 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xyx) 0.00000003 (xyx) 0.00000003 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:25:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:25:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.415149042304129 1.394386949707353 4.726328226666661 b -2.415149042304124 1.394386949707353 4.726328226666661 c 0.000000000000002 -2.788773899414709 4.726328226666661 Atomic positions (fractional): 1 Li 0.13391856154672 0.13391856154673 0.13391856154672 6.941 2 Li 0.86608143845328 0.86608143845328 0.86608143845328 6.941 3 O 0.29479018667113 0.93521779315377 0.55000512774956 15.999 4 O 0.93521779315377 0.55000512774956 0.29479018667113 15.999 5 O 0.44999487225044 0.70520981332887 0.06478220684623 15.999 6 O 0.70520981332887 0.06478220684623 0.44999487225044 15.999 7 O 0.06478220684623 0.44999487225044 0.70520981332887 15.999 8 O 0.55000512774956 0.29479018667113 0.93521779315377 15.999 9 As 0.33889545002598 0.33889545002598 0.33889545002598 74.922 10 As 0.66110454997402 0.66110454997403 0.66110454997403 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.660596169216506 0.000000000000000 0.000000000000000 b -4.830298084608252 8.366321698244125 0.000000000000000 c 0.000000000000000 0.000000000000000 14.178984679999999 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.80058522821339 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.80058522821339 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.80058522821339 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.80058522821339 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.86608143845328 6.941 > 5 6 Li 0.50000000000000 0.00000000000000 0.86608143845328 6.941 > 5 7 Li 0.00000000000000 0.50000000000000 0.86608143845328 6.941 > 5 8 Li 0.50000000000000 0.50000000000000 0.86608143845328 6.941 > 5 9 Li 0.00000000000000 0.00000000000000 0.13391856154672 6.941 > 1 10 Li 0.50000000000000 0.00000000000000 0.13391856154672 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.13391856154672 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.13391856154672 6.941 > 1 13 Li 0.33333333333333 0.16666666666667 0.19941477178661 6.941 > 5 14 Li 0.83333333333333 0.16666666666667 0.19941477178661 6.941 > 5 15 Li 0.33333333333333 0.66666666666667 0.19941477178661 6.941 > 5 16 Li 0.83333333333333 0.66666666666667 0.19941477178661 6.941 > 5 17 Li 0.33333333333333 0.16666666666667 0.46725189488006 6.941 > 1 18 Li 0.83333333333333 0.16666666666667 0.46725189488006 6.941 > 1 19 Li 0.33333333333333 0.66666666666667 0.46725189488006 6.941 > 1 20 Li 0.83333333333333 0.66666666666667 0.46725189488006 6.941 > 1 21 Li 0.16666666666667 0.33333333333333 0.53274810511994 6.941 > 5 22 Li 0.66666666666667 0.33333333333333 0.53274810511994 6.941 > 5 23 Li 0.16666666666667 0.83333333333333 0.53274810511994 6.941 > 5 24 Li 0.66666666666667 0.83333333333333 0.53274810511994 6.941 > 5 25 O 0.18405957540649 0.18833295405430 0.92667103585815 15.999 > 25 26 O 0.68405957540649 0.18833295405430 0.92667103585815 15.999 > 25 27 O 0.18405957540649 0.68833295405430 0.92667103585815 15.999 > 25 28 O 0.68405957540649 0.68833295405430 0.92667103585815 15.999 > 25 29 O 0.00427337864781 0.31594042459351 0.92667103585815 15.999 > 29 30 O 0.50427337864781 0.31594042459351 0.92667103585815 15.999 > 29 31 O 0.00427337864781 0.81594042459351 0.92667103585815 15.999 > 29 32 O 0.50427337864781 0.81594042459351 0.92667103585815 15.999 > 29 33 O 0.35499962072096 0.33760671198114 0.73999563080851 15.999 > 33 34 O 0.85499962072096 0.33760671198114 0.73999563080851 15.999 > 33 35 O 0.35499962072096 0.83760671198114 0.73999563080851 15.999 > 33 36 O 0.85499962072096 0.83760671198114 0.73999563080851 15.999 > 33 37 O 0.48260709126018 0.14500037927904 0.73999563080851 15.999 > 37 38 O 0.98260709126018 0.14500037927904 0.73999563080851 15.999 > 37 39 O 0.48260709126018 0.64500037927904 0.73999563080851 15.999 > 37 40 O 0.98260709126018 0.64500037927904 0.73999563080851 15.999 > 37 41 O 0.16239328801886 0.01739290873982 0.73999563080851 15.999 > 41 42 O 0.66239328801886 0.01739290873982 0.73999563080851 15.999 > 41 43 O 0.16239328801886 0.51739290873982 0.73999563080851 15.999 > 41 44 O 0.66239328801886 0.51739290873982 0.73999563080851 15.999 > 41 45 O 0.31166704594570 0.49572662135219 0.92667103585815 15.999 > 45 46 O 0.81166704594570 0.49572662135219 0.92667103585815 15.999 > 45 47 O 0.31166704594570 0.99572662135219 0.92667103585815 15.999 > 45 48 O 0.81166704594570 0.99572662135219 0.92667103585815 15.999 > 45 49 O 0.01739290873982 0.35499962072096 0.26000436919149 15.999 > 25 50 O 0.51739290873982 0.35499962072096 0.26000436919149 15.999 > 25 51 O 0.01739290873982 0.85499962072096 0.26000436919149 15.999 > 25 52 O 0.51739290873982 0.85499962072096 0.26000436919149 15.999 > 25 53 O 0.33760671198114 0.48260709126018 0.26000436919149 15.999 > 29 54 O 0.83760671198114 0.48260709126018 0.26000436919149 15.999 > 29 55 O 0.33760671198114 0.98260709126018 0.26000436919149 15.999 > 29 56 O 0.83760671198114 0.98260709126018 0.26000436919149 15.999 > 29 57 O 0.18833295405430 0.00427337864781 0.07332896414185 15.999 > 33 58 O 0.68833295405430 0.00427337864781 0.07332896414185 15.999 > 33 59 O 0.18833295405430 0.50427337864781 0.07332896414185 15.999 > 33 60 O 0.68833295405430 0.50427337864781 0.07332896414185 15.999 > 33 61 O 0.31594042459351 0.31166704594570 0.07332896414185 15.999 > 37 62 O 0.81594042459351 0.31166704594570 0.07332896414185 15.999 > 37 63 O 0.31594042459351 0.81166704594570 0.07332896414185 15.999 > 37 64 O 0.81594042459351 0.81166704594570 0.07332896414185 15.999 > 37 65 O 0.49572662135219 0.18405957540649 0.07332896414185 15.999 > 41 66 O 0.99572662135219 0.18405957540649 0.07332896414185 15.999 > 41 67 O 0.49572662135219 0.68405957540649 0.07332896414185 15.999 > 41 68 O 0.99572662135219 0.68405957540649 0.07332896414185 15.999 > 41 69 O 0.14500037927904 0.16239328801886 0.26000436919149 15.999 > 45 70 O 0.64500037927904 0.16239328801886 0.26000436919149 15.999 > 45 71 O 0.14500037927904 0.66239328801886 0.26000436919149 15.999 > 45 72 O 0.64500037927904 0.66239328801886 0.26000436919149 15.999 > 45 73 O 0.35072624207315 0.02166628738763 0.59333770252482 15.999 > 25 74 O 0.85072624207315 0.02166628738763 0.59333770252482 15.999 > 25 75 O 0.35072624207315 0.52166628738763 0.59333770252482 15.999 > 25 76 O 0.85072624207315 0.52166628738763 0.59333770252482 15.999 > 25 77 O 0.17094004531448 0.14927375792685 0.59333770252482 15.999 > 29 78 O 0.67094004531448 0.14927375792685 0.59333770252482 15.999 > 29 79 O 0.17094004531448 0.64927375792685 0.59333770252482 15.999 > 29 80 O 0.67094004531448 0.64927375792685 0.59333770252482 15.999 > 29 81 O 0.02166628738763 0.17094004531448 0.40666229747518 15.999 > 33 82 O 0.52166628738763 0.17094004531448 0.40666229747518 15.999 > 33 83 O 0.02166628738763 0.67094004531448 0.40666229747518 15.999 > 33 84 O 0.52166628738763 0.67094004531448 0.40666229747518 15.999 > 33 85 O 0.14927375792685 0.47833371261237 0.40666229747518 15.999 > 37 86 O 0.64927375792685 0.47833371261237 0.40666229747518 15.999 > 37 87 O 0.14927375792685 0.97833371261237 0.40666229747518 15.999 > 37 88 O 0.64927375792685 0.97833371261237 0.40666229747518 15.999 > 37 89 O 0.32905995468552 0.35072624207315 0.40666229747518 15.999 > 41 90 O 0.82905995468552 0.35072624207315 0.40666229747518 15.999 > 41 91 O 0.32905995468552 0.85072624207315 0.40666229747518 15.999 > 41 92 O 0.82905995468552 0.85072624207315 0.40666229747518 15.999 > 41 93 O 0.47833371261237 0.32905995468552 0.59333770252482 15.999 > 45 94 O 0.97833371261237 0.32905995468552 0.59333770252482 15.999 > 45 95 O 0.47833371261237 0.82905995468552 0.59333770252482 15.999 > 45 96 O 0.97833371261237 0.82905995468552 0.59333770252482 15.999 > 45 97 As 0.33333333333333 0.16666666666667 0.67222878335931 74.922 > 97 98 As 0.83333333333333 0.16666666666667 0.67222878335931 74.922 > 97 99 As 0.33333333333333 0.66666666666667 0.67222878335931 74.922 > 97 100 As 0.83333333333333 0.66666666666667 0.67222878335931 74.922 > 97 101 As 0.33333333333333 0.16666666666667 0.99443788330736 74.922 > 101 102 As 0.83333333333333 0.16666666666667 0.99443788330736 74.922 > 101 103 As 0.33333333333333 0.66666666666667 0.99443788330736 74.922 > 101 104 As 0.83333333333333 0.66666666666667 0.99443788330736 74.922 > 101 105 As 0.16666666666667 0.33333333333333 0.00556211669264 74.922 > 97 106 As 0.66666666666667 0.33333333333333 0.00556211669264 74.922 > 97 107 As 0.16666666666667 0.83333333333333 0.00556211669264 74.922 > 97 108 As 0.66666666666667 0.83333333333333 0.00556211669264 74.922 > 97 109 As 0.16666666666667 0.33333333333333 0.32777121664069 74.922 > 101 110 As 0.66666666666667 0.33333333333333 0.32777121664069 74.922 > 101 111 As 0.16666666666667 0.83333333333333 0.32777121664069 74.922 > 101 112 As 0.66666666666667 0.83333333333333 0.32777121664069 74.922 > 101 113 As 0.00000000000000 0.00000000000000 0.33889545002598 74.922 > 97 114 As 0.50000000000000 0.00000000000000 0.33889545002598 74.922 > 97 115 As 0.00000000000000 0.50000000000000 0.33889545002598 74.922 > 97 116 As 0.50000000000000 0.50000000000000 0.33889545002598 74.922 > 97 117 As 0.00000000000000 0.00000000000000 0.66110454997402 74.922 > 101 118 As 0.50000000000000 0.00000000000000 0.66110454997402 74.922 > 101 119 As 0.00000000000000 0.50000000000000 0.66110454997402 74.922 > 101 120 As 0.50000000000000 0.50000000000000 0.66110454997402 74.922 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8492471 0.0001118 0.0000000 -0.0001118 3.8492471 0.0000000 0.0000000 0.0000000 3.0353047 -------------------------- Born effective charges -------------------------- 1 Li 1.0708113 -0.0359252 0.0000000 0.0359252 1.0708113 -0.0000000 -0.0000000 0.0000000 1.3930557 2 Li 1.0708113 -0.0359252 0.0000000 0.0359252 1.0708113 -0.0000000 -0.0000000 0.0000000 1.3930557 3 O -2.1835678 0.4327961 -0.0740227 0.4144514 -1.7417791 -0.1043920 -0.1811988 -0.1941349 -1.3528823 4 O -2.2190952 -0.3939396 -0.0533947 -0.4122844 -1.7062517 0.1163016 -0.0775264 0.2539902 -1.3528823 5 O -1.4853574 -0.0113394 0.1274175 -0.0296841 -2.4399895 -0.0119096 0.2587251 -0.0598553 -1.3528823 6 O -2.1835678 0.4327961 -0.0740227 0.4144514 -1.7417791 -0.1043920 -0.1811988 -0.1941349 -1.3528823 7 O -2.2190952 -0.3939396 -0.0533947 -0.4122844 -1.7062517 0.1163016 -0.0775264 0.2539902 -1.3528823 8 O -1.4853574 -0.0113394 0.1274175 -0.0296841 -2.4399895 -0.0119096 0.2587251 -0.0598553 -1.3528823 9 As 4.8172091 0.0084080 0.0000000 -0.0084080 4.8172091 -0.0000000 -0.0000000 0.0000000 2.6655912 10 As 4.8172091 0.0084080 0.0000000 -0.0084080 4.8172091 -0.0000000 -0.0000000 0.0000000 2.6655912 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xyx) 0.00000003 (xyx) 0.00000003 (xxy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 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: 0.91, Number of G-points: 297, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 8.185 ( 0.000 0.000 0.000) 0.000 9.449 ( 0.000 0.000 0.000) 0.000 9.449 ( 0.000 0.000 0.000) 0.000 9.494 ( 0.000 0.000 0.000) 0.000 10.595 ( 0.000 0.000 0.000) 0.000 10.595 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 10.809 ( 0.000 0.000 0.000) 0.000 11.268 ( 0.000 0.000 0.000) 0.000 11.737 ( 0.000 0.000 0.000) 0.000 12.477 ( 0.000 0.000 0.000) 0.000 12.477 ( 0.000 0.000 0.000) 0.000 14.936 ( 0.000 0.000 0.000) 0.000 14.936 ( 0.000 0.000 0.000) 0.000 15.598 ( 0.000 0.000 0.000) 0.000 15.598 ( 0.000 0.000 0.000) 0.000 17.501 ( 0.000 0.000 0.000) 0.000 17.501 ( 0.000 0.000 0.000) 0.000 18.227 ( 0.000 0.000 0.000) 0.000 19.145 ( 0.000 0.000 0.000) 0.000 20.124 ( 0.000 0.000 0.000) 0.000 20.774 ( 0.000 0.000 0.000) 0.000 21.281 ( 0.000 0.000 0.000) 0.000 21.281 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 15.405 5.019 27.757) 32.140 0.885 ( 39.472 18.839 0.308) 43.739 1.650 ( 68.242 42.511 3.994) 80.499 5.848 ( -3.226 -1.889 -1.145) 3.910 8.036 ( -12.011 -1.625 11.715) 16.856 8.177 ( 0.226 1.763 -5.609) 5.884 8.414 ( 7.820 -3.780 12.458) 15.187 9.125 ( -16.330 -11.503 4.072) 20.386 9.357 ( -12.106 -2.711 1.446) 12.490 9.702 ( 6.093 1.262 1.266) 6.350 10.457 ( -13.974 -0.577 1.020) 14.023 10.666 ( 6.384 -1.959 5.885) 8.901 10.838 ( 4.081 0.835 -3.734) 5.594 11.324 ( 6.092 4.000 -7.952) 10.786 11.719 ( -1.899 -0.788 1.389) 2.481 12.438 ( -4.183 1.593 -2.481) 5.118 12.482 ( 0.653 -1.838 2.544) 3.206 13.150 ( 4.292 1.485 4.918) 6.695 14.933 ( -3.666 4.997 0.983) 6.275 15.038 ( 11.049 0.171 -0.219) 11.052 15.575 ( -1.164 -1.283 -1.469) 2.271 17.424 ( 0.398 -0.420 -1.519) 1.626 17.541 ( 3.048 2.414 0.899) 3.991 18.244 ( 1.608 0.931 -1.163) 2.192 18.943 ( 7.169 4.240 -46.954) 47.687 20.083 ( 5.731 3.280 -16.593) 17.858 20.777 ( -0.401 -0.249 2.162) 2.213 21.231 ( -1.834 -5.238 -1.623) 5.782 21.278 ( 0.375 -0.858 -0.644) 1.136 22.159 ( -5.875 1.209 11.522) 12.990 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 20.568 10.803 23.287) 32.894 1.725 ( 36.384 17.049 0.427) 40.183 3.221 ( 63.585 39.024 2.756) 74.656 5.730 ( -5.960 -3.792 -2.012) 7.345 7.907 ( -7.977 -1.150 7.379) 10.927 8.172 ( 1.630 3.274 -9.441) 10.125 8.511 ( 2.775 -4.506 -5.632) 7.728 8.810 ( -10.756 -10.454 16.325) 22.170 9.061 ( -17.623 -5.438 3.137) 18.708 9.710 ( -5.725 -3.371 2.318) 7.037 10.188 ( -13.945 -3.551 2.477) 14.602 10.786 ( 4.901 -6.553 11.607) 14.201 10.937 ( 8.285 4.613 -8.110) 12.478 11.386 ( 2.087 2.994 -9.974) 10.621 11.684 ( -2.879 0.520 2.253) 3.693 12.361 ( -6.211 5.817 -3.365) 9.151 12.487 ( 1.406 -3.882 2.103) 4.633 13.317 ( 9.572 2.447 3.526) 10.490 14.916 ( -7.412 9.369 0.746) 11.969 15.246 ( 12.987 -9.353 1.124) 16.043 15.567 ( 3.412 6.253 -2.907) 7.694 17.427 ( 2.036 -0.004 -2.673) 3.360 17.662 ( 5.871 4.240 2.239) 7.580 18.272 ( 1.242 0.912 -2.278) 2.750 18.788 ( -3.687 -1.961 -18.479) 18.945 20.126 ( 4.480 2.353 -9.305) 10.592 20.779 ( -0.711 -0.617 3.466) 3.592 21.117 ( -2.032 -7.187 -2.466) 7.866 21.270 ( 0.900 -1.698 -1.398) 2.376 22.112 ( -7.794 3.031 4.435) 9.466 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 24.983 16.413 18.779) 35.301 2.465 ( 30.663 13.797 0.525) 33.628 4.613 ( 53.413 32.347 1.527) 62.463 5.546 ( -7.451 -6.125 -3.344) 10.209 7.804 ( -5.805 -3.079 2.941) 7.199 8.197 ( 3.323 5.651 -10.917) 12.734 8.382 ( -4.559 -0.627 -7.096) 8.458 8.641 ( -14.217 -10.040 8.966) 19.579 8.832 ( -3.838 -4.055 13.059) 14.203 9.468 ( -16.582 -6.268 2.916) 17.965 9.979 ( -6.303 -8.269 5.178) 11.616 10.831 ( -0.114 -6.546 10.740) 12.578 11.055 ( 6.234 -0.894 -6.509) 9.057 11.356 ( -1.205 2.777 -8.294) 8.830 11.669 ( -2.893 5.873 0.898) 6.608 12.309 ( -7.246 8.389 -1.527) 11.190 12.476 ( 3.983 -6.308 -2.886) 7.999 13.552 ( 11.537 2.798 3.425) 12.355 14.860 ( -11.532 11.571 -1.002) 16.367 15.221 ( 2.570 -16.805 1.522) 17.068 15.867 ( 17.890 12.249 -1.249) 21.717 17.465 ( 4.588 0.485 -5.461) 7.148 17.843 ( 7.520 5.314 2.808) 9.627 18.263 ( -1.303 0.502 -4.264) 4.487 18.581 ( -8.157 -4.963 -2.942) 9.991 20.157 ( 2.505 0.626 -7.259) 7.705 20.787 ( 0.309 -0.536 3.520) 3.574 21.012 ( -0.679 -5.562 -2.045) 5.964 21.259 ( 1.674 -2.574 -2.400) 3.897 21.996 ( -11.037 2.671 1.358) 11.437 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 26.348 19.685 14.785) 36.060 3.044 ( 22.423 9.181 0.631) 24.238 5.188 ( -12.094 -8.159 -1.877) 14.709 5.803 ( 40.765 21.380 -2.175) 46.082 7.679 ( -4.800 -2.974 -1.453) 5.831 8.228 ( -0.348 -0.835 -7.624) 7.677 8.302 ( -10.680 5.768 1.710) 12.258 8.430 ( 2.862 0.437 -3.958) 4.904 8.757 ( -13.065 -4.193 6.346) 15.118 9.214 ( -1.159 -8.987 10.668) 13.997 9.843 ( -4.035 -9.524 8.210) 13.206 10.734 ( -10.982 -3.990 4.317) 12.456 11.080 ( 6.857 -9.646 0.719) 11.857 11.322 ( -3.674 6.984 -5.729) 9.752 11.731 ( 0.680 9.231 -0.614) 9.276 12.209 ( -10.882 3.438 -1.192) 11.475 12.494 ( 7.485 -4.410 -6.092) 10.610 13.787 ( 10.022 2.551 2.438) 10.625 14.732 ( -12.992 7.871 -2.199) 15.349 15.112 ( 1.275 -12.365 1.907) 12.576 16.318 ( 19.566 11.358 0.415) 22.628 17.519 ( 5.920 -0.547 -7.697) 9.725 18.041 ( 7.389 5.240 -0.411) 9.067 18.175 ( -6.421 0.858 -4.517) 7.897 18.406 ( -7.011 -6.173 9.141) 13.070 20.130 ( -0.428 -1.730 -5.620) 5.896 20.839 ( 3.395 1.134 3.060) 4.709 20.962 ( 0.487 -2.835 -0.688) 2.958 21.249 ( 2.924 -3.714 -3.919) 6.141 21.805 ( -13.835 1.876 -0.073) 13.961 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 19.811 16.533 9.186) 27.389 3.443 ( 15.979 6.470 2.042) 17.360 4.773 ( -17.965 -13.643 -4.919) 23.089 6.600 ( 29.064 15.645 0.990) 33.023 7.590 ( -1.518 -1.405 -1.740) 2.702 8.017 ( -13.893 -6.886 -5.058) 16.310 8.219 ( -2.223 0.203 -0.649) 2.325 8.408 ( -13.613 -1.324 2.395) 13.885 8.627 ( 5.738 7.634 -4.639) 10.617 9.373 ( 15.462 -3.921 4.615) 16.605 9.764 ( -2.050 -6.576 15.354) 16.828 10.452 ( -16.326 -3.854 -2.114) 16.907 11.122 ( 5.349 -7.388 4.351) 10.106 11.316 ( -2.267 8.389 -3.592) 9.403 11.828 ( 1.747 4.866 -0.173) 5.173 12.011 ( -10.259 -0.795 -3.842) 10.984 12.554 ( 5.500 -1.661 -3.593) 6.776 13.958 ( 5.777 1.521 0.925) 6.045 14.579 ( -8.364 2.692 -1.263) 8.877 15.045 ( 0.261 -5.580 1.087) 5.691 16.724 ( 13.951 8.491 0.945) 16.359 17.562 ( 5.425 -2.252 -6.017) 8.409 17.996 ( -7.416 -1.140 -4.971) 9.000 18.206 ( 2.032 6.865 -0.640) 7.188 18.327 ( -2.268 -5.772 10.958) 12.591 20.064 ( -1.337 -1.967 -3.233) 4.014 20.925 ( 1.634 0.018 0.123) 1.639 20.989 ( 4.009 2.258 4.160) 6.203 21.242 ( 5.252 -5.556 -6.417) 9.981 21.573 ( -14.477 1.856 0.478) 14.603 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.325 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 7.017 ( 0.000 0.000 0.000) 0.000 7.583 ( 0.000 -0.000 0.000) 0.000 7.722 ( -0.000 0.000 0.000) 0.000 8.212 ( -0.000 0.000 0.000) 0.000 8.280 ( 0.000 -0.000 -0.000) 0.000 8.721 ( 0.000 0.000 -0.000) 0.000 9.507 ( 0.000 -0.000 0.000) 0.000 9.849 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 11.145 ( 0.000 0.000 0.000) 0.000 11.344 ( 0.000 -0.000 0.000) 0.000 11.874 ( 0.000 -0.000 0.000) 0.000 11.878 ( -0.000 0.000 -0.000) 0.000 12.586 ( 0.000 0.000 0.000) 0.000 14.018 ( 0.000 0.000 0.000) 0.000 14.513 ( 0.000 -0.000 0.000) 0.000 15.022 ( 0.000 0.000 0.000) 0.000 16.907 ( 0.000 0.000 0.000) 0.000 17.587 ( -0.000 -0.000 0.000) 0.000 17.889 ( 0.000 0.000 0.000) 0.000 18.247 ( 0.000 0.000 0.000) 0.000 18.324 ( 0.000 0.000 0.000) 0.000 20.029 ( 0.000 0.000 0.000) 0.000 20.931 ( 0.000 0.000 0.000) 0.000 21.087 ( 0.000 -0.000 -0.000) 0.000 21.246 ( 0.000 0.000 0.000) 0.000 21.422 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 5.682 12.107 39.703) 41.895 0.953 ( -16.317 41.962 8.027) 45.732 1.633 ( 7.026 79.581 2.220) 79.921 5.840 ( -0.027 -4.086 -1.368) 4.309 8.069 ( 4.045 -10.031 4.074) 11.558 8.188 ( 5.731 2.206 -4.351) 7.526 8.479 ( -11.567 -13.624 21.703) 28.115 9.172 ( -3.262 -17.138 8.907) 19.588 9.385 ( 6.699 -11.563 5.029) 14.278 9.688 ( -4.612 4.556 -0.158) 6.485 10.462 ( 10.131 -12.495 0.992) 16.117 10.602 ( -2.906 -0.599 -0.425) 2.997 10.945 ( -5.570 8.438 7.807) 12.774 11.318 ( 0.713 12.287 -8.165) 14.770 11.729 ( 0.553 -2.014 2.083) 2.950 12.381 ( -2.693 -6.500 -5.439) 8.893 12.534 ( 4.251 2.564 4.967) 7.022 13.148 ( -0.174 -0.272 4.270) 4.282 14.909 ( -0.722 -1.552 -1.610) 2.350 15.037 ( 3.214 9.167 -0.257) 9.717 15.588 ( -2.734 -0.650 -0.044) 2.811 17.406 ( -1.373 2.706 -5.056) 5.897 17.547 ( 1.561 3.705 1.589) 4.323 18.225 ( -0.005 3.328 -6.968) 7.722 18.570 ( -0.359 37.801 -69.299) 78.939 20.008 ( -0.162 9.627 -11.680) 15.137 20.788 ( 0.017 0.248 1.520) 1.540 21.230 ( -5.063 -4.089 -1.477) 6.674 21.266 ( -0.722 -1.190 -0.450) 1.462 22.230 ( 5.316 -9.008 12.163) 16.042 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 1.736 19.995 33.931) 39.423 1.463 ( 22.268 36.179 0.114) 42.482 2.846 ( 38.774 63.131 4.920) 74.250 5.751 ( -3.262 -5.851 -2.082) 7.015 8.052 ( 1.905 -7.589 2.513) 8.219 8.169 ( -12.907 1.058 3.579) 13.436 8.342 ( 7.054 -3.136 -9.429) 12.186 8.961 ( -8.816 -12.503 14.956) 21.395 9.281 ( -10.177 -13.197 9.432) 19.150 9.643 ( 1.647 -5.868 -2.581) 6.619 10.450 ( -11.325 -9.227 6.290) 15.904 10.613 ( 15.465 -6.424 -0.751) 16.763 10.891 ( -10.072 8.859 2.543) 13.653 11.411 ( -0.495 11.536 -7.923) 14.004 11.733 ( -0.298 -0.329 3.778) 3.804 12.243 ( 2.729 -11.713 -5.804) 13.354 12.657 ( -1.952 8.636 5.990) 10.690 13.226 ( 5.222 3.335 1.149) 6.302 14.913 ( 6.335 -6.684 1.756) 9.375 15.233 ( 0.117 17.206 -1.108) 17.242 15.501 ( -0.108 -3.004 -3.864) 4.896 17.384 ( -0.268 1.079 -4.215) 4.359 17.666 ( 3.738 7.072 3.641) 8.788 18.231 ( 2.105 1.782 -7.241) 7.748 18.613 ( 6.144 10.212 -31.920) 34.073 20.058 ( 2.137 6.982 -8.301) 11.055 20.800 ( -0.133 -0.520 2.925) 2.974 21.062 ( -4.315 -6.712 -4.309) 9.068 21.233 ( -0.563 -2.780 0.016) 2.836 22.258 ( -1.646 -3.129 6.752) 7.621 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 12.555 22.951 27.737) 38.127 2.223 ( 24.622 31.733 -0.224) 40.165 4.145 ( 43.924 46.429 2.595) 63.966 5.585 ( -6.574 -7.754 -2.815) 10.548 7.928 ( -9.758 -6.226 5.535) 12.830 8.081 ( 3.849 0.388 -9.124) 9.911 8.371 ( 2.337 3.648 -9.289) 10.249 8.842 ( -6.837 -8.554 17.776) 20.878 8.956 ( -13.968 -12.717 8.198) 20.592 9.552 ( -3.077 -10.781 -1.512) 11.313 10.127 ( -15.300 -12.739 8.535) 21.662 10.808 ( 6.237 -1.205 5.994) 8.733 10.869 ( 4.735 0.052 -5.490) 7.250 11.399 ( -4.915 5.835 -7.241) 10.518 11.757 ( -1.414 4.019 0.082) 4.261 12.195 ( 8.286 -9.878 -4.267) 13.581 12.676 ( -11.146 11.333 3.550) 16.287 13.405 ( 10.128 3.162 2.620) 10.929 14.965 ( 7.397 -12.498 2.454) 14.729 15.210 ( -14.121 10.677 -1.715) 17.786 15.669 ( 16.574 8.903 -4.470) 19.338 17.372 ( 1.317 0.350 -5.123) 5.301 17.845 ( 4.217 9.582 3.585) 11.066 18.238 ( 1.856 0.664 -6.120) 6.430 18.585 ( -0.587 0.165 -9.697) 9.717 20.105 ( 1.348 4.340 -6.507) 7.937 20.794 ( -0.972 -3.163 3.617) 4.902 20.935 ( 0.254 -4.315 -5.787) 7.223 21.194 ( 0.068 -3.615 -0.920) 3.731 22.191 ( -6.937 -1.355 3.211) 7.763 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 18.790 24.639 22.546) 38.321 2.900 ( 17.981 29.208 -0.244) 34.300 5.239 ( 23.298 17.941 3.724) 29.641 5.355 ( 6.485 0.610 -7.195) 9.705 7.753 ( -6.926 -2.373 0.371) 7.330 8.116 ( 4.810 -0.225 -7.828) 9.191 8.414 ( -0.374 2.553 -5.796) 6.344 8.552 ( -13.575 -4.566 7.265) 16.059 8.875 ( -0.892 -7.361 12.732) 14.734 9.269 ( -12.859 -11.756 -2.424) 17.590 9.872 ( -5.484 -13.501 13.383) 19.786 10.876 ( 0.426 2.428 5.512) 6.038 10.905 ( 0.911 -6.531 -4.011) 7.718 11.352 ( 0.572 2.675 -3.624) 4.541 11.740 ( -0.441 1.493 -8.611) 8.750 12.279 ( 8.437 -2.740 0.347) 8.877 12.544 ( -15.917 9.070 -0.345) 18.323 13.641 ( 11.125 2.603 2.951) 11.800 14.871 ( -2.439 -15.763 -1.147) 15.991 15.115 ( -7.731 10.523 0.725) 13.078 16.084 ( 20.481 11.931 -2.573) 23.842 17.374 ( 3.065 -0.947 -6.570) 7.311 17.998 ( 2.895 4.453 -2.690) 5.954 18.259 ( -0.124 6.639 0.340) 6.649 18.505 ( -4.685 -3.007 4.427) 7.113 20.103 ( -0.783 1.082 -5.102) 5.274 20.774 ( 3.154 -4.013 -0.649) 5.145 20.912 ( 1.765 -0.761 -1.700) 2.566 21.153 ( 0.662 -4.005 -2.206) 4.620 22.034 ( -10.710 -1.440 0.803) 10.837 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 18.111 23.130 16.876) 33.879 3.407 ( 9.016 26.520 0.569) 28.017 4.928 ( -17.382 -12.393 -3.813) 21.686 6.155 ( 36.593 13.882 -0.690) 39.143 7.635 ( -6.178 -1.036 -1.061) 6.354 8.104 ( -5.773 -3.302 -2.620) 7.148 8.160 ( -3.098 -14.030 0.280) 14.371 8.585 ( -2.920 -2.946 -3.763) 5.601 8.741 ( -10.909 11.540 -2.061) 16.013 9.125 ( 9.777 -8.211 5.792) 14.020 9.807 ( -0.472 -7.257 15.901) 17.486 10.705 ( -13.974 -3.797 -1.104) 14.523 10.968 ( 5.256 -1.381 4.850) 7.284 11.411 ( 1.381 5.844 -2.215) 6.400 11.697 ( 5.084 -5.171 -11.567) 13.652 12.220 ( -14.413 -0.033 -4.338) 15.052 12.501 ( 2.973 6.595 3.891) 8.214 13.851 ( 8.760 1.609 1.574) 9.045 14.638 ( -5.149 -13.252 -1.646) 14.313 15.111 ( -5.063 8.789 0.820) 10.176 16.542 ( 19.109 11.049 -0.708) 22.085 17.380 ( 4.708 -3.550 -6.306) 8.633 17.980 ( -0.478 -3.282 -7.445) 8.150 18.363 ( -3.675 12.359 4.047) 13.514 18.431 ( -5.223 -1.975 11.719) 12.981 20.055 ( -1.491 -0.262 -3.440) 3.759 20.825 ( 7.421 -2.912 -3.976) 8.908 20.952 ( 3.247 0.515 2.398) 4.069 21.109 ( 0.681 -3.871 -3.300) 5.132 21.815 ( -12.536 -1.695 -0.290) 12.653 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( -1.013 12.846 5.399) 13.972 3.811 ( 4.955 22.879 4.633) 23.863 4.497 ( -12.616 -6.807 -2.471) 14.546 6.822 ( 26.966 5.154 1.415) 27.491 7.435 ( -5.613 -14.571 -2.253) 15.776 7.874 ( -10.077 -0.286 -1.876) 10.254 8.100 ( 3.744 -6.936 -2.738) 8.345 8.360 ( -5.767 -6.956 2.928) 9.498 8.773 ( -2.664 3.821 0.415) 4.676 9.359 ( 14.365 6.117 -5.279) 16.481 9.888 ( 2.356 0.422 13.216) 13.431 10.378 ( -18.190 -0.824 -2.221) 18.343 11.061 ( 4.191 -3.538 3.986) 6.780 11.445 ( -4.294 8.811 -5.466) 11.223 11.687 ( 9.153 -10.865 -6.670) 15.695 11.956 ( -9.174 -0.327 -3.507) 9.827 12.644 ( 1.082 6.475 6.250) 9.064 13.980 ( 4.348 0.049 0.202) 4.353 14.448 ( -0.735 -11.823 -0.814) 11.874 15.123 ( -4.448 9.867 0.126) 10.824 16.884 ( 7.386 6.654 0.044) 9.942 17.413 ( 9.236 -5.942 -3.270) 11.459 17.885 ( -0.906 -2.623 -6.398) 6.974 18.332 ( -6.230 -2.451 9.975) 12.013 18.464 ( -6.764 12.125 3.023) 14.209 20.031 ( 0.153 1.226 -0.941) 1.553 20.884 ( 4.872 -2.041 -4.667) 7.049 21.049 ( 2.423 -5.377 -3.745) 6.986 21.098 ( 7.072 2.356 4.334) 8.623 21.586 ( -11.563 -1.280 0.078) 11.633 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( -22.303 -6.883 -2.007) 23.427 3.784 ( -20.354 11.851 -1.814) 23.622 4.651 ( 15.671 14.070 5.570) 21.785 6.806 ( -16.659 -18.286 -1.571) 24.786 7.506 ( 16.949 -3.793 0.341) 17.371 7.818 ( 6.639 3.972 1.552) 7.890 8.086 ( 3.776 -7.615 -2.263) 8.796 8.345 ( 3.789 2.288 4.146) 6.065 8.705 ( -5.783 -3.346 3.093) 7.363 9.582 ( 4.361 4.028 -0.613) 5.969 9.780 ( -17.411 2.721 -12.544) 21.631 10.308 ( 8.100 9.686 1.595) 12.727 11.071 ( 3.126 -9.600 2.399) 10.377 11.395 ( -5.794 9.500 -6.660) 12.968 11.667 ( 5.246 -13.565 -3.309) 14.916 11.941 ( 3.783 4.020 2.287) 5.975 12.722 ( -3.898 5.393 8.160) 10.529 13.997 ( -1.253 -2.116 -0.737) 2.567 14.383 ( 6.123 -10.005 0.206) 11.732 15.162 ( -2.921 11.297 -0.632) 11.686 16.862 ( -9.943 -3.778 -0.491) 10.648 17.543 ( 9.496 -3.989 0.671) 10.322 17.878 ( 5.644 0.502 -2.400) 6.153 18.260 ( -4.803 -2.019 6.322) 8.193 18.430 ( -9.816 9.917 -2.096) 14.110 20.079 ( 2.022 3.355 2.168) 4.477 20.895 ( 2.266 -3.307 -5.452) 6.768 20.993 ( -1.135 -1.013 -2.132) 2.619 21.314 ( 11.737 -2.438 0.868) 12.019 21.423 ( -6.472 2.191 4.748) 8.321 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -31.326 -13.224 -5.347) 34.420 3.483 ( -27.509 9.899 -1.601) 29.279 5.069 ( 13.402 9.775 3.093) 16.873 6.205 ( -28.301 -21.278 -0.936) 35.420 7.656 ( 4.416 4.150 2.143) 6.428 8.050 ( 9.225 -10.974 1.516) 14.417 8.145 ( 12.897 0.010 4.559) 13.679 8.535 ( 10.816 3.624 -1.772) 11.544 8.583 ( -7.518 2.029 5.941) 9.794 9.304 ( -15.561 2.486 -15.654) 22.212 9.782 ( 7.424 2.824 -4.215) 8.992 10.602 ( 10.116 13.688 -5.799) 17.981 11.054 ( 6.645 -13.458 4.374) 15.633 11.394 ( -4.447 14.212 -2.952) 15.181 11.582 ( 2.407 -13.831 0.050) 14.039 12.072 ( 5.178 1.464 0.482) 5.403 12.724 ( -7.157 4.777 9.472) 12.797 13.886 ( -6.494 -4.568 -2.137) 8.222 14.453 ( 10.881 -7.771 1.641) 13.471 15.240 ( -0.733 11.699 -1.276) 11.791 16.539 ( -18.189 -8.269 -1.149) 20.014 17.596 ( 0.213 -4.711 4.242) 6.343 18.042 ( 9.782 1.448 0.801) 9.921 18.187 ( -6.900 -0.172 4.790) 8.402 18.352 ( -2.999 7.175 -7.447) 10.767 20.173 ( 1.702 3.749 4.718) 6.262 20.830 ( -0.768 -3.566 -5.425) 6.538 20.991 ( 0.282 2.893 -0.464) 2.944 21.297 ( -0.135 -3.570 -3.859) 5.259 21.601 ( 10.069 2.066 8.705) 13.470 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -32.499 -10.833 -6.196) 34.813 2.990 ( -35.677 3.312 -2.423) 35.912 5.145 ( -27.333 -12.930 -0.867) 30.250 5.553 ( -9.513 -3.515 1.969) 10.331 7.761 ( 1.816 3.552 -1.463) 4.249 8.146 ( 7.598 -8.410 10.991) 15.789 8.328 ( 6.690 0.785 5.287) 8.563 8.544 ( 4.310 2.703 -1.550) 5.319 8.738 ( 2.971 7.637 -9.090) 12.238 9.203 ( 10.850 3.289 -10.571) 15.501 9.914 ( 7.911 -0.060 -0.498) 7.927 10.796 ( 3.348 11.167 -11.916) 16.670 11.062 ( 4.978 -13.412 5.208) 15.224 11.471 ( -5.162 9.314 8.913) 13.887 11.531 ( 5.794 -2.686 -2.337) 6.801 12.129 ( 3.873 -2.989 -3.400) 5.958 12.694 ( -7.813 4.398 8.771) 12.543 13.676 ( -9.404 -5.903 -2.989) 11.499 14.593 ( 10.781 -5.108 2.240) 12.139 15.351 ( 1.686 10.073 -1.462) 10.318 16.100 ( -21.307 -8.553 -1.168) 22.989 17.538 ( -3.298 -4.381 3.269) 6.385 17.987 ( -12.030 1.434 -1.469) 12.204 18.244 ( 3.791 -1.282 7.019) 8.080 18.447 ( 10.984 5.708 -5.065) 13.375 20.241 ( -1.261 1.964 5.780) 6.233 20.768 ( -0.120 -1.153 -4.224) 4.380 21.045 ( 1.728 4.957 -0.524) 5.276 21.252 ( 2.004 -3.830 -5.094) 6.680 21.827 ( 8.424 0.653 8.193) 11.769 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -30.360 -6.628 -5.093) 31.489 2.311 ( -41.178 -0.923 -4.259) 41.408 4.081 ( -64.116 -15.879 0.398) 66.054 5.648 ( 7.571 1.700 0.684) 7.790 7.808 ( 3.048 1.532 -1.284) 3.645 8.181 ( 0.177 -6.126 7.911) 10.008 8.525 ( 9.590 0.447 7.725) 12.323 8.710 ( -2.669 8.183 -17.726) 19.706 8.800 ( 17.759 4.977 -0.470) 18.449 9.474 ( 17.331 1.501 -2.357) 17.555 10.056 ( 9.342 -1.968 3.522) 10.175 10.805 ( -2.008 1.965 -9.919) 10.309 10.996 ( -1.801 -6.478 0.628) 6.753 11.541 ( -0.890 5.104 9.951) 11.219 11.611 ( 0.269 1.922 -0.432) 1.988 12.166 ( 7.104 -0.119 -4.586) 8.457 12.641 ( -7.113 1.554 6.421) 9.707 13.430 ( -9.777 -5.618 -2.727) 11.601 14.737 ( 7.589 -0.397 2.187) 7.908 15.468 ( 3.918 3.633 -1.097) 5.455 15.648 ( -21.421 -4.935 -1.126) 22.011 17.463 ( -2.465 -1.859 0.312) 3.104 17.782 ( -11.009 -0.395 0.128) 11.017 18.287 ( 0.086 -0.336 1.566) 1.604 18.711 ( 13.440 2.626 3.258) 14.076 20.236 ( -3.804 0.355 4.867) 6.188 20.750 ( 0.884 0.016 -2.875) 3.008 21.139 ( 2.949 5.953 -0.998) 6.718 21.223 ( 3.401 -4.426 -6.770) 8.775 21.995 ( 5.096 0.054 7.988) 9.476 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -26.118 -3.473 2.673) 26.483 1.538 ( -43.817 1.997 -6.852) 44.395 2.775 ( -76.045 -0.168 2.940) 76.102 5.779 ( 6.129 -0.029 -0.189) 6.132 7.902 ( 5.756 0.480 4.040) 7.049 8.176 ( 0.228 -0.517 2.384) 2.450 8.517 ( -8.202 -0.614 -7.528) 11.149 8.836 ( 17.922 0.203 -3.355) 18.234 9.154 ( 16.052 0.822 4.424) 16.671 9.688 ( 5.613 1.589 -2.822) 6.480 10.273 ( 13.807 -2.349 9.401) 16.868 10.686 ( -3.857 -4.616 -2.624) 6.562 10.918 ( -4.285 4.089 -6.270) 8.625 11.495 ( -9.818 -0.039 0.600) 9.837 11.667 ( 4.151 0.025 1.787) 4.520 12.323 ( 7.701 6.734 -2.332) 10.492 12.553 ( -4.910 -4.714 4.594) 8.212 13.223 ( -7.663 -1.810 -0.855) 7.920 14.876 ( 3.724 5.707 2.532) 7.270 15.243 ( -14.587 -9.177 -0.136) 17.235 15.557 ( 0.954 4.281 -2.412) 5.006 17.427 ( -0.530 0.346 -1.390) 1.527 17.621 ( -7.314 -0.472 1.355) 7.454 18.274 ( -1.637 0.025 0.043) 1.638 18.956 ( 10.705 0.001 0.395) 10.713 20.189 ( -3.500 0.003 0.107) 3.502 20.757 ( 0.941 0.006 -0.373) 1.012 21.200 ( 4.040 -3.735 -8.237) 9.905 21.234 ( 2.503 3.867 -1.087) 4.733 22.102 ( 1.921 -0.128 8.262) 8.483 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -6.823 12.895 35.118) 38.028 1.680 ( -15.912 39.176 8.810) 43.192 2.750 ( -40.505 64.291 0.210) 75.987 5.756 ( 2.926 -5.340 -1.927) 6.387 7.956 ( 3.055 -6.564 6.185) 9.522 8.067 ( 2.040 -1.520 -8.488) 8.861 8.553 ( 0.551 -4.725 -1.406) 4.961 9.075 ( 6.165 -9.222 16.993) 20.293 9.142 ( 9.501 -11.256 5.361) 15.675 9.758 ( 1.831 -5.469 5.383) 7.889 10.157 ( 4.804 -15.086 -3.216) 16.156 10.696 ( -9.387 -2.685 -0.619) 9.783 11.085 ( 5.084 10.658 11.178) 16.260 11.379 ( 1.390 11.329 -9.982) 15.163 11.684 ( 1.930 -4.050 1.790) 4.830 12.281 ( 2.880 -5.059 -6.809) 8.959 12.542 ( -0.128 1.674 2.942) 3.388 13.252 ( -7.902 3.109 2.214) 8.775 14.826 ( 4.314 -3.195 -3.063) 6.180 15.243 ( -14.365 8.237 0.138) 16.560 15.585 ( 4.945 3.514 0.848) 6.125 17.428 ( 0.326 2.816 -2.528) 3.798 17.619 ( -4.412 5.314 1.161) 7.004 18.229 ( -1.758 1.512 -7.202) 7.566 18.621 ( -5.836 9.886 -30.110) 32.224 20.063 ( -2.313 7.084 -8.175) 11.062 20.800 ( 0.031 -0.348 2.537) 2.561 21.221 ( 1.937 -2.325 -0.402) 3.052 21.273 ( -1.015 0.269 -2.112) 2.358 22.078 ( 5.249 -9.721 4.755) 12.028 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 5.760 17.478 35.343) 39.847 1.836 ( -12.563 37.450 6.374) 40.012 3.200 ( 4.189 74.910 1.560) 75.043 5.703 ( -0.373 -7.337 -2.035) 7.623 7.961 ( 1.403 -4.147 2.492) 5.037 8.108 ( 8.630 -2.785 -10.290) 13.716 8.403 ( -9.634 -4.552 1.948) 10.832 9.045 ( -4.786 -11.349 14.530) 19.048 9.188 ( 5.024 -15.833 9.805) 19.289 9.655 ( -8.228 -7.138 -0.488) 10.904 10.179 ( 17.925 -16.192 1.532) 24.204 10.533 ( -7.386 -5.247 -1.816) 9.240 11.241 ( -6.160 8.491 8.661) 13.604 11.473 ( 1.657 9.540 -5.683) 11.228 11.715 ( 3.777 -2.447 4.141) 6.115 12.112 ( -7.484 -8.999 -10.921) 16.008 12.685 ( 9.121 4.786 7.785) 12.912 13.226 ( -0.328 6.841 -1.999) 7.135 14.850 ( -0.245 -1.652 -2.514) 3.018 15.193 ( 5.194 3.666 -1.642) 6.566 15.625 ( -6.652 6.859 0.285) 9.559 17.434 ( -3.331 6.847 -5.234) 9.240 17.682 ( 4.244 6.875 3.135) 8.667 18.169 ( -0.207 2.245 -12.192) 12.398 18.538 ( -0.648 11.834 -18.526) 21.993 20.079 ( -0.161 7.943 -6.641) 10.355 20.811 ( 0.088 -0.456 2.369) 2.414 21.093 ( -7.956 -6.852 -2.829) 10.875 21.227 ( -1.544 -1.827 -0.882) 2.550 22.162 ( 8.573 -7.734 4.193) 12.284 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 4.927 21.431 31.555) 38.461 2.239 ( 12.978 38.720 1.038) 40.851 4.135 ( 20.154 60.709 1.913) 63.996 5.575 ( -3.597 -8.883 -2.334) 9.864 7.951 ( 0.195 -5.062 2.287) 5.558 8.063 ( -2.598 -3.319 -8.592) 9.570 8.323 ( 0.742 6.322 -4.026) 7.532 8.925 ( -4.596 -11.511 14.976) 19.440 9.075 ( -8.215 -18.845 13.296) 24.483 9.447 ( -1.414 -10.231 -2.289) 10.578 10.255 ( -12.800 -14.102 1.801) 19.130 10.401 ( 21.805 -11.513 -3.326) 24.881 11.162 ( -16.233 9.793 5.733) 19.806 11.511 ( -3.499 6.177 -5.305) 8.862 11.817 ( -0.919 4.941 0.756) 5.082 11.876 ( 8.383 -16.790 -4.925) 19.402 12.920 ( 1.263 9.240 7.517) 11.979 13.316 ( 4.688 6.754 -3.525) 8.945 14.799 ( 0.229 -6.464 1.515) 6.643 15.346 ( 9.869 -5.455 -5.656) 12.616 15.599 ( -5.149 19.174 -1.569) 19.916 17.400 ( -4.262 6.309 -5.114) 9.172 17.896 ( 5.261 10.028 5.102) 12.420 18.137 ( 3.899 0.385 -10.290) 11.011 18.560 ( 0.288 6.348 -6.773) 9.287 20.117 ( -0.138 6.564 -5.669) 8.674 20.802 ( -2.471 -5.590 3.751) 7.172 20.888 ( -3.152 -2.590 -5.838) 7.122 21.172 ( -1.483 -3.154 0.017) 3.485 22.204 ( 2.289 -6.864 1.447) 7.379 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 10.758 25.744 25.180) 37.584 2.926 ( 19.298 36.773 0.661) 41.534 5.033 ( 23.585 39.723 0.590) 46.201 5.368 ( -7.799 -10.336 -2.678) 13.223 7.847 ( -5.578 -4.479 2.742) 7.661 8.027 ( 1.685 4.937 -8.486) 9.961 8.389 ( 2.008 3.908 -8.006) 9.133 8.738 ( -13.038 -16.737 11.357) 24.064 8.857 ( -0.984 -11.131 13.968) 17.888 9.319 ( -5.291 -8.740 -3.672) 10.856 9.905 ( -8.603 -17.154 8.971) 21.184 10.611 ( 17.328 -11.486 -6.970) 21.926 11.033 ( -9.790 6.889 5.532) 13.187 11.442 ( -7.169 5.518 -2.868) 9.491 11.690 ( -0.804 -5.872 -10.426) 11.993 12.067 ( 13.374 -2.359 5.526) 14.662 12.924 ( -14.415 10.839 0.389) 18.040 13.500 ( 10.444 3.891 0.920) 11.183 14.718 ( -0.211 -12.989 0.671) 13.008 15.329 ( -3.224 2.161 -1.597) 4.197 15.866 ( 14.009 16.744 -5.131) 22.426 17.358 ( -3.338 4.658 -5.275) 7.789 17.981 ( -0.623 -0.967 -2.785) 3.013 18.294 ( 8.298 12.009 1.597) 14.684 18.578 ( -2.302 2.664 3.472) 4.945 20.122 ( -1.903 3.589 -4.759) 6.257 20.672 ( -0.636 -8.231 -2.792) 8.715 20.879 ( 1.472 1.017 -0.900) 2.003 21.117 ( -1.052 -3.191 -0.273) 3.371 22.123 ( -3.833 -6.497 -0.828) 7.589 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 14.479 25.632 20.213) 35.711 3.577 ( 12.025 36.897 0.281) 38.809 5.060 ( -13.513 -11.136 -3.376) 17.833 5.741 ( 25.662 18.434 0.417) 31.599 7.750 ( -6.073 0.759 1.280) 6.253 8.022 ( -0.872 -6.297 -5.861) 8.647 8.215 ( -9.684 -10.026 2.609) 14.181 8.582 ( -3.402 -4.746 -1.583) 6.050 8.884 ( 7.427 -1.274 5.299) 9.212 9.013 ( -11.700 -8.032 -5.583) 15.250 9.820 ( 2.107 -7.333 16.355) 18.047 10.648 ( 6.201 -11.162 -8.059) 15.100 11.051 ( -0.988 3.736 7.801) 8.706 11.381 ( -2.174 2.052 -0.585) 3.046 11.579 ( -0.737 0.165 -11.770) 11.795 12.262 ( 6.106 -4.802 4.459) 8.958 12.724 ( -16.051 10.949 -3.170) 19.687 13.719 ( 9.738 2.210 1.658) 10.123 14.539 ( -3.004 -15.641 -1.194) 15.971 15.308 ( -4.569 7.731 0.235) 8.984 16.292 ( 20.116 13.309 -4.133) 24.472 17.316 ( -2.144 2.082 -4.724) 5.590 17.909 ( -0.757 -5.571 -4.275) 7.063 18.516 ( -0.790 5.144 4.426) 6.832 18.616 ( -2.004 11.787 10.889) 16.172 20.074 ( -2.700 1.215 -3.899) 4.896 20.618 ( 5.889 -7.050 -5.471) 10.692 20.921 ( 2.311 0.870 0.939) 2.642 21.073 ( -0.484 -2.105 -0.834) 2.316 21.947 ( -7.772 -6.165 -2.113) 10.143 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( 5.798 19.933 12.826) 24.401 4.070 ( 3.699 35.434 2.604) 35.721 4.664 ( -16.782 -8.450 -3.395) 19.094 6.341 ( 30.376 5.861 0.691) 30.944 7.487 ( -17.395 -17.274 0.144) 24.515 7.895 ( 4.610 -8.142 0.242) 9.359 8.074 ( -8.864 2.417 -3.046) 9.679 8.361 ( -5.566 -12.001 0.678) 13.247 8.819 ( -2.491 -6.218 0.383) 6.710 9.137 ( 15.138 6.804 -5.479) 17.478 9.936 ( 2.698 4.880 8.866) 10.474 10.553 ( -2.780 -7.911 -0.675) 8.412 11.093 ( -4.016 3.845 5.839) 8.063 11.384 ( 6.267 -8.278 -5.426) 11.715 11.557 ( -1.512 10.039 -5.352) 11.477 12.106 ( -12.508 -7.020 -2.330) 14.532 12.721 ( 1.292 9.124 3.212) 9.759 13.883 ( 6.857 0.234 0.389) 6.872 14.326 ( -1.992 -14.821 -1.503) 15.029 15.318 ( -4.929 9.984 0.312) 11.139 16.737 ( 18.548 10.685 -2.780) 21.585 17.267 ( -0.880 -2.556 -2.095) 3.420 17.810 ( -0.175 -5.772 -5.369) 7.885 18.488 ( -6.686 -1.577 10.668) 12.689 18.763 ( -6.718 16.411 6.135) 18.764 20.037 ( -0.330 1.721 -2.571) 3.112 20.653 ( 9.666 -7.014 -6.778) 13.732 20.979 ( 2.189 -0.476 1.791) 2.868 21.064 ( 1.828 0.572 -0.043) 1.916 21.728 ( -8.933 -5.182 -1.909) 10.502 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( -22.074 1.243 3.641) 22.406 4.309 ( -19.645 22.090 -1.399) 29.595 4.574 ( 12.898 14.191 4.889) 19.790 6.812 ( 3.310 -11.688 1.114) 12.199 7.064 ( 11.408 -12.432 -2.018) 16.993 7.898 ( -4.982 -2.327 -1.828) 5.795 7.932 ( 1.839 -0.733 -1.975) 2.796 8.292 ( 3.870 -4.344 6.091) 8.423 8.739 ( -1.152 -5.815 1.669) 6.159 9.393 ( 13.787 -1.105 -5.484) 14.879 10.045 ( -5.540 8.010 -3.452) 10.333 10.427 ( -7.641 8.391 1.494) 11.446 11.010 ( -6.706 -6.468 0.944) 9.364 11.358 ( 5.080 -7.315 -7.979) 11.957 11.591 ( -3.095 5.631 1.412) 6.579 11.945 ( 0.846 1.037 0.207) 1.354 12.852 ( 0.558 5.676 6.485) 8.636 13.953 ( 2.426 -2.880 -0.804) 3.850 14.192 ( 3.294 -11.127 -0.931) 11.641 15.338 ( -4.546 10.272 -0.173) 11.234 16.986 ( -3.609 4.009 -0.912) 5.470 17.278 ( 12.400 -4.837 -0.690) 13.328 17.763 ( 4.088 -2.403 -5.047) 6.925 18.401 ( -7.911 -1.697 8.922) 12.045 18.758 ( -13.297 12.414 2.802) 18.405 20.078 ( 2.892 3.351 -0.162) 4.429 20.705 ( 8.351 -6.449 -7.357) 12.862 20.992 ( 0.053 0.179 0.070) 0.199 21.157 ( 6.175 -0.445 1.484) 6.366 21.548 ( -5.788 -2.267 1.350) 6.361 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -33.555 -6.202 1.430) 34.153 4.108 ( -27.497 17.949 -1.459) 32.869 4.962 ( 12.242 10.367 2.592) 16.250 6.361 ( -17.294 -20.819 -2.295) 27.162 7.475 ( 23.863 -0.126 1.215) 23.894 7.889 ( -0.792 1.574 -1.237) 2.153 7.949 ( 9.745 -2.724 2.496) 10.422 8.403 ( 6.254 -3.243 3.399) 7.822 8.705 ( 0.061 1.633 3.653) 4.002 9.514 ( 6.619 -9.213 -2.953) 11.722 9.723 ( -24.955 4.850 -10.259) 27.414 10.582 ( 6.815 18.262 -8.377) 21.216 10.861 ( 1.424 -12.908 5.091) 13.949 11.334 ( 4.916 -7.592 -3.293) 9.626 11.633 ( -2.043 9.693 2.645) 10.254 12.030 ( 3.214 2.597 0.327) 4.145 12.912 ( -3.473 3.006 7.865) 9.108 13.889 ( -2.583 -6.914 -2.410) 7.764 14.227 ( 9.206 -4.635 0.972) 10.353 15.363 ( -2.879 7.958 -0.652) 8.488 16.771 ( -16.307 -4.076 -0.335) 16.812 17.471 ( 10.141 -2.698 -1.078) 10.549 17.863 ( 10.699 0.135 -0.992) 10.746 18.305 ( -6.046 0.323 3.424) 6.956 18.607 ( -16.048 7.370 0.869) 17.681 20.184 ( 4.090 3.354 2.105) 5.692 20.718 ( 4.484 -4.415 -6.800) 9.265 21.007 ( 0.555 2.160 -0.261) 2.246 21.190 ( 1.504 -4.973 -4.569) 6.919 21.572 ( 4.726 2.079 9.100) 10.463 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -36.581 -4.392 2.290) 36.915 3.666 ( -36.409 6.852 -2.310) 37.120 5.210 ( 7.110 3.072 -0.033) 7.745 5.831 ( -24.397 -11.056 -2.670) 26.918 7.780 ( 1.133 5.254 -1.560) 5.597 7.929 ( 15.946 -4.942 6.815) 18.032 8.215 ( 12.519 1.813 7.425) 14.668 8.415 ( 3.010 -4.712 -5.293) 7.699 8.848 ( 2.231 8.808 10.106) 13.590 9.163 ( -17.461 2.454 -15.829) 23.695 9.655 ( 12.772 -10.587 -4.816) 17.274 10.791 ( 9.904 1.103 -4.808) 11.065 10.850 ( 0.771 -1.158 1.836) 2.303 11.358 ( 6.105 -5.757 2.755) 8.832 11.744 ( -2.257 17.153 2.576) 17.492 12.061 ( 0.156 -0.880 -2.954) 3.087 12.889 ( -5.843 -0.324 7.259) 9.324 13.722 ( -6.244 -7.143 -2.871) 9.912 14.400 ( 11.312 0.579 2.613) 11.624 15.385 ( -0.288 2.383 -0.800) 2.530 16.402 ( -20.718 -2.906 -1.491) 20.974 17.528 ( 1.262 -2.895 -0.940) 3.295 18.083 ( 10.906 1.099 1.119) 11.018 18.240 ( -4.742 0.400 2.852) 5.548 18.414 ( -9.029 3.646 -1.976) 9.936 20.281 ( 2.196 1.221 2.302) 3.407 20.708 ( 2.154 -1.307 -4.946) 5.551 21.053 ( 1.812 3.020 -0.170) 3.526 21.122 ( 1.247 -4.247 -7.429) 8.647 21.770 ( 7.730 1.302 10.850) 13.385 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -36.232 -0.756 4.888) 36.568 3.001 ( -40.630 -0.429 -3.995) 40.828 4.981 ( -43.387 1.699 0.496) 43.423 5.524 ( 4.625 -1.162 -2.536) 5.401 7.783 ( 0.912 0.701 -1.032) 1.546 8.156 ( 3.646 -3.196 8.648) 9.914 8.415 ( 6.350 -3.048 5.675) 9.046 8.528 ( 15.896 5.392 -2.784) 17.015 8.782 ( -9.082 2.998 -11.265) 14.777 9.231 ( 14.951 7.030 3.342) 16.856 9.766 ( 15.804 -12.730 -0.875) 20.312 10.800 ( -1.244 -9.196 4.335) 10.243 10.932 ( 4.810 6.417 -7.103) 10.713 11.444 ( 6.367 -2.535 1.698) 7.061 11.854 ( -9.088 8.716 6.263) 14.064 12.065 ( 5.784 7.967 -7.581) 12.426 12.785 ( -6.818 -6.609 5.528) 10.987 13.522 ( -8.509 -3.477 -1.514) 9.316 14.641 ( 10.237 6.249 3.535) 12.503 15.371 ( 1.331 -7.710 -0.739) 7.859 16.017 ( -21.496 3.219 -2.437) 21.871 17.487 ( -2.018 0.008 -2.649) 3.330 18.008 ( -13.891 0.406 0.477) 13.905 18.282 ( 1.641 -1.159 3.928) 4.412 18.480 ( 13.686 0.897 -1.804) 13.833 20.297 ( -1.105 -0.710 -0.641) 1.461 20.715 ( 1.430 0.472 -1.971) 2.481 21.063 ( 2.894 -5.180 -5.794) 8.294 21.136 ( 2.694 5.872 -3.297) 7.253 21.962 ( 6.400 -0.614 10.322) 12.161 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -32.285 3.842 11.135) 34.366 2.272 ( -40.589 3.763 -4.666) 41.029 4.102 ( -64.202 15.513 2.092) 66.082 5.635 ( 8.669 -1.817 -2.059) 9.094 7.833 ( 4.293 -2.086 3.488) 5.912 8.197 ( 0.099 4.401 -1.502) 4.651 8.558 ( 10.649 -3.835 4.723) 12.264 8.584 ( -5.117 -2.069 -6.999) 8.913 8.861 ( 16.934 -3.402 2.279) 17.422 9.560 ( 11.640 4.222 0.630) 12.398 9.970 ( 18.727 -9.694 7.894) 22.517 10.714 ( -2.464 -3.422 4.554) 6.206 10.995 ( -1.239 8.471 -8.083) 11.774 11.505 ( 2.889 -4.157 -4.738) 6.933 11.725 ( -8.105 -0.880 3.319) 8.803 12.283 ( 6.724 13.769 -4.326) 15.922 12.593 ( -6.414 -13.742 4.865) 15.926 13.370 ( -8.372 3.550 1.296) 9.185 14.903 ( 6.309 10.727 4.427) 13.209 15.238 ( -1.624 -15.614 -1.369) 15.758 15.738 ( -15.384 8.048 -3.134) 17.643 17.448 ( -1.833 2.772 -3.852) 5.087 17.788 ( -11.189 -0.598 2.495) 11.479 18.293 ( -0.434 0.190 -0.458) 0.659 18.715 ( 13.539 -2.597 -3.180) 14.148 20.232 ( -3.297 -0.539 -5.455) 6.397 20.742 ( 1.286 0.402 1.454) 1.983 21.048 ( 4.120 -2.088 -6.178) 7.714 21.220 ( 2.565 4.285 -2.419) 5.549 22.088 ( 4.029 -3.517 8.085) 9.694 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -13.709 15.869 27.189) 34.337 2.395 ( -17.539 36.464 4.972) 40.767 4.088 ( -47.078 46.840 1.144) 66.420 5.616 ( 5.629 -5.363 -2.173) 8.073 7.889 ( 4.019 -2.885 6.532) 8.194 8.001 ( -3.320 -3.812 -11.196) 12.285 8.390 ( 5.873 -5.349 -7.632) 11.016 8.846 ( 13.048 -10.516 5.102) 17.517 9.034 ( 7.915 -2.627 16.221) 18.239 9.584 ( 8.664 -12.517 10.588) 18.543 10.005 ( -0.444 -9.099 -2.370) 9.413 10.831 ( -11.776 -6.517 -3.991) 14.038 11.131 ( 8.703 7.728 11.503) 16.364 11.345 ( 4.298 6.312 -10.404) 12.905 11.625 ( 1.175 -3.657 0.903) 3.946 12.179 ( -0.796 -3.787 -3.457) 5.189 12.564 ( 2.030 4.663 -2.084) 5.496 13.474 ( -10.841 4.548 2.168) 11.955 14.694 ( 1.983 -8.909 -2.747) 9.532 15.472 ( 2.402 -2.477 -0.433) 3.478 15.669 ( -11.940 18.718 1.330) 22.242 17.435 ( -0.304 3.058 -3.585) 4.722 17.800 ( -6.889 8.170 1.713) 10.823 18.210 ( -0.650 -1.762 -6.826) 7.079 18.598 ( 0.781 0.962 -8.146) 8.240 20.118 ( -1.696 5.081 -6.757) 8.623 20.809 ( 0.063 -0.648 3.114) 3.181 21.134 ( 5.864 0.411 -0.843) 5.938 21.277 ( -0.122 1.007 -1.696) 1.976 21.915 ( 2.656 -12.541 -0.373) 12.825 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -2.435 19.125 31.258) 36.725 2.487 ( -17.832 32.086 6.314) 37.248 4.078 ( -18.983 66.209 0.599) 68.879 5.604 ( 1.755 -7.384 -1.665) 7.771 7.904 ( 4.011 -3.558 -9.377) 10.801 7.952 ( 0.275 -0.655 5.301) 5.349 8.377 ( 3.934 -6.228 -4.923) 8.860 8.963 ( 8.265 -9.406 5.890) 13.838 9.121 ( -0.808 -10.935 12.487) 16.618 9.636 ( 2.965 -12.801 8.805) 15.817 9.835 ( -0.035 -14.623 0.044) 14.623 10.583 ( -6.393 -7.124 -3.641) 10.241 11.294 ( 1.444 -7.687 8.671) 11.677 11.475 ( 7.587 8.261 -7.139) 13.295 11.647 ( 2.261 1.442 0.162) 2.686 12.131 ( -3.074 2.618 -10.114) 10.890 12.646 ( 3.779 4.134 5.728) 8.011 13.354 ( -7.086 6.169 -0.200) 9.397 14.715 ( 8.657 -3.134 -5.490) 10.720 15.282 ( -11.609 -4.395 1.269) 12.477 15.801 ( -2.093 15.566 1.055) 15.742 17.494 ( 3.086 8.800 -6.279) 11.242 17.768 ( -5.588 7.430 1.508) 9.419 18.138 ( -1.400 -0.967 -6.481) 6.700 18.583 ( -1.223 6.882 -6.339) 9.436 20.123 ( -0.358 6.796 -6.087) 9.131 20.817 ( -0.021 -1.113 2.572) 2.803 21.120 ( -3.957 -6.964 -0.947) 8.066 21.241 ( -2.560 0.350 -3.963) 4.730 21.917 ( 10.380 -10.009 1.618) 14.511 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 5.773 22.395 29.434) 37.433 2.568 ( -7.638 29.686 3.640) 30.868 4.628 ( 0.247 66.352 0.833) 66.358 5.514 ( -1.444 -9.194 -1.704) 9.462 7.922 ( 5.959 -2.607 -7.058) 9.598 7.957 ( -1.447 0.522 1.937) 2.474 8.359 ( 0.904 -0.201 -3.141) 3.275 8.974 ( -6.372 -13.144 11.017) 18.297 9.026 ( 3.271 -11.270 11.603) 16.503 9.414 ( -9.333 -15.747 -0.650) 18.316 9.895 ( 18.050 -14.402 3.550) 23.363 10.340 ( -10.830 -10.296 -4.823) 15.702 11.278 ( 7.359 -13.559 2.819) 15.683 11.582 ( 2.867 -1.705 -6.667) 7.455 11.659 ( -4.833 3.052 1.042) 5.811 11.978 ( -10.552 7.713 -4.343) 13.773 12.894 ( 12.193 6.280 8.145) 15.952 13.364 ( -1.762 10.077 -3.918) 10.954 14.790 ( 2.325 -1.035 -3.019) 3.948 15.099 ( 0.895 -8.997 -1.980) 9.256 15.883 ( -6.134 16.800 -0.071) 17.885 17.553 ( -5.127 11.867 -8.149) 15.282 17.881 ( 9.314 8.886 2.859) 13.187 18.063 ( -2.309 -2.032 -3.720) 4.827 18.622 ( -0.960 8.526 -1.117) 8.652 20.157 ( -0.117 6.865 -5.428) 8.753 20.805 ( -1.779 -5.480 3.257) 6.619 20.911 ( -6.632 -4.687 -4.896) 9.483 21.176 ( -2.267 -1.815 -1.417) 3.231 22.016 ( 9.575 -9.489 0.303) 13.484 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 6.502 22.850 22.814) 32.937 2.964 ( 15.226 31.161 3.305) 34.839 5.278 ( 3.590 51.776 1.345) 51.918 5.353 ( -4.439 -10.341 -2.529) 11.534 7.891 ( -3.297 -3.045 2.561) 5.168 8.011 ( 3.868 7.094 -7.501) 11.025 8.361 ( -0.028 1.573 -5.016) 5.257 8.777 ( -6.242 -15.598 9.847) 19.474 8.924 ( -10.380 -15.197 13.503) 22.826 9.222 ( 4.371 -8.953 -0.178) 9.964 9.954 ( -12.628 -17.729 2.099) 21.868 10.108 ( 19.439 -10.849 -6.706) 23.250 11.262 ( -3.069 -5.779 1.043) 6.626 11.442 ( 5.515 -15.619 -8.363) 18.555 11.640 ( -8.123 10.634 1.385) 13.453 11.972 ( 1.181 6.302 2.102) 6.748 13.182 ( 2.975 7.574 7.923) 11.358 13.397 ( 1.218 7.534 -7.252) 10.527 14.685 ( -7.106 -7.296 1.573) 10.305 15.149 ( 13.898 -6.814 -5.407) 16.396 15.973 ( -2.974 20.416 -1.992) 20.728 17.499 ( -7.455 9.227 -6.211) 13.390 17.969 ( -2.997 -4.527 -1.148) 5.550 18.225 ( 14.285 12.152 1.724) 18.834 18.699 ( -1.753 8.771 5.990) 10.765 20.174 ( -1.947 5.365 -4.992) 7.582 20.614 ( -5.343 -11.186 -2.367) 12.621 20.867 ( 0.670 1.268 -0.773) 1.629 21.112 ( -1.825 -2.541 -0.539) 3.174 22.031 ( 3.688 -9.785 -1.970) 10.641 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 12.439 23.701 17.675) 32.076 3.628 ( 21.532 30.668 2.093) 37.531 5.120 ( -8.188 -11.371 -2.763) 14.282 5.760 ( 2.242 33.350 2.152) 33.495 7.819 ( -2.583 -2.859 2.008) 4.345 8.047 ( -7.549 0.629 -3.989) 8.561 8.263 ( -4.254 -4.799 -1.614) 6.613 8.592 ( -4.450 -8.549 2.366) 9.924 8.754 ( 1.856 -10.523 7.131) 12.846 9.096 ( -10.403 -8.157 -8.921) 15.948 9.770 ( 5.037 -7.595 14.230) 16.898 10.257 ( 16.083 -12.430 -9.698) 22.522 11.133 ( -4.294 -2.586 3.002) 5.842 11.404 ( 6.269 -10.202 -5.245) 13.073 11.606 ( -7.369 10.990 -0.374) 13.237 12.114 ( 7.467 0.051 4.336) 8.635 13.112 ( -17.678 9.465 -2.975) 20.272 13.570 ( 11.255 2.530 -0.079) 11.536 14.469 ( -6.571 -12.481 0.074) 14.105 15.303 ( 10.030 -1.607 -1.643) 10.290 16.186 ( 6.428 19.754 -3.738) 21.107 17.420 ( -6.976 6.860 -5.081) 11.025 17.856 ( -2.666 -7.272 -0.514) 7.763 18.546 ( 7.223 6.919 2.611) 10.338 18.835 ( -0.429 14.353 12.400) 18.973 20.128 ( -4.352 2.726 -5.440) 7.480 20.446 ( 0.811 -10.011 -4.024) 10.820 20.900 ( 1.751 1.276 0.228) 2.178 21.062 ( -0.910 -1.963 -0.580) 2.240 21.933 ( -1.676 -9.438 -3.427) 10.180 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( 11.639 22.044 13.920) 28.551 4.263 ( 14.336 27.089 0.524) 30.653 4.828 ( -10.870 -6.668 -3.217) 13.152 6.095 ( 7.439 17.825 2.996) 19.546 7.621 ( -18.302 -24.962 1.688) 30.999 7.794 ( -1.780 0.068 0.796) 1.951 8.220 ( -3.496 3.663 -0.607) 5.099 8.375 ( -10.156 -11.213 0.698) 15.144 8.761 ( -1.786 -9.313 -1.969) 9.685 8.901 ( 10.656 -1.103 -7.258) 12.941 9.959 ( 6.231 5.500 3.303) 8.943 10.349 ( 12.830 -8.444 -0.959) 15.390 11.112 ( 2.183 -5.162 4.584) 7.241 11.366 ( -1.857 -0.778 -0.623) 2.107 11.640 ( -0.027 11.354 -3.403) 11.853 12.172 ( -3.560 -7.685 4.267) 9.483 12.888 ( -11.696 9.384 -4.510) 15.659 13.760 ( 8.401 0.789 0.209) 8.440 14.229 ( -4.963 -13.761 -1.073) 14.668 15.425 ( 3.130 3.763 0.291) 4.903 16.525 ( 14.679 14.667 -3.943) 21.122 17.336 ( -6.412 3.642 -2.337) 7.736 17.732 ( -1.709 -8.153 -1.627) 8.488 18.633 ( -3.165 0.705 8.098) 8.723 19.065 ( -2.791 17.818 9.617) 20.439 20.046 ( -2.015 0.828 -5.784) 6.181 20.395 ( 6.558 -8.256 -4.300) 11.387 20.953 ( 2.318 1.056 1.142) 2.791 21.040 ( 0.617 -0.738 -0.704) 1.192 21.763 ( -4.762 -8.159 -3.510) 10.078 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( -14.390 9.240 7.701) 18.755 4.455 ( 5.650 -1.396 -0.991) 5.904 4.852 ( -3.488 30.160 0.432) 30.364 6.469 ( 19.938 7.548 1.730) 21.389 7.019 ( -19.709 -25.999 0.704) 32.633 7.775 ( 1.825 -4.704 -3.358) 6.061 8.111 ( -10.667 3.651 -1.124) 11.331 8.226 ( 1.733 -5.468 6.352) 8.558 8.669 ( 1.750 -6.989 0.249) 7.209 9.065 ( 13.959 -6.268 -6.999) 16.826 10.084 ( 4.746 5.988 -8.260) 11.252 10.533 ( 6.353 5.842 6.402) 10.747 11.097 ( -1.682 -8.057 3.429) 8.917 11.308 ( -7.280 3.234 -1.568) 8.119 11.753 ( -3.472 12.260 -1.838) 12.874 11.918 ( -5.962 -9.991 1.056) 11.682 12.896 ( 2.174 4.938 1.203) 5.527 13.869 ( 4.155 -1.498 -0.368) 4.432 14.044 ( -0.104 -10.730 -1.437) 10.826 15.487 ( -1.833 6.010 0.280) 6.290 16.902 ( 16.783 9.391 -3.914) 19.626 17.224 ( -8.392 -1.781 2.118) 8.836 17.644 ( 2.029 -4.978 -3.616) 6.478 18.582 ( -7.850 -0.743 8.169) 11.354 19.133 ( -12.280 12.892 4.700) 18.414 20.034 ( 3.235 0.002 -3.176) 4.533 20.451 ( 9.531 -4.321 -4.232) 11.288 20.993 ( 0.616 0.555 0.636) 1.045 21.077 ( 3.922 -0.169 0.230) 3.933 21.594 ( -4.143 -5.557 -1.417) 7.075 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.647 ( -30.985 -2.095 4.258) 31.346 4.576 ( -3.557 6.135 -1.310) 7.212 4.992 ( -6.406 15.676 0.802) 16.953 6.444 ( -16.247 -14.333 -0.959) 21.687 6.999 ( 28.550 2.444 -0.590) 28.660 7.778 ( 6.835 -3.541 -0.028) 7.698 8.004 ( -6.793 5.735 -1.825) 9.076 8.288 ( 5.056 -5.424 6.204) 9.668 8.692 ( 4.321 0.979 2.473) 5.074 9.157 ( 12.737 -12.314 -6.867) 19.001 10.124 ( -6.980 3.744 -0.770) 7.958 10.679 ( -10.451 11.072 -8.603) 17.488 10.829 ( -5.789 -7.441 3.220) 9.963 11.232 ( -0.440 -0.875 1.577) 1.856 11.733 ( -0.152 4.832 2.702) 5.538 11.982 ( 6.162 2.966 -1.243) 6.951 12.975 ( 1.450 -1.206 3.861) 4.298 13.845 ( -1.347 -4.604 -1.398) 4.997 14.046 ( 7.815 -2.741 -0.083) 8.282 15.484 ( -4.127 3.626 -0.060) 5.494 17.014 ( -14.313 -1.683 1.675) 14.509 17.225 ( 14.965 2.410 -3.231) 15.499 17.685 ( 8.079 -1.479 -1.363) 8.326 18.461 ( -8.977 -0.106 3.511) 9.639 18.982 ( -17.461 6.283 1.889) 18.653 20.104 ( 6.590 -1.963 -0.558) 6.899 20.558 ( 6.927 0.925 -4.092) 8.098 21.013 ( 0.688 1.289 0.256) 1.484 21.113 ( 1.250 -2.465 -2.596) 3.792 21.547 ( 3.027 -1.759 4.486) 5.690 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -35.650 -0.018 5.760) 36.112 4.276 ( -30.257 -2.698 -0.968) 30.393 5.068 ( 8.231 -1.130 -3.080) 8.860 6.107 ( -16.615 3.361 -3.251) 17.261 7.519 ( 27.621 1.921 1.679) 27.738 7.842 ( -1.303 0.237 -3.003) 3.282 8.081 ( 10.304 6.835 5.712) 13.620 8.309 ( 2.363 -5.914 0.147) 6.370 8.869 ( 7.495 7.461 4.885) 11.649 9.207 ( 12.476 -13.823 -4.181) 19.084 9.706 ( -37.005 1.694 -5.827) 37.499 10.543 ( 8.813 -10.330 2.142) 13.747 10.897 ( 0.238 4.493 -1.377) 4.706 11.281 ( 2.682 3.109 3.952) 5.699 11.858 ( 4.734 10.304 -3.329) 11.818 12.069 ( 0.563 2.780 0.903) 2.977 12.942 ( -1.977 -8.436 2.532) 9.027 13.755 ( -4.548 -1.348 -1.105) 4.870 14.224 ( 12.231 2.062 1.827) 12.537 15.419 ( -4.004 -2.381 0.036) 4.658 16.725 ( -18.239 0.137 0.188) 18.241 17.421 ( 7.922 1.082 -4.298) 9.078 17.865 ( 13.092 -0.761 2.441) 13.339 18.338 ( -6.101 1.516 -1.542) 6.473 18.709 ( -18.608 0.553 1.832) 18.706 20.191 ( 6.735 -3.936 -0.906) 7.853 20.650 ( 2.901 4.318 -2.495) 5.770 21.033 ( -0.113 -2.730 0.081) 2.733 21.073 ( 0.493 2.739 -5.487) 6.152 21.684 ( 8.596 -1.495 8.085) 11.895 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -37.450 3.712 8.171) 38.510 3.609 ( -36.062 -8.934 -1.881) 37.200 5.194 ( 10.673 -3.655 -3.330) 11.763 5.811 ( -27.267 13.754 -3.671) 30.760 7.773 ( -0.721 -1.982 -2.848) 3.544 7.989 ( 19.470 0.737 6.608) 20.574 8.269 ( 3.560 -1.035 -4.726) 6.007 8.430 ( 10.416 7.551 7.423) 14.853 9.030 ( -22.369 0.011 -10.831) 24.853 9.131 ( 5.016 2.265 8.764) 10.349 9.329 ( 15.383 -10.741 -0.965) 18.786 10.684 ( 9.881 -5.188 7.767) 13.597 10.882 ( 0.570 -3.102 -0.854) 3.267 11.382 ( 1.980 3.713 0.790) 4.281 11.978 ( 1.286 1.674 -8.843) 9.091 12.128 ( -1.033 14.858 3.340) 15.264 12.776 ( -3.640 -15.823 0.106) 16.237 13.659 ( -7.368 3.353 0.856) 8.140 14.514 ( 14.328 6.419 2.732) 15.936 15.297 ( -3.364 -9.811 0.277) 10.376 16.411 ( -20.300 5.068 -1.215) 20.958 17.484 ( 1.574 2.570 -5.491) 6.264 18.108 ( 11.008 0.072 1.305) 11.085 18.264 ( -3.178 0.205 0.150) 3.188 18.416 ( -11.630 -3.722 1.479) 12.301 20.232 ( 4.001 -3.909 -3.755) 6.737 20.715 ( 0.327 4.423 0.208) 4.440 20.979 ( -0.152 -2.543 -2.911) 3.869 21.126 ( 2.500 5.266 -3.682) 6.894 21.862 ( 8.766 -3.828 7.786) 12.334 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -35.444 8.009 12.048) 38.283 2.923 ( -34.361 -0.473 -2.131) 34.430 5.195 ( -28.022 11.794 1.287) 30.430 5.474 ( -6.318 5.485 -5.754) 10.154 7.752 ( 2.853 -2.755 -0.736) 4.034 8.217 ( 3.184 3.677 -0.871) 4.941 8.393 ( 13.245 -3.237 3.998) 14.209 8.587 ( -12.352 -4.808 -5.797) 14.467 8.682 ( 5.181 2.240 4.614) 7.290 9.315 ( 15.383 -9.428 -2.286) 18.186 9.642 ( 18.072 2.739 11.868) 21.793 10.751 ( -1.238 -2.192 7.618) 8.023 10.961 ( 8.833 1.189 -1.804) 9.093 11.417 ( 0.578 0.571 -3.577) 3.668 11.853 ( -8.349 -3.278 -3.603) 9.666 12.317 ( 3.102 15.105 -3.953) 15.919 12.535 ( -3.427 -18.615 0.805) 18.945 13.588 ( -8.257 7.549 2.860) 11.547 14.862 ( 14.570 9.697 2.338) 17.658 15.105 ( -4.429 -15.398 0.109) 16.023 16.124 ( -19.991 8.783 -1.661) 21.898 17.488 ( -1.221 5.346 -6.618) 8.594 18.011 ( -13.382 -0.503 0.939) 13.425 18.285 ( 0.253 -1.071 -0.820) 1.372 18.430 ( 13.636 -5.152 2.014) 14.715 20.212 ( 0.547 -1.653 -6.392) 6.625 20.754 ( -0.363 2.583 2.157) 3.384 20.960 ( 1.760 -0.212 -2.834) 3.343 21.203 ( 2.613 4.773 -3.479) 6.459 21.981 ( 6.586 -7.183 5.228) 11.059 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -20.495 16.855 20.452) 33.503 3.034 ( -12.971 33.103 2.433) 35.637 5.187 ( -23.737 16.567 3.930) 29.212 5.488 ( -7.703 8.808 -4.936) 12.700 7.779 ( 9.079 -1.033 -1.270) 9.225 7.986 ( -8.232 -7.570 -5.603) 12.508 8.240 ( 1.544 -5.554 -4.363) 7.230 8.582 ( 10.530 -3.139 3.228) 11.453 8.879 ( 11.013 -10.680 7.012) 16.868 9.455 ( 7.014 0.639 15.738) 17.242 9.914 ( 0.037 -8.064 0.084) 8.064 10.872 ( -3.334 -7.837 -5.001) 9.876 11.047 ( 8.249 -3.605 3.895) 9.809 11.304 ( 1.935 8.949 -9.002) 12.840 11.619 ( -3.031 -3.862 7.877) 9.281 12.160 ( 0.115 -2.998 -0.013) 3.001 12.548 ( 2.490 7.352 -7.586) 10.854 13.714 ( -9.952 4.381 1.230) 10.943 14.550 ( 0.085 -12.837 -2.608) 13.099 15.362 ( 8.795 3.177 -0.197) 9.353 16.119 ( -17.770 14.866 1.266) 23.203 17.462 ( -2.551 2.900 -5.816) 6.982 18.005 ( -5.069 8.516 -0.991) 9.960 18.136 ( 1.676 -4.032 -2.340) 4.954 18.546 ( 4.189 0.100 5.102) 6.602 20.130 ( 0.664 2.673 -6.173) 6.759 20.834 ( -1.538 0.182 3.102) 3.467 21.042 ( 4.885 1.576 -0.640) 5.173 21.280 ( 0.172 2.419 -2.650) 3.592 21.723 ( 2.906 -14.788 -2.647) 15.302 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -8.855 20.494 24.813) 33.378 3.149 ( -17.501 32.262 3.594) 36.878 5.038 ( -23.136 43.811 2.895) 49.629 5.483 ( 2.714 -4.211 -2.614) 5.651 7.784 ( -0.047 -4.934 -8.667) 9.973 7.957 ( 5.362 2.164 5.824) 8.207 8.185 ( 3.912 -6.552 -6.615) 10.099 8.724 ( 10.359 -8.855 5.071) 14.542 8.981 ( 8.556 -12.044 5.366) 15.718 9.596 ( -0.253 -5.739 14.822) 15.896 9.763 ( -4.170 -11.326 0.613) 12.084 10.555 ( -7.240 -13.116 -8.318) 17.136 11.275 ( -3.133 -9.232 10.065) 14.013 11.305 ( 10.045 0.458 -6.084) 11.753 11.641 ( 3.371 7.961 -4.411) 9.706 12.162 ( -0.567 5.241 -2.574) 5.866 12.654 ( 4.669 6.617 -0.618) 8.122 13.563 ( -10.660 3.448 0.444) 11.213 14.489 ( 7.061 -7.693 -4.568) 11.398 15.392 ( -5.049 -4.530 0.501) 6.802 16.070 ( -8.239 18.467 1.575) 20.283 17.465 ( 2.911 5.881 -7.274) 9.796 17.956 ( -5.447 3.310 -3.235) 7.147 18.140 ( -1.857 3.010 2.716) 4.459 18.633 ( 0.957 4.977 3.077) 5.929 20.142 ( 0.916 4.582 -5.953) 7.568 20.825 ( -0.831 -1.325 2.588) 3.024 21.088 ( 0.099 -4.558 -0.488) 4.585 21.265 ( -2.078 1.586 -5.287) 5.898 21.647 ( 7.837 -12.693 -0.567) 14.928 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 0.505 23.288 25.066) 34.218 3.094 ( -20.012 23.291 3.134) 30.867 5.327 ( -5.278 51.598 3.804) 52.007 5.434 ( -1.113 -2.939 -3.760) 4.901 7.765 ( 5.737 0.144 -5.865) 8.206 8.029 ( -2.713 0.594 4.433) 5.231 8.223 ( 9.235 -2.145 -5.266) 10.845 8.831 ( 10.575 -11.436 3.932) 16.064 8.973 ( 0.582 -12.079 6.571) 13.763 9.422 ( -9.687 -17.180 2.254) 19.851 9.673 ( -0.541 -6.800 11.580) 13.440 10.306 ( -2.443 -12.336 -9.694) 15.879 11.058 ( -4.113 -18.858 4.298) 19.774 11.404 ( 5.968 -6.554 -6.272) 10.859 11.780 ( 1.917 11.255 -3.243) 11.869 12.174 ( -4.489 8.212 -4.678) 10.463 12.839 ( 6.807 6.479 8.022) 12.356 13.487 ( -3.756 8.250 -2.124) 9.310 14.568 ( 12.421 -4.946 -5.833) 14.587 15.165 ( -12.893 -7.648 1.179) 15.037 16.152 ( -5.314 17.339 1.129) 18.170 17.588 ( 6.854 9.582 -11.301) 16.325 17.900 ( -1.437 2.828 1.015) 3.331 18.127 ( -5.806 3.236 3.752) 7.633 18.732 ( -0.086 9.378 4.411) 10.363 20.182 ( 1.227 5.707 -5.093) 7.747 20.794 ( -1.873 -6.189 2.249) 6.846 20.944 ( -5.807 -5.829 -3.423) 8.912 21.194 ( -2.751 -0.236 -4.504) 5.283 21.727 ( 11.936 -9.842 0.409) 15.476 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 1.867 18.794 16.512) 25.087 3.132 ( 0.187 25.137 7.013) 26.098 5.292 ( -2.825 -11.857 -0.996) 12.229 5.841 ( -3.161 54.255 0.515) 54.350 7.894 ( 6.303 5.241 -2.584) 8.595 7.993 ( -1.573 2.051 -0.931) 2.747 8.314 ( 4.011 -0.945 -2.244) 4.693 8.791 ( -4.495 -13.350 3.108) 14.425 8.986 ( 7.823 -7.682 11.832) 16.131 9.049 ( -10.923 -19.561 1.690) 22.468 9.719 ( 8.132 -8.995 6.314) 13.672 10.023 ( -10.520 -11.244 -10.661) 18.728 10.918 ( 10.729 -20.480 -0.709) 23.131 11.313 ( -1.001 -10.336 -6.610) 12.309 11.873 ( -2.895 10.725 0.715) 11.132 12.122 ( -7.463 7.052 -0.385) 10.275 13.102 ( 11.124 5.356 6.616) 14.007 13.522 ( -3.379 10.303 -4.182) 11.622 14.733 ( 11.871 -1.429 -3.979) 12.601 14.856 ( -9.291 -11.950 -0.472) 15.144 16.239 ( -5.055 18.053 0.154) 18.748 17.641 ( -2.550 5.635 -9.035) 10.950 18.019 ( -2.986 2.581 1.400) 4.188 18.101 ( 8.351 5.873 3.230) 10.708 18.871 ( -0.686 12.574 8.144) 14.997 20.224 ( -0.239 5.653 -4.272) 7.090 20.587 ( -7.142 -13.842 -2.651) 15.800 20.872 ( -0.410 1.061 -0.754) 1.364 21.119 ( -2.318 -1.897 -2.261) 3.753 21.807 ( 8.502 -10.029 -1.592) 13.244 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( 12.733 14.461 6.390) 20.299 3.619 ( 13.596 27.109 11.036) 32.273 5.087 ( -4.744 -13.742 -2.464) 14.745 6.247 ( -7.964 43.371 2.643) 44.175 7.871 ( -5.597 -2.581 1.797) 6.420 8.129 ( 2.388 8.151 -4.247) 9.496 8.276 ( -3.143 -3.930 0.084) 5.033 8.574 ( -4.637 -11.339 -1.162) 12.306 8.719 ( -6.813 -14.371 6.619) 17.227 9.092 ( -1.068 -7.653 -0.703) 7.759 9.695 ( 0.563 -9.086 6.914) 11.431 9.851 ( 10.942 -6.360 -7.192) 14.557 10.980 ( 17.505 -16.790 -3.493) 24.506 11.153 ( -1.421 -8.138 -3.499) 8.972 11.889 ( -9.192 9.724 3.877) 13.932 12.102 ( -0.690 4.426 1.447) 4.707 13.379 ( 12.090 3.028 3.407) 12.921 13.460 ( -12.178 8.770 -5.756) 16.073 14.524 ( -12.069 -10.201 0.509) 15.811 14.989 ( 18.469 -3.512 -3.112) 19.056 16.354 ( -2.290 18.926 -1.078) 19.095 17.569 ( -5.296 4.118 -6.414) 9.282 17.892 ( -8.578 -3.019 2.700) 9.486 18.431 ( 14.543 5.752 2.016) 15.769 19.064 ( 0.002 16.281 11.867) 20.147 20.208 ( -5.061 3.923 -7.380) 9.770 20.335 ( -2.625 -13.062 -1.337) 13.390 20.890 ( 1.027 1.332 0.103) 1.685 21.056 ( -1.309 -2.078 -1.464) 2.859 21.795 ( 3.404 -9.928 -3.287) 10.997 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.736 ( 20.441 13.467 5.846) 25.166 4.202 ( 18.004 23.428 5.602) 30.073 4.834 ( -5.713 -13.990 -3.738) 15.567 6.470 ( -12.418 33.969 4.505) 36.447 7.664 ( -13.250 -16.171 2.682) 21.077 7.938 ( -11.308 -6.693 3.838) 13.689 8.279 ( -3.441 -1.062 1.410) 3.867 8.422 ( -2.987 -5.830 -3.397) 7.379 8.660 ( 6.667 -0.763 -1.223) 6.821 8.778 ( -11.304 -9.454 -9.676) 17.629 9.845 ( 8.353 -1.873 -4.120) 9.500 10.038 ( 19.100 0.923 7.726) 20.624 11.036 ( 3.709 -7.481 -0.905) 8.399 11.164 ( 14.542 -8.495 -2.564) 17.035 11.819 ( -9.503 6.476 3.767) 12.101 12.180 ( 1.910 2.296 3.743) 4.788 13.221 ( -18.756 6.766 -7.161) 21.186 13.607 ( 10.190 1.131 1.186) 10.321 14.229 ( -9.636 -11.102 0.004) 14.701 15.258 ( 15.823 -1.086 -0.676) 15.875 16.527 ( 2.740 16.662 -2.053) 17.011 17.479 ( -5.872 4.127 -4.892) 8.686 17.721 ( -7.048 -6.506 2.713) 9.968 18.665 ( 5.798 0.686 5.325) 7.902 19.327 ( 0.494 18.993 10.973) 21.941 20.038 ( -3.870 -5.391 -9.876) 11.898 20.250 ( 0.522 -4.213 0.180) 4.249 20.933 ( 2.053 1.450 0.666) 2.600 21.019 ( -0.026 -1.452 -1.134) 1.843 21.700 ( -0.692 -8.764 -3.837) 9.592 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.204 ( 16.783 6.857 1.676) 18.207 4.449 ( -13.908 -1.708 2.049) 14.161 4.873 ( 22.366 10.399 -1.555) 24.714 6.581 ( -10.319 24.609 3.252) 26.883 7.150 ( -22.050 -21.653 4.187) 31.186 7.751 ( -6.105 -4.306 -2.593) 7.908 8.196 ( -0.978 -6.855 6.901) 9.776 8.291 ( -5.885 -0.132 -5.146) 7.818 8.561 ( -0.412 -5.607 -2.637) 6.210 8.801 ( 7.638 1.388 -3.426) 8.485 9.922 ( 9.397 -2.243 -7.330) 12.127 10.463 ( 15.082 10.190 6.355) 19.279 11.037 ( 2.580 -3.916 1.413) 4.897 11.314 ( 9.657 -5.482 -0.433) 11.113 11.771 ( -1.626 1.324 1.107) 2.371 12.153 ( -13.014 2.197 3.474) 13.647 12.961 ( -9.002 3.044 -5.338) 10.899 13.764 ( 6.996 -0.172 0.208) 7.002 13.993 ( -5.676 -8.192 -0.284) 9.971 15.472 ( 8.360 0.909 0.146) 8.410 16.749 ( 8.674 9.797 -2.077) 13.249 17.390 ( -7.244 3.342 -0.721) 8.010 17.574 ( -2.819 -5.740 0.234) 6.399 18.716 ( -2.869 -1.708 6.617) 7.411 19.468 ( -8.954 12.456 0.333) 15.344 19.935 ( 2.395 -5.857 0.055) 6.328 20.277 ( 6.318 1.507 -2.263) 6.878 20.989 ( 1.467 1.227 1.058) 2.185 21.016 ( 2.247 -0.916 -0.666) 2.516 21.572 ( -2.189 -6.591 -2.884) 7.520 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.079 ( -17.454 -8.669 -0.483) 19.494 4.506 ( 6.446 6.114 0.380) 8.893 5.207 ( 1.969 -0.406 0.014) 2.011 6.610 ( -2.613 -10.323 -0.577) 10.664 6.767 ( -8.843 20.018 0.723) 21.896 7.660 ( 2.660 -2.732 0.027) 3.813 8.158 ( -6.061 1.196 -2.920) 6.833 8.201 ( 2.436 -4.830 2.878) 6.127 8.579 ( 7.256 -3.031 -0.000) 7.864 8.901 ( 4.841 0.831 0.048) 4.912 10.049 ( 10.060 -2.245 -0.573) 10.323 10.779 ( 7.628 8.276 0.851) 11.288 10.986 ( -11.062 -3.591 -0.840) 11.660 11.332 ( -2.958 1.176 0.034) 3.183 11.772 ( 0.848 -6.786 2.853) 7.410 11.947 ( -6.825 8.629 -2.622) 11.310 12.913 ( 2.288 -4.205 0.177) 4.790 13.831 ( 0.404 -1.014 -0.097) 1.096 13.916 ( 3.993 -1.045 0.001) 4.128 15.546 ( -0.297 -0.342 0.004) 0.452 16.969 ( 10.961 -1.710 0.648) 11.113 17.278 ( -9.964 7.009 -0.661) 12.200 17.549 ( 4.483 -1.972 -0.361) 4.911 18.625 ( -8.155 -1.934 2.868) 8.858 19.312 ( -14.209 3.302 -5.558) 15.610 19.955 ( 4.426 -6.444 5.276) 9.431 20.459 ( 8.373 8.624 -2.238) 12.226 21.014 ( 0.678 0.928 0.449) 1.234 21.054 ( 2.187 -1.526 -0.884) 2.809 21.494 ( 1.178 -3.904 0.520) 4.111 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( -25.490 -2.207 3.830) 25.871 4.548 ( -7.130 -5.607 -1.593) 9.209 4.939 ( -8.194 -17.993 -2.849) 19.975 6.488 ( -14.673 18.241 -2.451) 23.538 7.079 ( 23.645 6.670 -2.547) 24.699 7.792 ( 7.789 3.143 3.836) 9.234 8.081 ( -0.922 3.664 -3.054) 4.858 8.209 ( 3.110 -5.301 0.268) 6.152 8.697 ( 11.164 -6.525 -2.115) 13.103 9.030 ( 3.952 7.143 6.480) 10.422 10.192 ( 2.603 -0.248 6.019) 6.563 10.448 ( -28.616 -12.987 -4.541) 31.751 10.912 ( 0.717 0.934 0.913) 1.490 11.363 ( -1.567 9.221 1.971) 9.559 11.802 ( 5.686 2.491 -3.418) 7.087 12.030 ( 7.055 3.171 -1.694) 7.918 12.863 ( -0.682 -11.052 0.718) 11.096 13.825 ( -1.816 2.913 0.288) 3.445 14.057 ( 10.206 2.799 1.360) 10.670 15.466 ( -5.247 -5.178 0.326) 7.379 16.978 ( -7.522 -4.883 4.354) 9.969 17.295 ( 4.103 10.035 -6.891) 12.846 17.671 ( 9.971 -1.187 3.234) 10.550 18.461 ( -8.493 -0.895 -2.294) 8.843 19.017 ( -16.936 -2.370 -3.524) 17.460 20.016 ( 6.489 -5.925 3.141) 9.332 20.658 ( 4.085 10.576 -1.012) 11.383 21.020 ( -1.298 -2.234 -0.412) 2.616 21.056 ( 1.720 2.084 -2.929) 3.985 21.553 ( 7.355 -3.597 4.568) 9.376 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -31.560 3.664 7.320) 32.604 4.027 ( -28.950 -17.648 0.276) 33.906 4.868 ( 13.462 -10.248 -6.882) 18.264 6.387 ( -20.159 23.442 -3.161) 31.080 7.534 ( 22.419 -0.470 -2.471) 22.560 7.877 ( -0.021 4.867 -0.125) 4.868 8.190 ( 3.406 -0.689 -1.612) 3.831 8.308 ( 14.869 4.256 2.060) 15.603 8.802 ( 12.125 -9.760 -1.208) 15.612 9.235 ( 4.146 9.527 7.511) 12.820 9.619 ( -39.927 -5.257 -0.834) 40.280 10.462 ( 15.088 -3.333 6.908) 16.925 10.868 ( -3.258 -6.183 4.637) 8.387 11.431 ( -0.830 4.674 2.258) 5.257 11.896 ( 4.624 4.214 -10.757) 12.444 12.203 ( 7.677 6.462 -1.602) 10.162 12.674 ( -5.589 -15.144 -0.416) 16.148 13.821 ( -4.323 5.600 1.898) 7.325 14.326 ( 14.582 5.400 1.705) 15.643 15.290 ( -6.355 -9.882 1.062) 11.797 16.778 ( -15.558 3.491 1.526) 16.017 17.423 ( 5.060 6.135 -7.089) 10.654 17.888 ( 13.206 -1.498 5.150) 14.254 18.316 ( -4.778 -0.229 -4.502) 6.569 18.656 ( -17.736 -6.395 -0.657) 18.865 20.082 ( 5.792 -4.220 -0.480) 7.182 20.789 ( -0.388 8.861 1.438) 8.985 20.963 ( -1.486 -1.427 -1.686) 2.662 21.108 ( 2.704 4.263 -3.894) 6.375 21.687 ( 9.468 -6.190 5.194) 12.447 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -33.986 8.521 10.491) 36.575 3.405 ( -26.482 -6.650 -0.198) 27.305 5.010 ( 16.911 -8.394 -5.249) 19.596 6.184 ( -29.743 23.646 -2.440) 38.075 7.670 ( 2.793 -3.919 -2.948) 5.644 8.074 ( 13.649 1.436 2.660) 13.979 8.237 ( 4.144 3.094 -5.493) 7.544 8.597 ( 12.299 -1.898 2.562) 12.705 8.817 ( -10.444 -15.704 -5.792) 19.729 9.032 ( -7.101 7.416 3.839) 10.962 9.529 ( 10.287 5.487 14.666) 18.735 10.710 ( 10.079 -10.435 0.356) 14.512 10.829 ( 2.884 5.829 10.252) 12.140 11.434 ( -2.400 -0.248 -0.553) 2.475 11.894 ( -2.124 0.826 -8.908) 9.195 12.324 ( 4.337 -8.390 -7.877) 12.298 12.450 ( -4.525 0.221 2.136) 5.008 13.810 ( -6.117 7.388 2.863) 10.010 14.653 ( 15.621 3.493 0.063) 16.006 15.085 ( -5.654 -9.883 1.984) 11.558 16.547 ( -18.435 8.406 0.350) 20.265 17.504 ( 1.768 7.167 -7.878) 10.796 18.111 ( 8.780 0.255 -3.106) 9.317 18.258 ( 1.718 -2.066 3.411) 4.342 18.306 ( -12.877 -8.573 2.761) 15.714 20.120 ( 3.641 -1.922 -3.772) 5.584 20.838 ( -3.108 5.269 2.542) 6.625 20.937 ( 0.076 0.298 -0.800) 0.857 21.182 ( 2.946 5.458 -4.807) 7.847 21.790 ( 8.230 -9.650 3.224) 13.086 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( -22.582 15.493 14.456) 30.967 3.510 ( -4.992 28.988 1.406) 29.448 5.020 ( 18.489 -7.287 -2.195) 19.994 6.226 ( -33.798 16.724 1.530) 37.740 7.617 ( 4.569 -1.983 -2.175) 5.435 8.007 ( -1.834 -10.619 -3.311) 11.273 8.116 ( 0.443 -9.058 1.105) 9.136 8.491 ( 5.864 4.832 -2.918) 8.139 8.583 ( 7.109 -9.988 2.042) 12.429 9.514 ( 1.368 7.530 6.371) 9.958 9.878 ( -1.818 -3.495 7.572) 8.536 10.668 ( 20.656 -1.568 2.133) 20.825 10.946 ( -9.940 -13.280 -7.592) 18.243 11.343 ( 0.418 10.783 -6.319) 12.505 11.728 ( -6.266 -5.301 13.848) 16.098 12.059 ( 7.184 -3.493 -0.884) 8.037 12.563 ( -0.686 8.027 -8.765) 11.905 13.900 ( -6.887 2.608 -0.537) 7.383 14.421 ( -2.444 -13.200 -1.842) 13.550 15.247 ( 9.320 5.963 -0.484) 11.075 16.555 ( -16.132 10.869 0.802) 19.469 17.511 ( -4.155 2.050 -5.723) 7.364 17.963 ( 3.396 -7.293 -5.037) 9.492 18.190 ( -0.352 7.375 2.790) 7.893 18.530 ( 5.334 3.238 11.923) 13.458 20.080 ( 2.460 0.772 -5.770) 6.320 20.909 ( -3.794 0.810 3.276) 5.077 20.996 ( 1.618 1.373 0.264) 2.139 21.289 ( 0.339 5.030 -6.105) 7.918 21.500 ( 3.255 -15.625 -1.112) 15.999 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -14.218 20.392 18.628) 31.064 3.738 ( -10.116 33.410 1.294) 34.932 5.218 ( 12.218 -5.727 0.696) 13.511 5.887 ( -25.285 22.622 0.770) 33.936 7.645 ( 4.386 -5.917 -5.665) 9.292 7.908 ( 1.617 -0.102 -0.038) 1.621 8.067 ( 1.917 -7.331 1.359) 7.699 8.560 ( 3.363 -6.562 2.490) 7.783 8.686 ( 13.554 -9.151 0.705) 16.369 9.562 ( 0.512 -8.528 -1.257) 8.636 9.820 ( -5.139 -0.423 9.255) 10.594 10.558 ( -13.308 -9.761 -5.586) 17.424 11.054 ( 16.674 0.557 -1.635) 16.763 11.338 ( -4.908 -2.336 2.719) 6.078 11.665 ( -2.393 1.008 2.300) 3.468 12.172 ( 5.722 1.664 2.569) 6.489 12.621 ( 3.935 9.301 -7.445) 12.546 13.767 ( -9.587 1.153 -0.433) 9.666 14.285 ( 2.828 -10.396 -3.318) 11.273 15.396 ( 2.122 1.403 -0.047) 2.544 16.427 ( -12.392 13.814 0.835) 18.576 17.448 ( -0.920 3.300 -7.055) 7.842 17.918 ( 2.422 -7.511 -2.023) 8.147 18.298 ( -1.591 11.092 3.475) 11.732 18.700 ( 1.804 5.872 10.834) 12.455 20.105 ( 3.117 2.322 -6.547) 7.614 20.861 ( -3.386 -1.550 2.966) 4.761 21.036 ( 1.382 -2.118 -0.583) 2.595 21.272 ( -0.945 1.314 -10.547) 10.670 21.408 ( 4.314 -12.248 3.010) 13.330 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( -5.169 23.109 19.861) 30.907 3.728 ( -23.942 22.384 1.864) 32.829 5.302 ( 3.998 -8.809 0.552) 9.690 5.932 ( -4.760 38.710 0.476) 39.004 7.646 ( 5.340 -0.784 -3.565) 6.468 7.972 ( 6.824 -4.787 -6.751) 10.726 8.100 ( 3.093 2.759 6.164) 7.428 8.563 ( 8.075 -14.380 3.151) 16.791 8.804 ( 8.473 -8.469 2.066) 12.157 9.384 ( -4.281 -15.531 -1.579) 16.187 9.774 ( -4.741 -3.173 6.041) 8.309 10.228 ( -11.860 -6.668 -3.215) 13.981 11.086 ( -11.194 -14.599 5.286) 19.141 11.218 ( 3.483 -4.903 -3.838) 7.135 11.774 ( 7.288 10.588 -6.432) 14.373 12.269 ( -0.552 5.639 -0.324) 5.676 12.815 ( 9.384 7.421 3.424) 12.445 13.633 ( -6.947 4.122 -1.436) 8.204 14.277 ( 9.343 -8.069 -4.355) 13.091 15.316 ( -9.875 -3.606 0.755) 10.540 16.423 ( -6.261 15.119 0.987) 16.394 17.482 ( 5.381 5.179 -8.560) 11.360 17.881 ( 2.050 -5.798 0.446) 6.166 18.356 ( -7.203 10.774 3.102) 13.326 18.860 ( 1.115 9.536 10.298) 14.079 20.160 ( 3.566 4.058 -5.455) 7.677 20.774 ( -3.569 -9.162 0.800) 9.865 20.957 ( -3.502 -3.946 -2.338) 5.771 21.194 ( -1.063 -0.591 -8.680) 8.765 21.461 ( 8.673 -6.581 3.520) 11.442 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.225 ( -3.510 17.848 13.740) 22.796 3.537 ( -16.104 19.639 5.866) 26.066 5.203 ( -1.727 -12.857 -1.071) 13.017 6.367 ( 1.983 44.592 0.689) 44.641 7.802 ( 9.830 7.683 -1.960) 12.629 7.982 ( 3.377 -2.576 -4.515) 6.199 8.213 ( 4.572 -0.943 1.440) 4.885 8.604 ( 9.301 -12.848 0.880) 15.886 8.832 ( 4.085 -9.310 5.146) 11.395 9.104 ( -9.636 -17.068 4.798) 20.179 9.688 ( -1.817 -5.537 2.064) 6.182 9.981 ( -8.309 -3.965 -5.921) 10.946 10.727 ( -10.387 -17.812 3.152) 20.859 11.170 ( 1.291 -7.748 -6.389) 10.125 11.956 ( 4.303 9.121 -2.207) 10.324 12.268 ( -3.675 4.584 -2.850) 6.529 13.064 ( 6.243 5.306 9.351) 12.433 13.619 ( -0.426 8.326 -4.266) 9.365 14.388 ( 14.608 -6.766 -4.000) 16.588 15.038 ( -15.946 -5.521 0.379) 16.879 16.489 ( -4.360 14.423 0.964) 15.099 17.587 ( 5.258 1.321 -6.595) 8.537 17.929 ( 8.661 -0.074 0.997) 8.718 18.300 ( -11.736 8.491 1.890) 14.609 19.055 ( 1.067 13.507 10.560) 17.178 20.234 ( 2.585 4.528 -3.319) 6.181 20.538 ( -6.430 -16.004 -4.372) 17.793 20.894 ( -1.471 0.823 -0.433) 1.740 21.117 ( -1.690 -2.149 -4.722) 5.456 21.565 ( 8.335 -6.370 0.892) 10.528 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.261 ( -1.386 6.712 2.019) 7.145 3.801 ( 5.191 25.601 12.593) 28.999 4.997 ( -3.821 -15.653 -2.858) 16.364 6.795 ( -3.296 39.477 2.237) 39.677 7.930 ( -0.544 -1.812 -0.349) 1.924 8.094 ( 6.717 7.417 -5.188) 11.271 8.259 ( 3.296 -1.297 0.599) 3.592 8.511 ( -3.447 -11.028 -3.243) 12.001 8.751 ( -7.906 -13.621 4.235) 16.309 8.981 ( 6.992 -8.486 11.155) 15.663 9.633 ( 0.734 -4.488 0.321) 4.559 9.755 ( -7.998 -1.701 -7.834) 11.324 10.533 ( 8.158 -16.190 0.147) 18.130 11.060 ( -0.293 -7.720 -4.181) 8.785 12.071 ( 0.014 7.584 1.393) 7.710 12.213 ( -5.438 2.274 -0.521) 5.917 13.247 ( 6.552 2.872 3.656) 8.034 13.667 ( -3.294 8.096 -2.859) 9.196 14.552 ( 8.694 -9.555 -2.598) 13.177 14.742 ( -6.473 -1.348 0.005) 6.612 16.567 ( -2.978 13.416 0.222) 13.744 17.584 ( -0.166 -2.516 -3.297) 4.151 18.104 ( -6.867 3.503 0.750) 7.745 18.230 ( 8.931 3.977 1.149) 9.844 19.289 ( 1.210 16.885 11.005) 20.191 20.231 ( -6.168 -15.270 -7.793) 18.220 20.285 ( -0.050 2.842 -0.533) 2.892 20.895 ( 0.030 1.338 0.403) 1.398 21.043 ( -1.263 -2.566 -2.818) 4.016 21.616 ( 5.021 -6.558 -1.250) 8.354 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( 17.877 4.827 0.732) 18.532 4.223 ( 9.895 18.363 6.474) 21.841 4.754 ( -4.138 -13.277 -3.293) 14.291 7.047 ( -10.075 30.336 3.271) 32.132 7.826 ( -14.167 -5.043 3.875) 15.529 7.959 ( -2.216 -16.032 1.042) 16.218 8.357 ( -4.868 -0.722 2.893) 5.708 8.394 ( -3.401 -2.125 -4.624) 6.121 8.580 ( 3.161 1.873 -0.910) 3.786 8.872 ( -11.356 -5.763 -6.572) 14.331 9.664 ( 2.978 -5.037 -3.336) 6.735 9.809 ( 17.587 6.811 7.362) 20.246 10.637 ( 19.060 -12.149 -3.735) 22.910 10.995 ( 2.056 -4.248 -0.741) 4.777 12.074 ( -10.045 2.573 4.150) 11.169 12.189 ( 2.185 3.494 1.432) 4.363 13.371 ( 3.694 0.859 -7.645) 8.535 13.614 ( -8.007 5.071 3.822) 10.219 14.324 ( -12.150 -8.440 -0.224) 14.796 14.936 ( 18.142 -0.037 -0.539) 18.150 16.655 ( -0.735 10.650 -0.696) 10.698 17.526 ( -1.938 -1.362 -2.425) 3.390 17.905 ( -14.311 1.011 1.101) 14.389 18.507 ( 14.205 -1.119 3.108) 14.584 19.557 ( 1.508 18.537 8.652) 20.512 19.950 ( -3.450 -13.085 -7.443) 15.444 20.276 ( -3.034 1.069 0.197) 3.222 20.922 ( 1.160 1.306 0.761) 1.906 20.997 ( -0.131 -1.605 -1.528) 2.219 21.594 ( 1.259 -5.968 -2.532) 6.604 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.876 ( 21.244 -1.668 -2.321) 21.435 4.446 ( 11.656 -14.197 -6.248) 19.403 4.717 ( 1.985 17.008 5.598) 18.015 7.022 ( -16.370 0.518 1.267) 16.427 7.482 ( -21.426 7.978 7.744) 24.139 7.816 ( -6.899 -7.228 -0.825) 10.026 8.135 ( -2.163 -11.117 -3.111) 11.745 8.297 ( -5.603 -2.044 0.233) 5.968 8.639 ( -7.187 1.786 -1.716) 7.602 8.767 ( 3.957 12.263 -2.173) 13.067 9.690 ( 8.301 -4.630 -2.780) 9.903 10.285 ( 20.460 8.973 3.983) 22.694 10.847 ( 17.813 -5.976 -4.151) 19.242 11.040 ( 6.522 -2.917 1.198) 7.245 11.917 ( -10.515 -1.731 5.000) 11.771 12.286 ( 1.579 3.464 2.601) 4.611 13.185 ( -15.742 -0.255 -9.901) 18.599 13.661 ( 4.800 0.598 4.295) 6.469 14.063 ( -9.734 -4.475 0.198) 10.715 15.248 ( 16.623 0.344 -0.019) 16.626 16.739 ( 2.006 4.725 -0.919) 5.214 17.468 ( -2.615 -0.022 -1.477) 3.003 17.693 ( -11.240 0.635 1.882) 11.414 18.686 ( 6.906 -4.712 4.404) 9.450 19.596 ( -4.401 -3.358 -14.941) 15.933 19.948 ( 1.364 7.453 16.158) 17.847 20.234 ( -0.298 2.616 -2.744) 3.803 20.961 ( 2.130 -0.616 -0.101) 2.220 20.995 ( 0.630 1.191 0.914) 1.629 21.522 ( -1.187 -4.752 -2.913) 5.699 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( 5.787 -17.658 -9.873) 21.043 4.561 ( 8.095 -0.253 1.642) 8.263 4.994 ( 10.287 2.888 1.646) 10.811 6.606 ( -13.146 -16.596 0.534) 21.179 7.343 ( -21.933 26.019 -1.795) 34.077 7.647 ( -3.146 -1.295 3.450) 4.845 8.076 ( 4.397 -5.132 -4.743) 8.256 8.183 ( -3.411 -4.711 0.627) 5.850 8.576 ( -4.499 4.308 1.101) 6.325 8.933 ( 2.061 11.078 3.853) 11.908 9.825 ( 11.453 -3.025 1.034) 11.890 10.655 ( 14.069 2.372 -1.128) 14.312 11.054 ( 2.011 3.830 0.409) 4.346 11.157 ( 15.564 -3.713 -3.597) 16.400 11.762 ( -6.192 -4.637 4.710) 9.056 12.248 ( -12.838 3.568 -1.229) 13.381 12.885 ( -7.349 -5.038 -2.619) 9.287 13.770 ( 5.206 -0.734 1.837) 5.569 13.928 ( -3.982 2.025 0.413) 4.486 15.469 ( 8.177 -1.065 -0.314) 8.252 16.810 ( 5.718 -3.144 0.563) 6.550 17.427 ( -1.305 -0.244 1.032) 1.682 17.573 ( -7.124 5.655 0.410) 9.105 18.698 ( -1.713 -5.897 2.567) 6.655 19.375 ( -3.524 -6.114 -17.531) 18.898 19.998 ( -6.778 -2.603 15.162) 16.811 20.411 ( 8.924 14.395 -1.056) 16.969 20.986 ( 2.360 -1.194 -0.501) 2.692 21.034 ( 0.285 1.326 2.263) 2.639 21.445 ( -0.550 -3.356 -1.969) 3.929 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.775 ( 1.288 -15.986 -7.409) 17.666 4.607 ( -2.032 -0.855 -0.061) 2.205 4.903 ( -13.113 -21.376 1.603) 25.129 6.531 ( 14.705 0.723 -2.004) 14.858 7.206 ( -16.993 22.497 -6.631) 28.963 7.740 ( 5.436 6.040 6.796) 10.593 8.084 ( 3.298 -1.306 -4.401) 5.652 8.096 ( -1.933 -2.993 -1.729) 3.960 8.570 ( -0.017 0.841 1.896) 2.074 9.128 ( 2.590 12.403 8.088) 15.032 10.005 ( 11.370 -4.315 4.963) 13.134 10.785 ( -7.059 -6.396 3.681) 10.212 10.899 ( -6.682 -4.291 -5.327) 9.563 11.412 ( 8.497 6.996 -4.854) 12.029 11.714 ( 3.079 0.736 -0.723) 3.247 12.021 ( -9.172 2.283 -2.365) 9.743 12.779 ( -0.251 -9.438 2.838) 9.858 13.847 ( 2.868 1.713 0.711) 3.415 13.980 ( 3.953 5.932 1.682) 7.324 15.483 ( -2.276 -5.349 -0.067) 5.814 16.886 ( 7.806 -7.490 2.724) 11.156 17.426 ( -3.018 6.594 -1.974) 7.515 17.572 ( 1.017 4.020 2.835) 5.023 18.559 ( -7.013 -5.124 -2.109) 8.938 19.134 ( -6.984 -7.016 -13.719) 16.918 19.960 ( -1.756 -3.704 10.677) 11.437 20.696 ( 6.243 15.183 0.060) 16.417 21.006 ( 1.131 -1.123 -1.570) 2.238 21.044 ( -0.654 0.292 2.134) 2.251 21.435 ( 3.693 -3.249 0.847) 4.991 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( -7.104 -8.440 -0.874) 11.066 4.324 ( -24.432 -22.153 1.505) 33.014 4.542 ( 2.295 -5.997 -4.297) 7.727 6.824 ( 3.291 12.027 -1.980) 12.625 7.218 ( 5.121 14.803 -6.149) 16.827 7.914 ( 3.401 -2.053 1.873) 4.392 8.084 ( 6.175 1.695 -4.719) 7.954 8.127 ( 3.485 3.891 0.681) 5.268 8.625 ( 4.811 -1.410 4.130) 6.495 9.334 ( 1.914 9.607 8.729) 13.121 10.159 ( -7.160 -7.048 -1.750) 10.198 10.275 ( -15.390 -2.756 4.920) 16.391 10.885 ( 0.650 -4.129 3.980) 5.772 11.490 ( 0.315 -1.025 2.966) 3.154 11.802 ( 3.061 7.146 -10.682) 13.211 12.031 ( 8.764 0.834 -6.427) 10.900 12.665 ( -4.121 -9.569 4.362) 11.295 13.915 ( 0.634 3.730 1.943) 4.253 14.180 ( 9.880 7.469 1.534) 12.480 15.320 ( -7.203 -9.131 0.958) 11.670 16.930 ( 1.230 -4.585 3.253) 5.755 17.437 ( -2.250 11.321 -6.607) 13.299 17.712 ( 8.851 -0.373 6.828) 11.185 18.370 ( -6.436 -3.709 -4.674) 8.777 18.823 ( -12.195 -8.439 -8.587) 17.137 19.987 ( 2.246 -2.445 5.533) 6.452 20.912 ( 0.951 13.613 1.949) 13.784 20.972 ( -1.718 -0.861 -1.571) 2.483 21.071 ( 2.433 1.245 -1.473) 3.105 21.500 ( 7.063 -5.999 2.808) 9.683 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( -17.881 -0.271 4.517) 18.445 3.752 ( -23.613 -7.909 2.269) 25.006 4.578 ( 14.965 -9.480 -6.396) 18.834 6.814 ( -17.999 18.924 -0.539) 26.122 7.496 ( 12.820 3.034 -4.564) 13.942 7.913 ( 5.678 -4.443 -2.566) 7.653 8.164 ( 3.948 3.407 -4.562) 6.929 8.309 ( 10.672 -3.567 2.905) 11.621 8.735 ( 4.288 -2.392 3.740) 6.172 9.442 ( -8.599 7.148 -2.262) 11.408 9.639 ( -18.479 2.759 12.647) 22.562 10.405 ( 11.812 -9.823 -0.564) 15.373 10.923 ( 1.146 5.104 10.395) 11.637 11.463 ( -2.543 -4.543 1.965) 5.565 11.849 ( 2.920 3.318 -8.167) 9.286 12.085 ( 4.679 -7.263 -11.571) 14.440 12.556 ( -3.715 -0.341 3.842) 5.356 13.957 ( -1.977 4.460 2.185) 5.345 14.451 ( 11.820 5.187 0.456) 12.916 15.108 ( -6.508 -8.715 1.571) 10.990 16.867 ( -8.713 2.660 1.862) 9.298 17.502 ( 1.608 9.623 -6.704) 11.838 17.912 ( 10.425 -2.812 4.857) 11.840 18.243 ( -1.489 -2.298 -1.058) 2.935 18.473 ( -13.476 -7.658 -4.379) 16.107 20.034 ( 2.809 -1.160 0.640) 3.106 20.934 ( -1.207 0.420 -1.249) 1.787 20.999 ( -4.413 5.857 5.973) 9.458 21.149 ( 4.257 6.922 -6.591) 10.463 21.566 ( 7.444 -9.892 2.375) 12.606 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( -9.553 11.402 5.468) 15.848 3.826 ( -0.348 22.480 3.023) 22.685 4.574 ( 19.258 -5.823 -2.814) 20.315 6.850 ( -22.102 4.567 3.291) 22.807 7.517 ( 3.982 -13.727 1.574) 14.380 7.801 ( 4.493 0.569 -0.234) 4.535 8.129 ( -5.057 -6.031 2.277) 8.194 8.290 ( 4.644 -5.630 -1.832) 7.525 8.635 ( -6.535 3.615 -4.598) 8.770 9.532 ( 0.888 0.104 -5.707) 5.776 10.008 ( 2.447 3.913 12.025) 12.880 10.264 ( 16.421 -0.813 -3.096) 16.730 10.969 ( -7.208 -6.524 -8.344) 12.812 11.421 ( -0.821 8.458 -2.242) 8.788 11.833 ( -0.918 -6.866 9.553) 11.800 11.934 ( 0.545 0.863 4.988) 5.091 12.595 ( 0.535 5.158 -6.257) 8.127 13.987 ( -2.714 -0.586 -1.770) 3.293 14.372 ( -6.619 -9.907 -0.976) 11.955 15.159 ( 8.195 7.745 -0.958) 11.316 16.858 ( -8.109 5.396 -0.821) 9.775 17.554 ( -1.416 -4.295 1.342) 4.717 17.825 ( -1.357 -3.738 -6.532) 7.648 18.239 ( 2.239 3.978 2.207) 5.070 18.541 ( 8.421 7.102 10.776) 15.410 20.022 ( 0.604 0.392 -4.351) 4.410 20.946 ( 0.998 0.512 0.822) 1.391 21.057 ( -4.458 -0.450 3.821) 5.888 21.211 ( 3.427 -8.309 -7.343) 11.606 21.407 ( -3.043 2.410 0.391) 3.901 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( -13.242 17.771 11.895) 25.153 4.155 ( 0.534 32.464 1.056) 32.486 4.861 ( 20.973 -5.627 -2.266) 21.833 6.473 ( -25.539 4.932 3.521) 26.248 7.489 ( 5.871 -11.978 2.091) 13.502 7.841 ( 1.840 -2.662 -0.443) 3.266 8.027 ( -2.011 -1.512 2.692) 3.684 8.288 ( 7.910 -15.808 -2.010) 17.791 8.585 ( -0.155 3.196 -2.725) 4.203 9.449 ( -0.873 -9.007 -6.914) 11.388 9.982 ( -8.504 2.646 1.439) 9.022 10.710 ( 23.566 3.247 -0.584) 23.796 10.749 ( -10.727 2.035 0.317) 10.923 11.420 ( -4.178 2.630 -1.299) 5.105 11.761 ( -6.758 -8.233 11.749) 15.859 12.022 ( 9.807 -0.493 0.383) 9.827 12.642 ( 0.754 9.847 -7.361) 12.318 13.895 ( -5.599 -1.031 -1.760) 5.959 14.166 ( -3.221 -10.192 -1.888) 10.855 15.362 ( 5.935 6.449 -0.518) 8.779 16.749 ( -11.126 8.717 -1.039) 14.172 17.481 ( -3.468 0.109 -2.940) 4.547 17.753 ( 3.946 -9.298 -2.159) 10.329 18.388 ( 4.457 7.919 3.658) 9.796 18.805 ( 4.117 8.502 13.384) 16.382 20.021 ( 2.881 1.402 -7.767) 8.402 20.939 ( -5.676 -4.723 4.853) 8.836 20.995 ( 0.626 -1.939 -0.805) 2.190 21.134 ( 3.099 -6.476 -9.042) 11.546 21.380 ( -2.659 1.821 1.065) 3.394 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( -8.664 21.485 14.845) 27.515 4.326 ( -16.247 22.652 0.441) 27.879 5.098 ( 10.955 -5.515 -1.312) 12.335 6.282 ( -5.166 15.902 1.717) 16.808 7.515 ( 6.446 -4.456 1.823) 8.045 7.834 ( 2.955 -4.672 -1.162) 5.649 8.083 ( 4.979 2.657 3.344) 6.560 8.219 ( 7.436 -20.771 -2.111) 22.163 8.643 ( 5.333 -0.620 -0.788) 5.426 9.262 ( -2.110 -13.901 -5.994) 15.284 9.842 ( -7.926 -1.156 -3.618) 8.789 10.540 ( -17.666 5.675 5.385) 19.321 11.033 ( 7.474 2.182 -3.740) 8.638 11.263 ( -12.519 -12.932 9.407) 20.309 11.711 ( 4.074 6.067 -5.619) 9.219 12.242 ( 10.834 0.482 3.969) 11.548 12.743 ( 5.571 8.873 -3.173) 10.947 13.772 ( -6.656 0.696 -1.204) 6.800 14.060 ( 3.362 -8.244 -2.619) 9.281 15.432 ( -3.831 1.805 0.516) 4.266 16.672 ( -7.629 10.459 -0.681) 12.963 17.433 ( -0.044 2.671 -5.390) 6.015 17.738 ( 5.462 -9.647 0.634) 11.104 18.544 ( 0.197 9.785 1.500) 9.901 19.013 ( 0.880 9.149 15.217) 17.777 20.071 ( 5.914 3.054 -8.590) 10.867 20.741 ( -6.250 -14.650 -0.656) 15.941 20.970 ( -1.930 -0.288 -1.075) 2.227 21.107 ( 2.525 -1.823 -6.235) 6.970 21.381 ( 0.644 0.413 2.954) 3.052 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.577 ( -6.747 18.753 12.484) 23.517 4.104 ( -25.299 14.117 2.936) 29.119 5.075 ( 0.329 -13.224 -2.270) 13.421 6.622 ( 11.893 29.806 -0.034) 32.091 7.674 ( 10.934 4.131 1.130) 11.743 7.853 ( 5.449 -3.288 -2.396) 6.800 8.106 ( 3.447 -13.715 -1.164) 14.190 8.279 ( 13.422 -4.417 2.399) 14.332 8.709 ( 4.559 -4.177 0.276) 6.189 9.052 ( -2.742 -15.759 -1.337) 16.051 9.662 ( -6.745 -1.860 -4.613) 8.380 10.301 ( -20.448 4.890 6.008) 21.866 10.862 ( -18.056 -12.003 4.238) 22.092 11.075 ( -0.566 -2.750 -4.590) 5.380 11.885 ( 9.553 7.164 -5.399) 13.104 12.335 ( -1.573 1.091 -0.947) 2.135 13.013 ( 13.069 5.489 7.713) 16.137 13.684 ( -3.746 3.633 -3.985) 6.566 14.091 ( 9.797 -5.603 -1.976) 11.458 15.268 ( -14.257 -1.876 0.300) 14.383 16.678 ( -3.594 8.929 0.406) 9.634 17.474 ( 4.603 1.321 -3.708) 6.056 17.768 ( 7.507 -5.430 0.211) 9.268 18.576 ( -7.821 9.193 -0.764) 12.094 19.226 ( 2.038 11.471 14.627) 18.700 20.172 ( 6.622 3.909 -7.543) 10.772 20.446 ( -6.784 -18.345 -3.575) 19.883 20.933 ( -2.096 1.059 -0.020) 2.348 21.074 ( 0.019 -2.693 -4.659) 5.381 21.442 ( 3.534 -0.051 2.973) 4.618 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.488 ( -17.207 3.065 1.860) 17.576 4.083 ( -3.253 21.193 9.812) 23.580 4.876 ( -2.851 -16.409 -3.945) 17.116 7.107 ( 7.953 26.476 0.682) 27.654 7.849 ( 3.691 -1.642 -1.041) 4.172 7.937 ( 10.604 -8.285 -5.892) 14.691 8.151 ( 11.022 8.421 -0.310) 13.874 8.426 ( 4.861 -4.762 -0.060) 6.805 8.734 ( 0.545 -6.352 2.417) 6.818 8.849 ( 0.642 -14.551 7.588) 16.423 9.575 ( -0.168 1.935 -3.859) 4.320 9.983 ( -20.290 -1.358 -0.724) 20.348 10.495 ( -14.085 -5.417 3.347) 15.458 10.996 ( -1.789 -3.063 -3.156) 4.748 12.075 ( 7.237 5.005 -2.207) 9.072 12.271 ( -3.077 -1.013 -2.642) 4.180 13.254 ( 2.444 2.320 9.538) 10.116 13.692 ( 3.552 3.652 -5.508) 7.503 14.253 ( 13.663 -1.893 -1.061) 13.834 14.960 ( -17.279 -2.463 -0.165) 17.454 16.706 ( -1.869 4.928 0.677) 5.314 17.522 ( 2.517 -2.131 -0.843) 3.404 17.929 ( 14.166 -0.484 -0.147) 14.175 18.458 ( -13.656 6.514 -1.631) 15.217 19.478 ( 2.964 14.171 12.264) 18.974 20.110 ( -5.018 -17.390 -10.071) 20.713 20.277 ( 3.358 1.609 -0.512) 3.758 20.921 ( -1.037 1.332 0.644) 1.807 21.015 ( -0.723 -2.712 -2.806) 3.969 21.512 ( 2.734 -0.186 1.536) 3.141 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.333 ( -0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 -0.000 0.000) 0.000 7.331 ( -0.000 -0.000 0.000) 0.000 7.839 ( -0.000 0.000 0.000) 0.000 7.985 ( -0.000 0.000 0.000) 0.000 8.396 ( -0.000 0.000 0.000) 0.000 8.425 ( -0.000 -0.000 0.000) 0.000 8.563 ( 0.000 0.000 0.000) 0.000 8.928 ( 0.000 -0.000 0.000) 0.000 9.641 ( -0.000 -0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 10.355 ( -0.000 0.000 0.000) 0.000 10.950 ( -0.000 0.000 0.000) 0.000 12.191 ( -0.000 -0.000 -0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 13.298 ( 0.000 0.000 0.000) 0.000 13.743 ( -0.000 0.000 0.000) 0.000 14.424 ( -0.000 0.000 0.000) 0.000 14.731 ( 0.000 0.000 0.000) 0.000 16.716 ( 0.000 0.000 0.000) 0.000 17.526 ( -0.000 0.000 0.000) 0.000 18.146 ( -0.000 0.000 0.000) 0.000 18.278 ( 0.000 -0.000 0.000) 0.000 19.698 ( 0.000 -0.000 0.000) 0.000 19.858 ( 0.000 0.000 0.000) 0.000 20.317 ( 0.000 0.000 0.000) 0.000 20.924 ( 0.000 -0.000 0.000) 0.000 20.982 ( 0.000 0.000 0.000) 0.000 21.541 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -0.000 0.000 19.416) 19.416 0.347 ( -0.000 0.000 19.416) 19.416 0.901 ( -0.000 0.000 50.294) 50.294 5.893 ( -0.000 0.000 0.417) 0.417 8.128 ( 0.000 -0.000 -6.043) 6.043 8.128 ( 0.000 -0.000 -6.043) 6.043 9.414 ( 0.000 -0.000 -8.349) 8.349 9.480 ( -0.000 0.000 3.227) 3.227 9.480 ( -0.000 0.000 3.227) 3.227 10.080 ( -0.000 0.000 4.230) 4.230 10.591 ( 0.000 -0.000 -0.431) 0.431 10.591 ( 0.000 -0.000 -0.431) 0.431 10.851 ( -0.000 0.000 4.773) 4.773 10.851 ( -0.000 0.000 4.773) 4.773 11.739 ( -0.000 0.000 0.187) 0.187 12.471 ( 0.000 -0.000 -0.747) 0.747 12.471 ( 0.000 0.000 -0.747) 0.747 13.696 ( 0.000 -0.000 -1.906) 1.906 14.929 ( 0.000 -0.000 -0.774) 0.774 14.929 ( 0.000 -0.000 -0.774) 0.774 15.584 ( 0.000 -0.000 -1.636) 1.636 15.584 ( 0.000 -0.000 -1.636) 1.636 17.519 ( -0.000 0.000 2.054) 2.054 17.519 ( -0.000 0.000 2.054) 2.054 18.218 ( 0.000 -0.000 -0.967) 0.967 19.872 ( -0.000 0.000 0.620) 0.620 20.776 ( -0.000 0.000 0.219) 0.219 21.278 ( 0.000 -0.000 -0.242) 0.242 21.278 ( 0.000 -0.000 -0.242) 0.242 22.474 ( -0.000 0.000 0.549) 0.549 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 40.328 -1.569 8.252) 41.193 1.213 ( 8.438 9.428 39.524) 41.500 1.772 ( 59.817 43.404 10.333) 74.624 5.832 ( -4.461 -2.599 -0.104) 5.164 8.036 ( -2.049 0.732 -9.321) 9.572 8.137 ( -2.518 3.007 -2.361) 4.577 8.702 ( -22.462 -21.599 9.638) 32.619 9.373 ( -14.888 -11.861 19.376) 27.162 9.414 ( -15.584 -0.564 6.716) 16.979 9.737 ( 8.784 -3.085 2.875) 9.744 10.497 ( -13.355 -0.022 2.664) 13.618 10.730 ( -2.942 9.518 1.116) 10.025 10.886 ( 9.985 -10.518 9.251) 17.202 11.132 ( 8.485 5.772 -10.652) 14.791 11.744 ( -1.482 0.267 0.838) 1.723 12.358 ( -4.412 -1.923 -5.513) 7.318 12.544 ( -0.113 2.708 3.138) 4.146 13.275 ( -3.337 -2.812 7.454) 8.637 14.939 ( -5.051 9.002 -0.379) 10.330 15.033 ( 11.963 -0.744 -0.156) 11.987 15.537 ( 0.066 -4.842 -2.906) 5.647 17.210 ( 31.861 17.062 -36.782) 51.567 17.574 ( 2.586 4.409 2.695) 5.779 17.781 ( 35.075 18.141 -32.742) 51.297 18.258 ( 5.091 2.791 -2.684) 6.396 19.927 ( 4.033 2.230 -2.173) 5.095 20.799 ( 1.415 0.708 0.438) 1.642 21.213 ( -2.866 -6.630 -0.376) 7.233 21.266 ( -0.751 -0.453 -0.549) 1.034 22.339 ( -10.539 -1.078 6.048) 12.199 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 19.742 5.365 26.665) 33.608 1.809 ( 29.088 12.247 13.334) 34.262 3.283 ( 60.207 39.531 4.105) 72.142 5.699 ( -6.642 -4.386 -0.957) 8.017 7.967 ( -1.833 1.676 -9.504) 9.824 8.066 ( -7.761 1.488 5.019) 9.361 8.376 ( -2.970 -9.692 -7.415) 12.560 9.135 ( -18.148 -5.371 9.610) 21.226 9.183 ( -8.533 -9.403 17.483) 21.608 9.758 ( -2.533 -8.760 3.004) 9.601 10.252 ( -16.694 3.212 4.733) 17.647 10.802 ( 7.149 1.102 -6.975) 10.049 11.004 ( 4.891 -7.451 11.064) 14.208 11.215 ( 3.487 2.862 -7.387) 8.655 11.713 ( -3.532 1.719 0.925) 4.035 12.247 ( -2.498 1.572 -7.464) 8.026 12.547 ( -4.327 1.730 2.837) 5.456 13.383 ( 8.717 2.453 3.632) 9.756 14.916 ( -9.521 11.910 -0.745) 15.266 15.262 ( 14.615 -10.662 0.774) 18.107 15.510 ( 5.118 4.410 -3.430) 7.577 17.338 ( 4.101 -0.012 -9.433) 10.286 17.714 ( 5.308 5.575 3.420) 8.424 18.121 ( 9.503 5.426 -18.251) 21.280 18.420 ( 10.564 5.404 -12.440) 17.192 20.006 ( 4.099 2.218 -3.448) 5.797 20.830 ( 0.546 0.425 1.772) 1.903 21.074 ( -1.909 -9.968 -1.791) 10.306 21.240 ( -0.305 -1.548 -1.523) 2.192 22.190 ( -11.637 2.696 3.542) 12.460 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 18.495 12.913 27.409) 35.497 2.497 ( 29.498 11.144 3.595) 31.737 4.644 ( 53.243 32.148 1.600) 62.216 5.495 ( -9.474 -7.661 -1.809) 12.318 7.826 ( -7.882 -4.457 -2.467) 9.385 8.042 ( 1.406 4.658 -4.606) 6.699 8.272 ( -0.397 1.242 -5.522) 5.674 8.782 ( -19.361 -7.980 8.247) 22.507 9.086 ( -7.479 -6.420 13.061) 16.362 9.539 ( -9.123 -13.537 4.992) 17.070 10.081 ( -9.199 0.005 6.596) 11.319 10.907 ( 10.758 -3.470 -7.410) 13.516 10.976 ( -5.772 -2.015 0.359) 6.124 11.254 ( -0.124 1.694 -1.160) 2.057 11.687 ( -0.318 1.105 1.119) 1.605 12.237 ( -0.181 6.192 -4.228) 7.500 12.464 ( -5.735 -1.510 -0.243) 5.935 13.604 ( 10.437 3.354 2.242) 11.190 14.833 ( -12.751 11.545 -1.902) 17.306 15.230 ( 2.710 -15.614 -0.668) 15.862 15.851 ( 20.585 10.774 -0.186) 23.235 17.350 ( 4.185 -0.576 -8.287) 9.302 17.887 ( 6.023 4.640 1.839) 7.822 18.166 ( 0.875 2.692 -5.615) 6.288 18.524 ( 3.634 1.151 -2.864) 4.768 20.058 ( 2.020 0.844 -3.448) 4.085 20.842 ( -0.126 -0.978 2.598) 2.779 20.964 ( 1.581 -7.074 -3.229) 7.935 21.208 ( 0.464 -2.672 -2.918) 3.984 22.017 ( -13.538 3.263 0.734) 13.945 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 19.401 17.231 21.967) 33.998 3.058 ( 22.720 8.159 0.951) 24.159 5.163 ( -15.420 -11.694 -0.970) 19.377 5.776 ( 43.935 22.789 -0.621) 49.498 7.653 ( -5.629 -2.415 -1.640) 6.341 8.091 ( 1.261 2.142 -6.845) 7.282 8.309 ( 0.068 11.685 -1.929) 11.843 8.443 ( -12.680 -10.618 5.580) 17.454 8.836 ( -18.000 -7.680 2.931) 19.788 9.392 ( 3.233 -12.311 8.321) 15.206 10.001 ( -4.537 -1.398 9.661) 10.764 10.775 ( -12.587 -6.165 0.344) 14.020 11.025 ( 9.637 -2.072 -7.034) 12.110 11.213 ( -5.745 8.635 -6.545) 12.264 11.761 ( 7.362 -3.294 3.693) 8.871 12.183 ( -11.159 0.729 -1.400) 11.270 12.426 ( 3.749 2.941 -1.423) 4.973 13.811 ( 8.539 3.126 0.072) 9.094 14.692 ( -12.376 7.249 -2.167) 14.505 15.121 ( 0.805 -10.547 -0.882) 10.615 16.329 ( 20.731 10.459 1.124) 23.247 17.383 ( 6.183 -0.685 -8.021) 10.150 17.978 ( 1.125 -0.643 -3.998) 4.203 18.186 ( -1.316 5.717 3.061) 6.617 18.559 ( -0.238 -2.495 8.251) 8.623 20.045 ( -0.799 -0.797 -3.718) 3.886 20.863 ( 4.201 -2.208 -0.794) 4.812 20.953 ( 2.632 -0.793 -0.001) 2.749 21.168 ( 1.199 -3.771 -4.596) 6.065 21.801 ( -14.612 2.687 -0.515) 14.866 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 9.773 10.386 9.123) 16.929 3.508 ( 19.150 9.768 6.337) 22.412 4.710 ( -18.652 -14.415 -2.043) 23.661 6.631 ( 31.777 15.488 2.476) 35.437 7.575 ( -0.719 -1.735 0.064) 1.879 7.939 ( -13.798 -5.665 -3.749) 15.380 8.225 ( -2.811 -4.798 1.158) 5.680 8.450 ( -10.181 6.877 1.807) 12.418 8.546 ( 3.269 1.889 -3.728) 5.306 9.407 ( 5.597 -8.007 -0.437) 9.779 10.032 ( 1.752 -1.533 13.807) 14.002 10.412 ( -20.368 -7.616 -2.005) 21.837 11.059 ( -1.632 5.727 -11.088) 12.585 11.249 ( 5.729 3.651 -3.680) 7.726 11.873 ( 8.072 -7.432 4.504) 11.861 11.958 ( -8.926 -2.817 -1.895) 9.550 12.546 ( 2.289 6.805 2.875) 7.734 13.951 ( 4.833 2.386 -1.736) 5.663 14.555 ( -7.301 2.894 -1.513) 7.998 15.043 ( -0.279 -4.690 -1.311) 4.878 16.735 ( 13.334 8.170 0.369) 15.643 17.469 ( 9.482 -0.854 -4.723) 10.627 17.888 ( -4.735 -2.220 -5.223) 7.391 18.243 ( -2.424 5.948 3.410) 7.272 18.559 ( -2.954 -6.565 14.619) 16.295 19.999 ( -0.565 0.418 -3.961) 4.023 20.903 ( 3.518 -2.218 -2.429) 4.816 21.051 ( 4.306 3.316 1.962) 5.778 21.126 ( 4.122 -4.128 -5.532) 8.040 21.578 ( -13.126 1.997 -0.002) 13.277 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.332 ( -4.802 -2.370 0.697) 5.400 3.741 ( -9.550 -5.254 1.195) 10.965 4.473 ( 7.389 4.970 5.213) 10.319 7.033 ( -4.842 -3.125 1.850) 6.053 7.601 ( 3.180 -1.890 2.047) 4.228 7.739 ( 8.799 2.044 1.810) 9.213 8.195 ( 2.338 -3.215 -1.185) 4.148 8.316 ( -5.947 2.890 3.443) 7.455 8.695 ( 2.677 6.199 -2.862) 7.334 9.432 ( 5.437 1.470 -8.193) 9.942 9.831 ( -27.089 -11.607 -1.236) 29.497 10.249 ( 8.751 2.072 4.691) 10.143 11.005 ( -4.248 9.186 -13.733) 17.059 11.329 ( 4.366 -3.353 -2.582) 6.080 11.868 ( 1.249 -0.620 1.682) 2.185 11.957 ( 8.016 -9.652 5.690) 13.777 12.642 ( -2.917 7.366 6.167) 10.040 13.997 ( -0.296 0.926 -2.348) 2.542 14.506 ( 0.985 0.690 -0.723) 1.403 15.003 ( -0.644 0.435 -2.145) 2.282 16.892 ( -1.018 0.276 -1.616) 1.930 17.623 ( 7.020 -0.862 3.776) 8.017 17.797 ( 2.364 2.947 -7.649) 8.531 18.248 ( -3.987 3.806 1.293) 5.662 18.479 ( -6.683 -9.814 13.675) 18.110 20.014 ( 2.202 3.396 -1.671) 4.379 20.917 ( 1.797 -1.608 -2.095) 3.195 21.013 ( -2.439 -2.692 -5.447) 6.547 21.304 ( 10.086 5.097 3.264) 11.762 21.411 ( -6.489 -0.061 -0.357) 6.499 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( -26.404 -17.850 -2.367) 31.959 3.418 ( -14.519 -6.032 -0.957) 15.751 4.873 ( 16.443 11.754 6.005) 21.086 6.598 ( -26.990 -16.444 0.818) 31.615 7.636 ( 2.084 0.292 3.452) 4.043 8.111 ( 7.502 7.103 5.255) 11.591 8.249 ( 12.998 -5.388 2.567) 14.302 8.377 ( 7.758 7.284 -0.694) 10.664 8.692 ( -2.399 -5.071 2.317) 6.070 9.226 ( -22.911 -5.863 -12.174) 26.598 9.546 ( 4.247 12.411 -8.103) 15.418 10.475 ( 12.611 -0.100 0.056) 12.612 10.959 ( -4.588 14.559 -12.396) 19.664 11.347 ( 5.074 -5.321 -0.101) 7.353 11.867 ( 1.818 -11.036 3.329) 11.670 12.084 ( 9.956 -3.701 4.122) 11.394 12.663 ( -7.755 7.287 8.401) 13.558 13.921 ( -6.452 -1.152 -3.020) 7.216 14.598 ( 9.727 -1.923 0.896) 9.956 15.004 ( -1.190 6.312 -3.526) 7.327 16.698 ( -13.659 -8.113 -2.068) 16.021 17.686 ( -2.179 1.609 7.986) 8.432 17.973 ( 14.023 4.352 -6.482) 16.050 18.201 ( -3.966 0.169 -3.382) 5.215 18.323 ( -7.352 -7.143 11.387) 15.321 20.113 ( 3.682 4.576 2.342) 6.324 20.870 ( -2.275 -3.508 -5.494) 6.904 20.948 ( -0.567 1.065 -0.756) 1.423 21.319 ( -4.143 1.014 1.445) 4.503 21.572 ( 12.724 3.377 0.873) 13.193 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -31.983 -19.452 -1.621) 37.469 3.038 ( -21.151 -10.492 -0.011) 23.610 5.226 ( 8.326 4.792 2.326) 9.884 5.841 ( -37.628 -21.316 1.863) 43.286 7.713 ( 3.077 1.147 2.626) 4.205 8.265 ( 6.600 7.390 0.097) 9.908 8.361 ( 1.151 0.270 3.299) 3.505 8.527 ( -5.355 -8.913 4.859) 11.477 8.632 ( 5.780 -1.174 -4.450) 7.388 9.065 ( 14.608 5.657 -5.339) 16.550 9.708 ( 2.578 16.876 -6.993) 18.448 10.619 ( 7.104 -1.086 -8.661) 11.254 11.032 ( 0.372 16.089 -3.513) 16.473 11.409 ( 4.853 -2.184 3.826) 6.555 11.767 ( 0.071 -14.405 2.797) 14.674 12.212 ( 9.101 -6.931 -1.003) 11.484 12.633 ( -9.895 7.384 9.263) 15.435 13.732 ( -10.516 -2.476 -3.682) 11.414 14.767 ( 13.321 -8.837 1.808) 16.088 15.055 ( -1.854 14.921 -4.341) 15.650 16.305 ( -17.836 -11.552 -1.137) 21.281 17.665 ( -6.493 -1.485 8.956) 11.161 18.004 ( -6.721 -7.422 -2.893) 10.423 18.233 ( 6.723 6.370 -9.170) 13.033 18.332 ( 6.718 2.223 10.078) 12.314 20.229 ( 2.015 2.748 5.106) 6.139 20.771 ( -1.943 -1.686 -4.307) 5.017 20.967 ( 0.980 2.328 -0.299) 2.543 21.283 ( -0.844 -0.559 -0.403) 1.090 21.810 ( 9.854 3.634 0.608) 10.520 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -31.137 -16.170 3.274) 35.238 2.473 ( -28.481 -17.065 1.338) 33.230 4.598 ( -54.423 -32.283 -0.141) 63.278 5.586 ( 6.718 4.487 0.521) 8.096 7.781 ( 2.742 0.906 1.359) 3.191 8.351 ( -6.057 2.071 4.004) 7.550 8.405 ( 3.885 5.527 -14.645) 16.128 8.545 ( 9.377 -0.951 11.359) 14.760 8.735 ( 11.021 2.339 1.476) 11.363 9.436 ( 19.393 2.175 -0.824) 19.532 9.897 ( 3.779 17.598 -3.942) 18.426 10.634 ( 2.601 0.800 -10.814) 11.151 11.154 ( -2.026 4.704 4.653) 6.920 11.501 ( 1.949 1.410 7.553) 7.926 11.656 ( 0.691 -8.364 -0.554) 8.411 12.253 ( 9.248 -10.390 -6.715) 15.445 12.588 ( -9.608 7.340 8.446) 14.748 13.490 ( -11.316 -2.873 -3.527) 12.196 14.864 ( 8.717 -9.993 -0.596) 13.274 15.183 ( -0.851 16.517 -2.570) 16.737 15.885 ( -15.339 -12.761 0.592) 19.962 17.559 ( -6.220 -4.211 5.216) 9.145 17.802 ( -7.936 -3.823 -1.441) 8.925 18.282 ( 1.224 0.905 -2.604) 3.016 18.620 ( 12.887 7.121 1.545) 14.804 20.269 ( -1.822 -0.704 3.752) 4.230 20.734 ( 0.549 0.117 -1.682) 1.773 21.030 ( 3.264 3.485 -0.234) 4.781 21.268 ( 0.973 -1.716 -1.815) 2.681 21.983 ( 5.560 3.816 0.241) 6.748 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( -25.555 -9.855 17.439) 32.470 1.752 ( -32.206 -23.956 3.251) 40.270 3.191 ( -66.110 -36.835 -0.576) 75.682 5.740 ( 6.018 3.384 -1.311) 7.028 7.870 ( 4.229 3.325 3.861) 6.622 8.274 ( -6.455 3.431 -1.331) 7.430 8.413 ( 4.270 -4.741 -8.493) 10.623 8.806 ( 12.203 4.729 11.252) 17.260 9.064 ( 14.657 9.076 3.788) 17.651 9.676 ( 7.705 -0.411 -1.642) 7.889 10.165 ( 8.847 15.836 -0.171) 18.140 10.616 ( 1.224 -0.048 -7.376) 7.477 11.086 ( -6.666 -7.588 8.666) 13.309 11.519 ( -5.522 -3.111 2.902) 6.971 11.654 ( 2.722 2.753 0.605) 3.918 12.289 ( 10.514 -6.088 -8.663) 14.922 12.553 ( -7.332 6.074 6.945) 11.785 13.264 ( -8.713 -3.003 -2.476) 9.542 14.891 ( 4.496 -4.933 -2.006) 6.969 15.222 ( -9.772 6.884 -1.587) 12.058 15.608 ( -2.798 -7.859 1.686) 8.511 17.460 ( -2.591 -3.175 0.905) 4.197 17.645 ( -6.562 -1.941 0.575) 6.867 18.274 ( -0.773 -0.435 -1.972) 2.162 18.862 ( 8.383 4.973 -10.416) 14.265 20.202 ( -4.132 -2.357 -3.743) 6.053 20.758 ( 1.222 0.452 2.127) 2.494 21.136 ( 5.686 1.845 -0.824) 6.034 21.259 ( 2.018 -2.524 -2.538) 4.109 22.089 ( 1.218 5.358 2.582) 6.071 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -25.580 37.644 10.041) 46.607 1.458 ( 6.561 17.472 35.098) 39.751 1.754 ( 9.960 61.986 15.453) 64.654 5.830 ( -0.023 -5.872 0.349) 5.882 7.988 ( 1.314 -1.810 -8.654) 8.939 8.096 ( 2.671 0.894 -6.621) 7.195 8.764 ( -6.245 -30.217 5.669) 31.372 9.366 ( 6.965 -11.604 8.032) 15.738 9.580 ( 1.108 -19.764 17.271) 26.270 9.703 ( -10.248 3.244 1.915) 10.919 10.473 ( 1.338 -10.895 0.224) 10.980 10.661 ( 6.575 -7.139 6.601) 11.738 11.074 ( -0.362 11.694 -1.249) 11.766 11.158 ( -4.821 17.778 -0.101) 18.420 11.756 ( 1.151 0.107 0.743) 1.375 12.275 ( -0.127 -10.785 -6.391) 12.537 12.615 ( 3.052 7.054 3.665) 8.515 13.247 ( -0.241 -12.586 5.487) 13.732 14.879 ( 3.438 -2.486 -1.656) 4.555 15.032 ( 0.646 8.686 -0.168) 8.711 15.572 ( -5.773 0.516 -1.802) 6.069 16.935 ( -0.084 57.945 -46.847) 74.514 17.585 ( 2.410 4.208 2.024) 5.255 17.689 ( -2.272 19.603 -7.695) 21.181 18.245 ( -0.082 4.610 -1.954) 5.007 19.925 ( -0.004 4.335 -0.970) 4.442 20.799 ( -0.173 1.521 0.193) 1.542 21.215 ( -3.879 -5.448 -0.389) 6.699 21.261 ( 0.316 -1.483 -0.303) 1.547 22.366 ( 3.666 -9.182 4.201) 10.742 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 10.762 38.773 4.484) 40.488 1.857 ( 6.126 9.811 37.936) 39.660 2.941 ( 38.122 59.157 5.567) 70.596 5.731 ( -3.763 -7.207 0.018) 8.130 7.935 ( -0.244 0.837 -8.945) 8.987 8.156 ( 6.002 2.682 -8.689) 10.896 8.339 ( -14.710 -16.821 5.973) 23.130 9.287 ( -6.419 -15.395 19.842) 25.921 9.455 ( -15.370 -7.800 8.623) 19.273 9.604 ( 6.566 -9.790 -0.582) 11.802 10.376 ( -1.328 -5.917 -8.317) 10.293 10.775 ( 13.153 -15.194 11.769) 23.289 10.987 ( -18.890 9.107 8.143) 22.497 11.255 ( -2.147 13.675 -9.190) 16.616 11.779 ( -0.938 1.648 1.508) 2.423 12.137 ( 3.781 -11.758 -5.703) 13.604 12.738 ( -4.036 11.277 2.757) 12.291 13.260 ( 7.849 -2.104 2.503) 8.502 14.940 ( 8.391 -6.678 1.323) 10.805 15.203 ( 2.421 15.644 -2.102) 15.969 15.422 ( -4.420 -1.956 -4.996) 6.951 17.201 ( 6.334 12.516 -19.576) 24.083 17.737 ( 4.927 7.685 3.408) 9.744 17.884 ( 9.627 17.608 -19.182) 27.761 18.325 ( 3.995 7.799 -3.721) 9.520 19.980 ( 1.641 4.535 -1.464) 5.040 20.822 ( 1.136 1.190 -0.094) 1.648 21.041 ( -6.099 -10.133 0.752) 11.851 21.231 ( -1.038 -2.428 -0.268) 2.654 22.327 ( -2.425 -4.589 1.762) 5.481 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 17.153 28.433 13.769) 35.948 2.356 ( 14.578 19.195 20.697) 31.770 4.185 ( 42.240 44.424 1.651) 61.323 5.557 ( -7.289 -8.894 -0.079) 11.500 7.889 ( -2.610 2.043 -8.345) 8.980 8.033 ( -5.777 -10.067 2.118) 11.798 8.237 ( 3.127 5.579 -5.840) 8.660 9.102 ( -19.714 -10.312 9.643) 24.248 9.175 ( -3.755 -11.467 16.786) 20.673 9.522 ( -3.634 -14.058 -1.142) 14.565 10.215 ( -4.265 -9.587 0.462) 10.503 10.818 ( -4.561 -1.426 0.599) 4.816 10.931 ( 6.314 -4.088 6.820) 10.153 11.255 ( -2.435 8.351 -8.572) 12.213 11.725 ( -4.685 -1.929 -3.409) 6.107 12.163 ( 8.854 -2.849 1.065) 9.362 12.703 ( -12.932 10.299 -0.514) 16.539 13.456 ( 11.438 1.771 2.784) 11.904 14.986 ( 5.888 -13.800 -0.218) 15.005 15.180 ( -13.772 12.095 -1.566) 18.396 15.591 ( 19.407 7.860 -3.929) 21.304 17.244 ( 1.896 3.184 -9.980) 10.646 17.900 ( 1.740 7.589 2.320) 8.124 18.082 ( 9.313 8.357 -9.801) 15.894 18.466 ( 4.620 7.423 -2.629) 9.130 20.038 ( 1.137 3.011 -1.348) 3.489 20.847 ( -3.793 -10.302 0.001) 10.978 20.858 ( 2.149 0.634 -0.652) 2.333 21.180 ( -1.250 -3.040 -0.760) 3.373 22.209 ( -7.415 -2.641 -0.645) 7.898 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 16.614 23.076 21.954) 35.923 2.928 ( 15.111 25.610 4.838) 30.126 5.227 ( 18.979 9.348 -6.552) 22.147 5.329 ( 9.228 7.337 5.875) 13.172 7.750 ( -7.810 -0.320 -1.112) 7.895 7.995 ( 4.541 -0.817 -5.151) 6.915 8.306 ( 2.680 4.043 -5.459) 7.303 8.718 ( -18.819 -9.719 10.285) 23.545 9.045 ( -12.549 -9.005 4.486) 16.084 9.264 ( -1.510 -16.027 3.344) 16.442 10.093 ( -3.117 -8.491 11.326) 14.494 10.781 ( 5.359 -6.089 -8.713) 11.904 10.960 ( -5.659 5.824 1.720) 8.301 11.293 ( 2.515 4.050 -2.875) 5.567 11.595 ( -0.177 -6.186 -6.407) 8.908 12.328 ( 4.943 1.841 4.908) 7.205 12.519 ( -14.432 7.084 -2.321) 16.243 13.680 ( 10.080 2.546 1.115) 10.456 14.830 ( -4.380 -13.477 -3.352) 14.562 15.122 ( -6.344 9.457 0.058) 11.387 16.048 ( 23.451 9.831 -1.015) 25.448 17.248 ( 2.640 0.981 -7.882) 8.370 17.949 ( -0.219 -0.139 -1.904) 1.921 18.279 ( 3.767 12.556 0.661) 13.126 18.583 ( 1.646 3.632 4.869) 6.293 20.047 ( -1.235 0.232 -1.180) 1.724 20.730 ( 2.470 -7.645 -3.527) 8.775 20.908 ( 2.809 1.011 0.555) 3.036 21.121 ( -1.128 -3.114 -1.497) 3.635 22.018 ( -10.574 -2.267 -2.258) 11.048 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 8.097 18.637 14.281) 24.836 3.441 ( 13.958 27.445 5.255) 31.236 4.883 ( -17.731 -13.503 -1.215) 22.320 6.161 ( 37.381 14.062 1.320) 39.960 7.630 ( -6.706 -0.694 0.320) 6.749 8.018 ( 0.092 -0.465 -5.021) 5.044 8.207 ( -8.920 -15.768 2.723) 18.319 8.510 ( -1.770 0.551 -3.529) 3.987 8.728 ( -12.148 2.797 0.140) 12.466 9.214 ( 5.862 -12.089 3.986) 14.014 10.063 ( -0.468 -6.008 12.335) 13.728 10.658 ( -9.661 -4.873 -4.689) 11.793 10.985 ( 1.441 6.036 -2.665) 6.754 11.310 ( -3.642 9.939 -9.551) 14.257 11.588 ( 11.240 -12.120 0.483) 16.536 12.157 ( -16.578 -0.450 -3.001) 16.853 12.596 ( 5.154 7.035 6.993) 11.179 13.856 ( 7.453 2.138 -1.255) 7.855 14.597 ( -4.538 -12.244 -2.936) 13.384 15.113 ( -5.467 9.115 -0.576) 10.644 16.535 ( 20.719 9.123 0.193) 22.640 17.276 ( 5.720 -1.012 -5.524) 8.016 17.882 ( -2.612 -4.212 -3.530) 6.085 18.436 ( -3.033 13.783 3.961) 14.658 18.644 ( -2.423 -1.007 12.154) 12.434 20.004 ( -1.657 0.049 -2.316) 2.848 20.733 ( 7.578 -5.278 -5.749) 10.878 20.992 ( 5.016 1.274 1.688) 5.443 21.064 ( -1.127 -1.969 -2.047) 3.056 21.789 ( -11.387 -2.060 -2.419) 11.822 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( -7.351 12.872 3.120) 15.148 3.918 ( -0.033 16.753 7.332) 18.287 4.495 ( -6.820 -4.012 2.167) 8.204 6.861 ( 28.623 4.219 2.886) 29.076 7.420 ( -7.482 -16.335 0.644) 17.978 7.846 ( -9.864 1.234 -1.438) 10.044 8.067 ( 4.286 -8.900 -0.956) 9.924 8.411 ( -2.092 -5.305 2.810) 6.357 8.755 ( -1.024 9.791 -2.048) 10.055 9.269 ( 9.184 0.099 -4.917) 10.418 10.069 ( -1.666 -8.070 6.511) 10.502 10.332 ( -19.811 2.637 -2.948) 20.202 11.021 ( 0.849 3.854 -8.444) 9.321 11.299 ( -2.176 6.148 -8.162) 10.447 11.675 ( 9.844 -11.878 3.575) 15.836 11.934 ( -5.192 0.689 0.551) 5.266 12.778 ( 1.832 6.676 8.957) 11.321 13.959 ( 3.849 0.866 -2.737) 4.802 14.423 ( 0.291 -11.269 -2.031) 11.454 15.112 ( -5.158 10.564 -1.388) 11.837 16.872 ( 7.211 5.906 -1.243) 9.403 17.384 ( 12.474 -4.071 -0.261) 13.124 17.768 ( -1.605 -2.985 -5.455) 6.422 18.484 ( -9.038 11.485 5.207) 15.514 18.604 ( -7.392 -5.379 13.419) 16.237 20.003 ( 1.770 3.350 -2.136) 4.350 20.779 ( 7.035 -5.098 -6.684) 10.962 21.002 ( -1.295 -1.551 -1.793) 2.701 21.150 ( 8.610 2.063 1.125) 8.925 21.581 ( -9.134 -0.691 -0.323) 9.165 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( -25.986 -6.974 2.840) 27.055 3.764 ( -21.436 10.936 -0.162) 24.065 4.754 ( 15.170 12.217 5.641) 20.279 6.797 ( -18.118 -20.193 0.590) 27.136 7.529 ( 18.884 -4.643 2.324) 19.585 7.847 ( 10.417 3.141 1.495) 10.983 8.063 ( 5.113 -6.905 0.078) 8.592 8.430 ( 2.227 2.548 5.273) 6.266 8.739 ( -3.826 -1.160 0.764) 4.070 9.451 ( 4.696 11.565 -13.094) 18.090 9.652 ( -27.050 -4.928 -2.363) 27.597 10.299 ( 7.222 3.492 -3.412) 8.718 11.030 ( 2.078 3.258 -6.478) 7.543 11.263 ( -0.648 3.372 -5.676) 6.634 11.701 ( 4.105 -11.686 4.789) 13.280 11.987 ( 4.561 2.501 2.821) 5.917 12.882 ( -3.270 5.352 9.968) 11.777 13.958 ( -1.665 -1.801 -3.644) 4.392 14.379 ( 7.668 -9.256 -0.622) 12.036 15.136 ( -3.815 12.352 -2.333) 13.136 16.838 ( -10.320 -3.027 -2.297) 10.997 17.586 ( 12.817 -6.881 4.086) 15.110 17.779 ( 7.679 3.966 -6.808) 11.002 18.423 ( -12.984 9.817 2.992) 16.550 18.458 ( -9.056 -7.852 11.998) 16.959 20.103 ( 4.505 5.481 0.708) 7.130 20.777 ( 3.475 -5.395 -7.294) 9.715 20.969 ( -1.023 1.076 -1.074) 1.832 21.264 ( 3.888 -4.442 -4.685) 7.537 21.538 ( 1.999 5.607 6.312) 8.676 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -34.261 -12.475 5.642) 36.896 3.457 ( -27.542 9.096 -1.152) 29.028 5.119 ( 11.919 7.036 2.262) 14.025 6.193 ( -26.908 -23.048 -0.389) 35.431 7.695 ( 3.611 2.585 2.474) 5.084 8.085 ( 14.150 -7.060 2.606) 16.027 8.251 ( 16.126 -0.682 6.835) 17.528 8.489 ( 0.114 -2.652 -2.982) 3.992 8.729 ( -2.858 7.227 9.833) 12.533 9.020 ( -19.507 1.299 -15.414) 24.896 9.703 ( 9.604 5.571 -4.978) 12.167 10.455 ( 7.278 8.146 -10.688) 15.282 11.092 ( 5.322 -0.639 0.133) 5.362 11.324 ( 4.493 7.838 -2.828) 9.467 11.652 ( -0.390 -9.724 5.203) 11.035 12.076 ( 2.845 -1.406 -0.021) 3.173 12.897 ( -6.946 4.182 10.105) 12.955 13.826 ( -6.659 -4.455 -4.552) 9.214 14.478 ( 11.817 -6.949 1.157) 13.757 15.202 ( -1.491 13.287 -3.032) 13.710 16.507 ( -18.114 -7.913 -2.657) 19.945 17.671 ( 3.314 -9.494 4.237) 10.912 17.975 ( 9.902 5.325 -6.503) 12.988 18.283 ( -11.533 8.050 -0.051) 14.065 18.353 ( -2.746 -4.877 11.592) 12.873 20.242 ( 3.621 4.266 2.983) 6.341 20.723 ( 1.087 -3.618 -6.678) 7.672 20.975 ( 0.259 2.662 -1.553) 3.093 21.208 ( 1.510 -6.159 -5.375) 8.313 21.745 ( 7.548 6.409 6.775) 11.998 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -34.613 -10.273 11.258) 37.820 2.954 ( -35.560 0.961 -1.506) 35.605 5.155 ( -28.781 -13.677 1.858) 31.920 5.545 ( -7.299 -5.092 -2.938) 9.372 7.764 ( 1.944 1.079 2.137) 3.084 8.309 ( -0.665 -6.477 1.435) 6.667 8.401 ( 14.875 5.232 5.045) 16.556 8.540 ( 10.238 -4.886 3.899) 11.995 8.586 ( -11.909 8.414 -6.673) 16.036 9.125 ( 17.574 5.200 1.239) 18.369 9.896 ( 11.068 2.121 -1.219) 11.335 10.556 ( 1.563 11.561 -14.317) 18.468 11.155 ( 4.281 -10.048 4.799) 11.930 11.510 ( 6.779 4.652 0.133) 8.223 11.606 ( -1.430 4.515 5.324) 7.125 12.049 ( 0.792 -5.731 -5.290) 7.839 12.855 ( -8.521 2.903 9.474) 13.069 13.610 ( -9.148 -5.148 -4.517) 11.428 14.628 ( 10.334 -3.935 1.769) 11.199 15.310 ( 1.259 11.923 -3.178) 12.403 16.070 ( -20.007 -9.303 -2.364) 22.191 17.582 ( -2.924 -9.453 1.448) 10.000 17.983 ( -10.027 2.441 1.095) 10.378 18.253 ( 0.568 4.346 -5.095) 6.721 18.469 ( 10.808 0.878 6.828) 12.814 20.307 ( -0.764 0.076 0.997) 1.259 20.696 ( 2.152 -0.437 -3.435) 4.077 21.006 ( 1.737 3.104 -4.474) 5.715 21.157 ( 2.967 -5.525 -3.896) 7.383 21.964 ( 6.096 5.555 6.373) 10.423 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -29.077 -7.026 21.813) 37.022 2.252 ( -41.072 -5.338 -2.253) 41.479 4.101 ( -63.701 -14.270 1.729) 65.303 5.627 ( 8.327 1.247 -2.800) 8.874 7.857 ( 5.003 2.393 5.921) 8.112 8.219 ( 1.410 -6.619 -5.115) 8.483 8.435 ( -6.667 6.078 -10.459) 13.812 8.692 ( 8.979 -0.906 10.997) 14.226 8.875 ( 20.588 4.685 8.581) 22.791 9.464 ( 13.811 3.475 0.069) 14.242 10.140 ( 14.398 1.054 6.347) 15.770 10.586 ( -2.227 12.485 -12.876) 18.073 11.064 ( -1.679 -16.411 5.197) 17.296 11.573 ( 1.778 -2.563 -2.159) 3.794 11.715 ( -5.453 6.499 7.754) 11.494 12.038 ( 9.392 2.946 -9.287) 13.533 12.775 ( -8.406 -0.227 8.348) 11.849 13.378 ( -9.302 -3.427 -3.276) 10.441 14.771 ( 6.445 1.849 1.697) 6.917 15.428 ( 2.317 8.406 -3.480) 9.388 15.626 ( -18.235 -10.319 -1.429) 21.001 17.454 ( -2.472 -5.212 -1.454) 5.949 17.814 ( -11.258 0.286 3.541) 11.806 18.265 ( 0.181 1.468 -4.094) 4.353 18.688 ( 9.415 1.604 -5.642) 11.092 20.231 ( -4.594 -2.489 -5.358) 7.484 20.742 ( 2.882 0.523 2.223) 3.677 21.024 ( 3.657 -0.624 -9.268) 9.983 21.171 ( 3.552 -0.776 -0.094) 3.637 22.136 ( 3.779 4.174 6.464) 8.572 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -2.424 8.378 38.039) 39.026 1.834 ( -12.360 37.803 8.504) 40.671 2.789 ( -40.614 59.516 4.399) 72.187 5.738 ( 3.295 -6.397 0.172) 7.198 7.883 ( 1.520 -1.465 -9.888) 10.111 8.041 ( -0.187 -3.866 0.705) 3.934 8.511 ( 9.571 -10.575 -3.083) 14.592 9.190 ( 6.429 -10.640 5.196) 13.474 9.445 ( 7.444 -12.037 17.323) 22.370 9.847 ( -3.107 -2.230 2.777) 4.726 10.201 ( 8.059 -21.057 9.573) 24.495 10.677 ( -6.439 -2.830 -1.450) 7.181 11.136 ( 4.232 15.449 -10.491) 19.148 11.346 ( 1.792 9.160 11.824) 15.064 11.701 ( 3.162 -3.299 0.053) 4.570 12.126 ( -0.347 -8.399 -10.057) 13.107 12.609 ( 4.652 2.628 3.923) 6.628 13.291 ( -9.039 -0.103 1.826) 9.222 14.771 ( 2.604 -5.725 -2.990) 6.964 15.254 ( -13.578 8.741 1.208) 16.193 15.587 ( 5.368 5.578 -0.643) 7.769 17.224 ( -8.290 15.022 -23.961) 29.470 17.659 ( -4.148 4.772 3.247) 7.108 17.936 ( -8.690 17.213 -15.130) 24.510 18.330 ( -4.288 8.425 -4.782) 10.594 19.978 ( -1.634 4.541 -2.027) 5.234 20.827 ( -0.948 0.955 0.690) 1.512 21.211 ( 4.062 -0.275 -1.222) 4.250 21.219 ( -2.248 -2.924 -2.244) 4.317 22.175 ( 7.065 -12.799 4.917) 15.425 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -11.206 33.478 10.041) 36.704 2.124 ( 0.105 12.590 32.690) 35.030 3.242 ( 5.784 71.660 3.176) 71.963 5.688 ( -0.567 -8.518 0.502) 8.552 7.882 ( 3.659 0.448 -7.832) 8.656 8.008 ( 1.442 -2.106 -3.861) 4.629 8.421 ( -4.530 -9.811 -0.485) 10.817 9.260 ( 6.948 -9.423 8.819) 14.658 9.397 ( -1.925 -17.721 13.104) 22.124 9.668 ( -11.257 -8.753 2.095) 14.412 10.207 ( 8.004 -15.256 1.445) 17.289 10.555 ( -0.633 -10.592 4.117) 11.382 11.302 ( -0.410 15.367 -6.352) 16.633 11.435 ( -5.178 2.967 5.696) 8.250 11.777 ( 6.043 -0.172 3.363) 6.918 11.919 ( -4.367 -11.635 -10.578) 16.320 12.817 ( 9.498 6.709 6.831) 13.486 13.189 ( -2.637 3.273 -2.262) 4.773 14.807 ( 5.523 -2.282 -2.180) 6.361 15.166 ( -1.277 2.200 -1.333) 2.872 15.621 ( -7.963 8.245 -0.630) 11.480 17.199 ( -0.016 19.948 -21.817) 29.562 17.723 ( 3.392 7.683 0.720) 8.429 17.946 ( -2.606 12.338 -5.905) 13.925 18.364 ( -0.018 11.150 -3.972) 11.836 20.007 ( 0.200 5.366 -1.881) 5.690 20.828 ( -0.347 1.221 -0.022) 1.270 21.064 ( -6.969 -9.001 -0.535) 11.396 21.216 ( -0.204 -2.414 -0.504) 2.474 22.216 ( 6.852 -9.952 1.994) 12.246 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 6.254 37.721 4.030) 38.448 2.505 ( 6.983 14.809 30.661) 34.758 4.161 ( 19.960 58.417 0.885) 61.739 5.561 ( -3.897 -9.948 0.846) 10.718 7.886 ( -0.098 2.785 -5.664) 6.312 7.988 ( 1.200 -6.117 -3.472) 7.135 8.275 ( -4.269 1.955 -1.676) 4.986 9.191 ( -4.502 -17.074 14.430) 22.803 9.327 ( -11.281 -15.979 14.328) 24.246 9.390 ( 1.753 -8.920 -3.065) 9.593 10.119 ( -0.823 -7.887 -10.687) 13.308 10.530 ( 10.945 -22.498 10.591) 27.168 11.256 ( -17.720 7.110 4.416) 19.597 11.367 ( -4.225 10.899 -10.789) 15.908 11.711 ( -1.041 -10.571 -5.762) 12.085 11.941 ( 11.090 -1.942 6.099) 12.804 13.008 ( -6.553 12.522 1.339) 14.196 13.272 ( 11.671 2.012 -0.595) 11.858 14.826 ( 0.699 -6.313 1.554) 6.539 15.237 ( 11.489 -4.570 -6.440) 13.941 15.576 ( -8.111 18.116 -0.908) 19.869 17.257 ( -1.708 11.419 -11.184) 16.074 17.949 ( 10.594 11.855 -7.576) 17.612 17.978 ( -0.845 5.869 2.250) 6.342 18.494 ( 2.469 12.193 -0.759) 12.464 20.054 ( 0.366 4.430 -1.659) 4.744 20.813 ( -4.463 -5.918 -2.556) 7.841 20.861 ( -1.752 -4.448 2.562) 5.424 21.170 ( -1.379 -3.176 -0.334) 3.478 22.200 ( 1.217 -8.225 -1.495) 8.448 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 13.882 29.422 13.089) 35.067 3.016 ( 12.703 26.488 13.804) 32.458 5.010 ( 20.355 36.136 -2.930) 41.578 5.377 ( -5.563 -8.130 3.428) 10.431 7.875 ( -5.184 2.097 -1.848) 5.890 7.905 ( 1.321 -0.620 -3.305) 3.613 8.272 ( 0.722 2.696 -4.973) 5.703 8.934 ( -13.823 -18.136 10.481) 25.097 9.090 ( -2.232 -14.769 11.402) 18.791 9.232 ( -10.586 -10.658 -4.789) 15.767 10.031 ( 4.788 -8.938 4.281) 11.006 10.514 ( 8.315 -19.158 -4.083) 21.280 11.129 ( -5.555 6.134 5.311) 9.833 11.341 ( -4.649 11.288 -8.198) 14.705 11.554 ( -3.836 -7.309 -4.707) 9.503 12.179 ( 13.405 -2.427 7.331) 15.470 12.887 ( -17.498 10.509 -4.401) 20.880 13.523 ( 12.130 2.438 1.296) 12.440 14.713 ( -2.649 -12.342 -1.407) 12.701 15.304 ( 0.493 1.721 -1.015) 2.058 15.792 ( 13.219 16.705 -2.798) 21.486 17.246 ( -2.974 6.802 -7.303) 10.414 17.949 ( -1.671 -1.916 -0.460) 2.584 18.292 ( 10.757 16.405 -2.101) 19.729 18.660 ( 1.360 10.677 5.751) 12.203 20.070 ( -1.299 1.339 -1.253) 2.247 20.623 ( -2.592 -10.139 -2.215) 10.697 20.881 ( 1.813 0.885 0.606) 2.107 21.110 ( -1.496 -3.025 -0.578) 3.424 22.080 ( -4.052 -7.327 -3.693) 9.151 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 12.234 20.970 18.269) 30.384 3.593 ( 11.510 36.286 1.545) 38.099 5.016 ( -12.812 -11.226 -1.373) 17.090 5.770 ( 24.289 18.394 2.720) 30.589 7.779 ( -8.217 1.961 1.562) 8.591 7.921 ( 2.282 -2.665 -5.317) 6.370 8.226 ( -3.706 -5.569 -1.025) 6.767 8.582 ( -12.718 -12.222 1.904) 17.741 8.890 ( -9.109 -4.735 -4.256) 11.113 9.023 ( 4.097 -14.022 5.637) 15.659 10.064 ( 0.290 -8.443 10.464) 13.448 10.481 ( 11.107 -8.385 -9.960) 17.114 11.180 ( -3.348 6.783 6.350) 9.876 11.368 ( 1.119 7.458 -2.375) 7.907 11.389 ( -3.472 -3.574 -7.560) 9.054 12.351 ( -0.812 -5.906 5.310) 7.983 12.665 ( -9.128 9.830 -2.865) 13.718 13.730 ( 8.891 2.082 -0.701) 9.158 14.502 ( -3.894 -14.366 -2.994) 15.182 15.313 ( -4.382 7.958 0.290) 9.089 16.240 ( 21.768 11.495 -1.367) 24.654 17.225 ( -1.239 4.452 -5.482) 7.170 17.868 ( -2.974 -5.664 -0.577) 6.423 18.578 ( 4.517 12.157 2.762) 13.259 18.805 ( -2.928 10.765 9.891) 14.909 20.023 ( -2.407 -1.129 -1.799) 3.210 20.527 ( 4.187 -7.747 -4.467) 9.874 20.940 ( 3.318 1.131 0.935) 3.628 21.057 ( -1.036 -1.773 -0.948) 2.262 21.887 ( -7.046 -6.387 -4.347) 10.457 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.805 ( -2.208 18.611 8.291) 20.494 4.139 ( 8.425 33.201 5.315) 34.663 4.637 ( -16.047 -9.893 0.402) 18.855 6.369 ( 29.917 5.673 2.452) 30.549 7.503 ( -18.079 -17.222 1.597) 25.020 7.885 ( 4.452 -8.408 -1.406) 9.617 8.039 ( -11.468 0.485 -0.884) 11.512 8.372 ( -0.858 -6.076 0.742) 6.181 8.803 ( 0.249 -1.600 -2.203) 2.734 9.064 ( 10.549 -2.743 -2.718) 11.233 10.007 ( 0.480 -5.596 -1.319) 5.770 10.546 ( 0.914 -0.998 0.440) 1.423 11.142 ( -12.214 9.390 -0.860) 15.430 11.299 ( 1.644 -4.950 -3.799) 6.452 11.506 ( 5.428 6.859 -0.248) 8.751 12.085 ( -14.147 -4.996 0.051) 15.004 12.801 ( 7.014 5.362 5.928) 10.634 13.863 ( 5.934 1.000 -2.742) 6.613 14.288 ( -1.745 -13.868 -2.821) 14.259 15.318 ( -5.584 10.489 -0.244) 11.885 16.699 ( 19.215 8.326 -1.295) 20.981 17.235 ( 1.717 1.094 -1.653) 2.622 17.737 ( -3.243 -6.449 -2.656) 7.692 18.696 ( -3.385 -0.329 12.464) 12.920 18.863 ( -9.851 13.843 4.508) 17.578 19.991 ( 1.025 1.527 -2.218) 2.881 20.540 ( 8.217 -6.686 -5.894) 12.123 20.996 ( 0.450 -0.683 0.135) 0.829 21.064 ( 4.162 1.480 -0.202) 4.423 21.684 ( -6.794 -4.553 -2.906) 8.679 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( -24.774 1.363 5.575) 25.430 4.300 ( -20.170 18.417 0.595) 27.320 4.656 ( 13.380 13.437 3.902) 19.360 6.840 ( -0.271 -14.198 1.971) 14.336 7.055 ( 13.355 -12.803 1.052) 18.531 7.879 ( 2.878 -3.235 -0.018) 4.330 7.907 ( -3.165 0.084 -1.076) 3.343 8.395 ( 4.393 -1.827 5.314) 7.132 8.754 ( -0.752 -5.009 0.276) 5.072 9.256 ( 14.512 0.249 -9.541) 17.369 9.975 ( -4.632 2.869 -4.454) 7.037 10.411 ( -17.052 8.110 -3.273) 19.164 11.000 ( -5.239 -2.062 -1.334) 5.786 11.259 ( 1.243 -1.214 -3.816) 4.193 11.632 ( 1.384 3.683 2.934) 4.907 11.966 ( 1.778 -0.106 2.317) 2.923 12.981 ( 3.270 2.987 8.039) 9.178 13.911 ( 1.588 -1.869 -4.001) 4.692 14.166 ( 4.501 -10.186 -1.951) 11.306 15.327 ( -5.321 11.018 -0.998) 12.276 16.944 ( -1.211 4.403 -3.430) 5.711 17.310 ( 10.858 -5.791 3.875) 12.901 17.663 ( 3.738 -0.504 -5.260) 6.473 18.608 ( -9.390 -8.119 13.402) 18.268 18.802 ( -14.345 12.480 2.006) 19.120 20.071 ( 5.005 4.362 -0.193) 6.642 20.579 ( 7.244 -5.601 -7.156) 11.621 20.988 ( -0.542 0.868 -0.564) 1.168 21.147 ( 3.632 -1.643 -2.406) 4.656 21.581 ( -0.215 0.094 2.080) 2.094 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -34.104 -5.858 8.593) 35.655 4.087 ( -28.003 17.494 -0.830) 33.029 4.989 ( 11.461 6.743 0.296) 13.301 6.335 ( -18.414 -22.958 -0.525) 29.435 7.507 ( 26.190 -0.170 2.431) 26.303 7.856 ( 0.306 -2.132 -1.475) 2.610 8.029 ( 13.246 1.261 5.623) 14.445 8.447 ( 0.509 -6.039 1.494) 6.242 8.763 ( 4.128 4.092 2.461) 6.312 9.416 ( 15.224 -8.050 -9.008) 19.435 9.580 ( -38.292 5.954 -3.813) 38.939 10.410 ( 5.918 15.605 -10.573) 19.757 10.948 ( 3.415 -8.347 4.484) 10.072 11.298 ( 4.116 2.427 -1.198) 4.927 11.682 ( -1.579 4.765 2.557) 5.634 12.039 ( 2.485 0.625 0.748) 2.669 13.053 ( -1.908 -0.271 8.049) 8.277 13.825 ( -3.271 -5.628 -4.843) 8.113 14.235 ( 10.874 -3.355 0.076) 11.380 15.344 ( -3.588 9.181 -1.436) 9.961 16.740 ( -16.904 -2.667 -3.279) 17.424 17.477 ( 10.436 -7.043 1.950) 12.740 17.799 ( 11.174 4.949 -4.875) 13.158 18.435 ( -7.519 -7.076 9.147) 13.794 18.646 ( -16.718 6.972 4.224) 18.600 20.212 ( 5.582 2.707 1.285) 6.335 20.592 ( 4.556 -2.488 -7.753) 9.330 20.992 ( -0.301 2.350 -1.610) 2.865 21.110 ( -0.124 -4.776 -3.880) 6.155 21.705 ( 7.658 3.448 5.594) 10.091 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -36.156 -4.832 13.309) 38.830 3.630 ( -37.443 6.223 -1.601) 37.990 5.202 ( 8.984 1.071 -1.066) 9.110 5.780 ( -25.143 -12.770 -2.761) 28.334 7.763 ( 0.335 1.661 0.020) 1.694 8.051 ( 25.734 -2.429 6.016) 26.539 8.315 ( 2.044 -5.070 -3.154) 6.312 8.367 ( 7.724 2.127 7.204) 10.774 8.894 ( -10.179 4.043 -12.273) 16.449 9.072 ( -10.237 9.348 12.413) 18.608 9.552 ( 17.584 -10.894 -5.988) 21.535 10.617 ( 3.999 17.442 -10.535) 20.766 10.963 ( 4.879 -11.482 6.545) 14.089 11.407 ( 5.883 -1.747 2.653) 6.686 11.745 ( 0.655 12.880 -2.775) 13.192 12.032 ( -3.700 -0.583 -0.031) 3.745 13.012 ( -4.336 -5.338 6.500) 9.463 13.661 ( -6.440 -4.061 -3.857) 8.535 14.438 ( 12.241 1.581 1.663) 12.454 15.365 ( -0.929 4.067 -1.416) 4.405 16.354 ( -21.234 -2.165 -4.027) 21.720 17.511 ( 1.772 -7.080 -0.943) 7.359 18.007 ( 7.984 5.180 -6.714) 11.646 18.379 ( 2.379 -5.210 10.298) 11.783 18.435 ( -15.047 3.244 3.893) 15.877 20.285 ( 2.159 -2.448 -1.835) 3.745 20.622 ( 3.693 2.520 -4.888) 6.624 20.982 ( -0.644 0.473 -5.778) 5.833 21.070 ( 1.699 -1.478 -0.066) 2.253 21.916 ( 8.598 2.538 5.503) 10.519 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -33.519 -2.833 20.056) 39.163 2.944 ( -41.882 -1.113 -2.344) 41.963 5.005 ( -44.082 1.219 1.931) 44.142 5.449 ( 8.290 -1.735 -5.347) 10.016 7.799 ( 4.412 -1.027 2.320) 5.089 8.173 ( -3.916 -2.060 -6.524) 7.883 8.506 ( 15.715 -3.801 2.819) 16.412 8.585 ( -3.884 1.981 -0.648) 4.408 8.636 ( 8.386 4.605 7.725) 12.297 9.322 ( 10.839 6.401 3.875) 13.171 9.780 ( 21.635 -8.237 3.710) 23.445 10.746 ( -2.356 16.777 -7.745) 18.628 10.937 ( 1.773 -12.444 5.111) 13.569 11.461 ( 3.884 -5.625 0.163) 6.838 11.878 ( -0.397 -2.039 -9.017) 9.253 11.979 ( -1.181 17.270 3.693) 17.700 12.877 ( -4.802 -12.126 4.499) 13.796 13.499 ( -8.478 1.367 -0.825) 8.627 14.692 ( 10.670 7.104 2.196) 13.005 15.354 ( 0.829 -6.442 -1.210) 6.607 15.955 ( -21.774 3.820 -4.538) 22.567 17.434 ( -1.696 -3.380 -3.467) 5.130 18.016 ( -7.505 0.218 -0.440) 7.521 18.281 ( -4.544 1.484 -1.106) 4.907 18.517 ( 9.019 -2.158 3.820) 10.029 20.227 ( -1.855 -3.572 -6.251) 7.435 20.700 ( 3.623 2.912 -0.469) 4.672 20.938 ( 0.230 -0.314 -6.020) 6.033 21.120 ( 3.195 1.774 -0.143) 3.658 22.094 ( 6.951 -0.355 4.465) 8.269 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -7.460 10.931 32.196) 34.809 2.483 ( -14.776 34.992 5.208) 38.339 4.116 ( -47.363 45.746 1.719) 65.870 5.595 ( 6.538 -6.054 0.125) 8.911 7.804 ( -0.973 -2.597 -10.202) 10.572 8.008 ( 3.379 -3.725 5.849) 7.714 8.257 ( 5.116 -4.224 -7.325) 9.883 8.955 ( 12.353 -11.240 6.889) 18.066 9.268 ( 10.142 -10.573 10.896) 18.258 9.790 ( 7.761 -4.156 7.477) 11.550 10.013 ( -0.361 -13.856 7.014) 15.534 10.740 ( -8.763 -7.911 -5.975) 13.232 11.090 ( 7.988 12.095 -11.475) 18.487 11.399 ( 9.279 1.150 10.189) 13.829 11.658 ( -4.186 -2.934 4.207) 6.620 12.062 ( -5.257 -1.592 -8.867) 10.430 12.554 ( 6.750 2.615 0.366) 7.248 13.503 ( -11.116 3.316 0.917) 11.636 14.644 ( 0.755 -10.671 -2.772) 11.051 15.457 ( 2.960 -0.948 -1.262) 3.354 15.700 ( -11.526 19.261 2.262) 22.560 17.292 ( -2.780 5.707 -13.419) 14.845 17.835 ( -6.582 6.196 2.352) 9.340 18.087 ( -3.873 5.071 -5.732) 8.578 18.477 ( -5.185 8.764 -4.792) 11.254 20.033 ( -1.426 3.227 -2.639) 4.406 20.851 ( -0.635 -0.216 1.567) 1.705 21.111 ( 6.776 2.049 -1.853) 7.317 21.209 ( -0.827 -0.515 -4.270) 4.379 21.950 ( 5.334 -15.419 3.030) 16.595 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -1.300 12.791 32.173) 34.646 2.587 ( -16.121 29.404 4.885) 33.887 4.092 ( -18.993 65.079 0.874) 67.799 5.599 ( 1.780 -8.093 1.265) 8.382 7.747 ( 3.781 -1.330 -7.539) 8.538 8.032 ( -2.806 0.841 2.518) 3.862 8.275 ( 7.782 -6.982 -6.054) 12.081 9.073 ( 9.217 -9.498 6.537) 14.761 9.307 ( 2.715 -16.126 9.179) 18.753 9.718 ( -5.703 -11.300 -0.775) 12.681 9.974 ( 2.611 -15.712 15.396) 22.152 10.508 ( -3.215 -11.072 -4.994) 12.564 11.322 ( 9.046 11.525 -8.992) 17.191 11.447 ( -4.359 -13.483 6.991) 15.801 11.637 ( 5.988 -1.502 -1.539) 6.362 11.968 ( -4.299 7.641 -7.003) 11.221 12.749 ( 8.566 6.126 5.792) 12.019 13.344 ( -9.558 4.755 -1.136) 10.735 14.627 ( 7.939 -4.647 -4.284) 10.148 15.302 ( -11.423 -4.330 0.884) 12.248 15.822 ( -2.983 16.143 1.442) 16.480 17.261 ( 0.165 14.405 -18.468) 23.422 17.814 ( -3.981 6.025 3.139) 7.874 18.072 ( -3.234 6.457 -1.111) 7.307 18.491 ( -2.652 13.421 -3.801) 14.199 20.046 ( -0.039 4.825 -2.485) 5.428 20.846 ( -0.477 0.074 0.873) 0.998 21.084 ( -5.851 -7.559 -2.960) 10.007 21.181 ( 1.484 -0.682 -2.232) 2.766 21.963 ( 9.815 -12.868 2.838) 16.431 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -7.228 29.328 4.147) 30.489 2.732 ( 3.711 14.119 27.207) 30.876 4.628 ( 0.375 65.031 -0.878) 65.038 5.517 ( -1.833 -9.814 2.135) 10.209 7.808 ( 6.643 0.822 -4.487) 8.058 7.977 ( -4.161 0.919 -1.435) 4.496 8.294 ( 2.220 -1.007 -3.787) 4.504 9.148 ( 1.208 -16.599 8.413) 18.649 9.203 ( 3.913 -9.910 7.279) 12.904 9.440 ( -10.726 -16.464 4.745) 20.215 9.942 ( 3.615 -12.088 1.242) 12.678 10.305 ( -2.393 -17.844 0.779) 18.020 11.313 ( 6.255 -17.580 -0.532) 18.668 11.404 ( -1.001 -0.397 -10.851) 10.904 11.669 ( -2.590 6.125 0.270) 6.655 11.963 ( -3.836 8.077 2.049) 9.173 13.031 ( 12.008 5.833 7.365) 15.247 13.285 ( -5.079 10.002 -5.176) 12.354 14.742 ( 9.567 -1.694 -2.126) 9.945 15.063 ( -6.613 -8.549 -2.311) 11.052 15.891 ( -7.580 16.669 1.107) 18.345 17.350 ( 0.426 16.188 -13.744) 21.240 17.891 ( 4.623 8.870 -0.795) 10.034 18.064 ( -3.005 2.616 2.185) 4.544 18.609 ( 0.376 15.937 -0.018) 15.941 20.088 ( 0.195 5.202 -2.304) 5.692 20.841 ( -7.456 -7.429 -2.840) 10.902 20.852 ( -0.606 -3.898 1.816) 4.343 21.156 ( -0.838 -2.688 -1.006) 2.990 22.011 ( 7.671 -11.183 -0.710) 13.580 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( 10.425 24.120 4.466) 26.653 3.171 ( 8.916 22.415 19.439) 30.981 5.205 ( 0.520 30.833 -5.388) 31.304 5.424 ( -1.334 9.841 6.267) 11.743 7.902 ( -1.065 -0.441 -1.376) 1.795 7.912 ( 1.501 5.843 -4.083) 7.285 8.289 ( -1.435 1.982 -2.930) 3.817 8.942 ( -5.830 -20.520 8.771) 23.065 9.079 ( -8.069 -16.255 1.114) 18.182 9.273 ( -3.812 -9.858 9.285) 14.069 9.856 ( 4.277 -5.717 -8.138) 10.826 10.149 ( 6.481 -23.628 5.343) 25.077 11.253 ( -5.002 -3.245 -4.598) 7.529 11.282 ( 9.213 -13.221 -5.872) 17.151 11.680 ( -8.579 11.407 2.651) 14.517 12.033 ( 4.268 2.705 4.589) 6.826 13.226 ( -11.361 10.691 -7.014) 17.105 13.333 ( 12.960 3.565 3.962) 14.013 14.708 ( -8.375 -7.688 0.770) 11.395 15.061 ( 16.638 -5.460 -4.138) 17.993 15.957 ( -5.168 20.068 0.211) 20.724 17.371 ( -5.410 10.411 -7.822) 14.101 17.971 ( -3.121 -1.477 1.215) 3.661 18.222 ( 13.069 13.777 -1.987) 19.093 18.804 ( 1.428 15.892 5.645) 16.925 20.107 ( -1.798 3.070 -2.524) 4.362 20.583 ( -6.182 -12.468 -0.806) 13.939 20.869 ( 1.017 0.829 0.535) 1.417 21.101 ( -1.365 -3.040 -0.791) 3.425 21.979 ( 2.459 -10.411 -3.612) 11.291 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( 17.952 19.065 9.740) 27.940 3.704 ( 14.179 28.813 6.883) 32.842 5.083 ( -8.065 -11.339 -1.266) 13.972 5.814 ( 2.456 33.623 3.584) 33.902 7.832 ( -1.982 -3.402 -1.148) 4.101 7.983 ( -4.631 8.230 -2.981) 9.903 8.234 ( -2.967 -1.305 -0.766) 3.331 8.644 ( -8.339 -18.662 3.360) 20.715 8.874 ( -0.596 -13.836 3.502) 14.285 8.956 ( -13.873 -13.011 -4.390) 19.519 9.986 ( 5.432 -8.991 8.936) 13.792 10.101 ( 15.764 -7.945 -6.797) 18.916 11.175 ( 1.253 -5.157 1.977) 5.664 11.294 ( 7.385 -5.193 -6.248) 10.979 11.630 ( -11.905 12.792 2.498) 17.652 12.205 ( 10.114 -2.496 5.814) 11.930 13.012 ( -18.679 9.127 -7.819) 22.211 13.579 ( 10.560 2.126 0.687) 10.794 14.458 ( -8.064 -11.593 -1.453) 14.196 15.285 ( 12.560 -1.618 -0.171) 12.665 16.146 ( 4.732 19.588 -0.598) 20.161 17.318 ( -5.577 7.659 -6.110) 11.274 17.874 ( -4.377 -6.123 2.107) 7.816 18.575 ( 10.874 11.878 0.645) 16.117 19.026 ( 0.025 16.426 8.804) 18.637 20.043 ( -3.720 -1.730 -4.019) 5.743 20.402 ( -1.235 -9.371 -0.726) 9.480 20.910 ( 2.167 1.262 0.672) 2.596 21.049 ( -0.839 -2.239 -0.896) 2.553 21.856 ( -1.898 -9.252 -4.915) 10.647 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.966 ( 11.674 16.944 9.277) 22.571 4.276 ( 13.371 26.628 0.865) 29.809 4.800 ( -10.042 -8.572 0.174) 13.204 6.157 ( 6.112 18.724 3.701) 20.042 7.643 ( -15.588 -20.716 0.800) 25.938 7.812 ( -6.498 -2.153 1.207) 6.951 8.205 ( -5.114 3.059 -1.039) 6.048 8.373 ( -6.271 -6.406 -0.651) 8.988 8.700 ( 1.746 -8.538 -5.498) 10.304 8.834 ( 7.103 -8.646 0.123) 11.191 9.914 ( 2.020 -5.796 -6.410) 8.875 10.407 ( 14.467 2.087 5.807) 15.728 11.170 ( 3.583 -7.652 1.658) 8.610 11.359 ( 2.459 1.338 0.277) 2.813 11.596 ( -6.562 14.231 -1.450) 15.738 12.254 ( -7.574 -8.201 4.543) 12.052 12.807 ( -4.336 8.033 -4.269) 10.078 13.748 ( 7.361 1.374 -1.520) 7.641 14.203 ( -5.862 -12.337 -1.927) 13.794 15.433 ( 3.341 3.629 0.586) 4.967 16.482 ( 14.128 13.742 -0.837) 19.727 17.280 ( -3.201 6.026 -3.663) 7.744 17.727 ( -5.037 -8.214 0.826) 9.671 18.790 ( 1.612 2.266 9.377) 9.781 19.180 ( -6.588 15.753 2.586) 17.270 19.967 ( 0.849 -0.750 -2.522) 2.764 20.336 ( 3.648 -6.812 -2.325) 8.069 20.972 ( 2.565 1.067 0.826) 2.899 21.025 ( 0.877 -0.599 -0.943) 1.420 21.692 ( -3.684 -7.268 -4.332) 9.228 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( -17.902 6.529 6.394) 20.100 4.441 ( 7.856 -3.783 -0.776) 8.754 4.868 ( -1.399 28.615 1.333) 28.680 6.504 ( 18.478 6.798 2.039) 19.794 7.043 ( -21.922 -26.767 2.062) 34.660 7.745 ( 2.082 -5.364 0.168) 5.756 8.068 ( -9.212 3.267 -3.412) 10.353 8.340 ( 2.469 -3.049 5.713) 6.931 8.669 ( 4.188 -6.533 -0.448) 7.773 8.926 ( 11.694 -4.655 -7.954) 14.889 9.948 ( 6.660 6.274 -6.876) 11.446 10.626 ( 2.490 5.020 3.887) 6.820 11.147 ( -2.434 -8.818 2.218) 9.413 11.285 ( -13.286 5.487 -1.136) 14.419 11.698 ( 2.772 12.323 -3.923) 13.226 11.972 ( -8.604 -8.587 4.679) 13.025 12.927 ( 7.807 1.875 2.248) 8.338 13.843 ( 3.367 0.440 -2.479) 4.204 14.015 ( -0.533 -9.659 -1.854) 9.850 15.490 ( -2.326 6.141 0.048) 6.567 16.849 ( 14.773 8.879 -2.207) 17.376 17.261 ( -4.166 0.358 2.033) 4.649 17.585 ( -0.704 -4.674 -2.693) 5.440 18.769 ( -8.521 -6.774 12.547) 16.611 19.145 ( -10.972 10.864 -3.443) 15.820 20.030 ( 3.602 2.376 3.060) 5.290 20.363 ( 7.746 -2.781 -5.881) 10.115 20.997 ( 0.102 0.734 -0.077) 0.745 21.069 ( 3.258 -0.347 -1.151) 3.473 21.571 ( -0.622 -3.831 -1.172) 4.054 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.761 ( -29.363 -3.462 8.345) 30.721 4.547 ( -2.612 4.931 -1.917) 5.900 4.990 ( -8.269 13.063 -1.113) 15.500 6.438 ( -18.396 -16.408 0.409) 24.654 7.003 ( 29.498 0.875 0.956) 29.526 7.806 ( 6.494 -2.563 3.028) 7.610 7.968 ( -2.319 4.791 -2.142) 5.738 8.367 ( 2.114 -7.484 2.741) 8.246 8.731 ( 6.199 1.475 1.406) 6.525 9.024 ( 11.669 -5.956 -7.359) 15.027 10.110 ( -2.965 10.164 -0.369) 10.594 10.518 ( -20.822 5.979 -9.117) 23.504 10.900 ( -2.150 -5.455 4.307) 7.276 11.266 ( 1.264 2.580 1.997) 3.499 11.780 ( -2.637 5.051 2.046) 6.054 11.964 ( 7.589 -0.711 -0.213) 7.626 13.038 ( 3.606 -5.233 3.042) 7.046 13.812 ( -2.498 -1.977 -2.236) 3.892 14.036 ( 8.976 -1.094 -0.928) 9.090 15.481 ( -4.450 4.198 -0.216) 6.121 16.987 ( -11.867 5.221 -4.605) 13.758 17.233 ( 10.387 -6.363 3.798) 12.759 17.643 ( 8.819 3.139 -2.758) 9.759 18.567 ( -10.758 -7.989 6.993) 15.114 18.997 ( -14.102 4.075 1.079) 14.718 20.129 ( 4.781 -2.055 3.242) 6.131 20.462 ( 6.424 4.818 -7.107) 10.724 21.008 ( -0.082 1.686 -0.964) 1.944 21.063 ( -0.480 -2.681 -2.408) 3.636 21.615 ( 7.032 -0.392 2.797) 7.578 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -33.607 -1.571 12.308) 35.824 4.263 ( -30.905 -1.992 -0.526) 30.974 4.996 ( 8.868 -4.389 -4.892) 11.038 6.064 ( -17.613 1.824 -1.439) 17.766 7.552 ( 31.035 0.038 2.014) 31.100 7.801 ( -2.868 0.428 -1.549) 3.288 8.177 ( 12.534 4.756 4.602) 14.174 8.310 ( 1.529 -5.990 0.536) 6.205 8.888 ( 8.019 2.571 -2.776) 8.867 9.145 ( 10.854 -3.103 -3.896) 11.942 9.675 ( -38.154 1.837 3.633) 38.371 10.527 ( 11.861 3.266 -3.893) 12.904 10.926 ( -0.264 1.485 4.229) 4.490 11.340 ( 2.784 1.529 2.594) 4.101 11.785 ( 0.053 2.786 -4.435) 5.238 12.090 ( 3.259 5.058 1.148) 6.125 12.970 ( -1.224 -13.540 0.447) 13.602 13.741 ( -4.910 2.312 -0.262) 5.434 14.244 ( 13.392 3.140 0.460) 13.763 15.420 ( -4.233 -1.364 0.081) 4.449 16.696 ( -20.002 3.182 -3.563) 20.564 17.369 ( 7.430 -3.676 -1.420) 8.410 17.852 ( 11.051 4.798 -3.194) 12.464 18.389 ( -4.427 -6.400 6.029) 9.844 18.757 ( -16.478 -1.693 4.457) 17.154 20.174 ( 3.923 -5.258 -1.215) 6.672 20.587 ( 3.780 9.091 -4.791) 10.949 20.975 ( -1.992 -0.956 -3.614) 4.236 21.048 ( 0.947 0.868 0.176) 1.297 21.786 ( 10.072 -0.957 3.341) 10.655 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -34.541 1.028 16.996) 38.510 3.583 ( -37.457 -8.322 -0.947) 38.382 5.128 ( 14.258 -5.615 -4.037) 15.847 5.757 ( -28.288 13.726 -2.176) 31.518 7.743 ( 0.804 -3.588 -0.550) 3.718 8.084 ( 25.295 1.192 2.103) 25.410 8.182 ( -1.427 -2.967 -2.571) 4.177 8.563 ( 12.157 5.159 5.583) 14.338 8.867 ( -19.740 5.193 -5.446) 21.125 9.121 ( 10.594 -11.656 -5.831) 16.796 9.516 ( 7.951 5.106 17.001) 19.451 10.744 ( 10.375 3.393 -2.015) 11.100 10.921 ( -3.103 -2.246 6.017) 7.133 11.387 ( 0.206 0.103 -0.102) 0.252 11.789 ( 2.351 2.055 -11.743) 12.151 12.192 ( -1.481 10.190 3.626) 10.917 12.765 ( -1.903 -19.452 -1.433) 19.597 13.684 ( -7.173 6.129 1.940) 9.632 14.544 ( 14.955 6.202 0.677) 16.204 15.303 ( -3.920 -8.706 0.352) 9.554 16.366 ( -21.430 7.915 -3.739) 23.149 17.395 ( 1.233 -0.853 -4.571) 4.810 18.015 ( 4.899 3.804 -7.310) 9.587 18.390 ( 5.156 -5.212 9.853) 12.281 18.473 ( -14.576 -4.883 4.725) 16.082 20.153 ( 1.485 -4.060 -4.812) 6.469 20.698 ( 1.529 7.883 -2.825) 8.513 20.925 ( -1.145 0.046 -1.923) 2.238 21.089 ( 2.318 2.142 -1.135) 3.354 21.949 ( 9.215 -4.037 2.202) 10.298 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -14.873 11.453 26.013) 32.079 3.071 ( -11.309 32.571 1.669) 34.519 5.278 ( -29.964 21.442 5.718) 37.286 5.394 ( -0.304 4.577 -5.029) 6.807 7.693 ( 4.493 -3.449 -6.731) 8.797 7.959 ( -2.367 -3.740 0.561) 4.461 8.185 ( -1.526 -3.607 -1.685) 4.264 8.662 ( 13.404 -7.348 5.724) 16.322 8.991 ( 13.984 -13.995 5.853) 20.632 9.653 ( 8.756 -0.266 3.896) 9.588 9.971 ( -2.368 -8.456 8.027) 11.897 10.740 ( -8.359 -11.066 -8.402) 16.215 11.021 ( 6.820 5.408 -7.543) 11.518 11.220 ( 10.366 2.395 -0.287) 10.643 11.810 ( -7.155 -1.216 13.261) 15.117 12.127 ( -4.156 0.582 -3.746) 5.626 12.435 ( 7.409 3.401 -4.960) 9.542 13.717 ( -9.238 3.475 -0.903) 9.911 14.506 ( -0.835 -13.580 -2.150) 13.775 15.345 ( 9.003 3.998 -1.663) 9.990 16.151 ( -17.230 14.687 2.350) 22.762 17.320 ( -3.434 4.210 -10.006) 11.386 17.970 ( -1.636 1.866 -1.129) 2.727 18.157 ( -1.715 4.231 2.470) 5.191 18.620 ( -3.048 6.873 3.588) 8.331 20.043 ( 0.969 0.629 -3.370) 3.562 20.874 ( -1.528 0.504 1.530) 2.220 21.021 ( 4.900 3.325 -1.964) 6.239 21.186 ( 0.261 1.008 -6.353) 6.438 21.723 ( 4.131 -16.137 1.577) 16.732 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -5.314 14.164 27.082) 31.021 3.198 ( -16.054 31.218 1.846) 35.153 5.068 ( -26.746 46.858 -0.192) 53.954 5.468 ( 6.078 -7.539 1.489) 9.798 7.650 ( 1.467 -2.089 -6.242) 6.743 8.014 ( 9.318 -3.224 -2.163) 10.094 8.115 ( -2.728 -1.059 1.340) 3.219 8.815 ( 11.054 -10.939 5.281) 16.424 9.096 ( 9.935 -15.227 7.240) 19.570 9.637 ( -0.404 -11.719 -4.715) 12.638 9.956 ( -0.386 -8.120 14.705) 16.803 10.409 ( -7.967 -13.684 -7.556) 17.545 11.168 ( 9.568 3.810 -8.226) 13.180 11.435 ( 3.626 -4.057 5.375) 7.649 11.595 ( -8.224 -4.717 0.077) 9.481 12.101 ( -3.894 10.132 -3.021) 11.267 12.668 ( 12.594 7.654 1.736) 14.840 13.560 ( -10.979 2.798 -0.932) 11.368 14.417 ( 5.620 -8.698 -3.331) 10.878 15.398 ( -3.923 -3.669 0.206) 5.376 16.103 ( -8.235 17.768 1.992) 19.685 17.273 ( -0.033 8.442 -13.177) 15.650 17.940 ( -2.678 0.653 0.983) 2.927 18.201 ( -3.666 7.862 3.346) 9.297 18.669 ( -3.537 12.962 1.312) 13.500 20.060 ( 1.501 2.726 -3.122) 4.408 20.858 ( -0.911 -0.844 1.248) 1.761 21.071 ( -2.312 -6.370 -2.197) 7.124 21.132 ( 1.411 1.648 -7.115) 7.438 21.689 ( 8.030 -13.626 3.609) 16.223 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 0.812 15.706 23.445) 28.231 3.141 ( -19.364 23.330 2.524) 30.424 5.275 ( -6.403 41.139 -6.638) 42.160 5.488 ( -0.438 6.426 6.782) 9.353 7.691 ( 6.104 2.445 -2.529) 7.045 8.012 ( 0.423 -3.463 -6.384) 7.275 8.191 ( 5.080 2.724 2.054) 6.119 8.896 ( 9.945 -14.674 3.858) 18.142 9.104 ( 3.281 -13.425 6.693) 15.356 9.442 ( -5.366 -14.655 1.363) 15.666 9.901 ( -3.852 -10.591 13.272) 17.411 10.128 ( -2.271 -15.341 -10.208) 18.566 11.136 ( -9.297 -19.589 3.615) 21.983 11.265 ( 5.532 -4.752 -8.596) 11.273 11.728 ( 5.790 11.134 -2.544) 12.805 12.116 ( -3.637 8.539 -1.733) 9.442 12.980 ( 9.158 8.118 7.937) 14.586 13.434 ( -6.028 6.996 -4.012) 10.069 14.482 ( 12.032 -5.203 -3.639) 13.604 15.177 ( -13.270 -7.533 0.179) 15.260 16.182 ( -5.724 16.773 2.181) 17.857 17.362 ( 5.684 13.861 -13.217) 19.978 17.928 ( 0.130 1.844 1.430) 2.337 18.195 ( -6.965 4.943 3.598) 9.267 18.789 ( -1.140 17.263 2.191) 17.438 20.111 ( 1.723 4.677 -2.705) 5.671 20.814 ( -3.424 -10.630 -0.682) 11.188 20.886 ( -4.260 -1.997 -2.258) 5.218 21.130 ( 0.241 -1.618 -2.732) 3.184 21.744 ( 9.455 -10.990 1.259) 14.552 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -4.025 14.103 2.650) 14.903 3.384 ( 4.694 23.000 17.323) 29.174 5.258 ( -3.102 -9.746 -2.642) 10.563 5.866 ( -2.358 51.392 2.047) 51.487 7.853 ( 7.254 6.925 -1.298) 10.113 7.950 ( -1.777 0.266 -4.907) 5.225 8.283 ( 2.532 1.530 -0.924) 3.099 8.842 ( -0.437 -20.064 2.544) 20.229 9.026 ( -2.878 -12.614 -0.339) 12.943 9.270 ( -0.094 -11.872 15.872) 19.821 9.771 ( -7.765 -4.769 -3.195) 9.656 9.893 ( 2.570 -19.834 -1.243) 20.038 10.916 ( 6.329 -19.828 0.363) 20.816 11.196 ( 0.300 -7.790 -6.194) 9.957 11.882 ( -0.021 11.174 0.454) 11.184 12.121 ( -3.828 5.938 0.073) 7.065 13.198 ( 5.463 3.962 3.859) 7.774 13.447 ( -2.358 11.337 -3.901) 12.219 14.675 ( 17.140 -3.675 -2.398) 17.693 14.848 ( -14.158 -8.987 -0.547) 16.778 16.256 ( -6.169 17.308 1.771) 18.460 17.487 ( -0.296 9.617 -8.515) 12.848 18.046 ( 2.826 6.015 1.317) 6.775 18.132 ( 0.518 3.062 0.693) 3.182 18.989 ( 0.765 18.673 5.043) 19.357 20.155 ( -0.872 4.158 -3.312) 5.387 20.553 ( -6.368 -15.099 -0.958) 16.415 20.872 ( 0.041 1.178 0.530) 1.292 21.084 ( -0.968 -2.936 -1.757) 3.556 21.775 ( 6.202 -10.220 -1.813) 12.091 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( 15.556 11.509 2.719) 19.541 3.821 ( 8.863 24.089 10.365) 27.681 5.046 ( -4.744 -15.267 -2.034) 16.116 6.294 ( -6.365 44.416 2.463) 44.938 7.868 ( -4.556 -0.371 -2.258) 5.098 8.054 ( 5.036 11.093 -3.689) 12.729 8.293 ( -2.616 -0.219 1.340) 2.947 8.555 ( -5.908 -21.894 -0.776) 22.691 8.815 ( -5.175 -12.599 3.770) 14.133 9.073 ( -16.773 -16.022 -1.135) 23.223 9.770 ( 12.389 -2.218 -0.217) 12.588 9.821 ( 7.169 -9.140 5.584) 12.889 10.930 ( 14.987 -16.733 -2.020) 22.554 11.107 ( 1.752 -6.425 -1.562) 6.840 11.953 ( -7.280 10.962 3.315) 13.570 12.127 ( 1.181 2.931 1.207) 3.383 13.263 ( -3.911 4.996 -10.133) 11.955 13.505 ( 0.281 6.838 4.546) 8.217 14.521 ( -11.786 -10.370 -1.080) 15.736 14.959 ( 19.245 -2.328 -0.081) 19.386 16.354 ( -3.563 18.140 0.980) 18.512 17.457 ( -5.422 5.976 -6.198) 10.175 17.947 ( -8.526 -3.240 3.384) 9.728 18.441 ( 16.548 9.202 -0.863) 18.954 19.235 ( 1.343 18.813 7.147) 20.169 20.068 ( -5.796 -4.065 -7.623) 10.404 20.360 ( -2.682 -8.279 3.632) 9.430 20.899 ( 1.118 1.421 0.849) 1.998 21.030 ( -0.663 -2.638 -1.382) 3.051 21.731 ( 1.971 -9.271 -3.709) 10.178 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.807 ( 23.404 8.202 2.594) 24.935 4.290 ( 13.884 22.969 3.594) 27.079 4.785 ( -5.337 -16.137 -1.640) 17.076 6.542 ( -11.854 33.877 3.373) 36.049 7.704 ( -11.607 -9.540 1.752) 15.127 7.996 ( -13.891 -9.775 2.089) 17.114 8.277 ( -2.907 -0.917 -2.138) 3.723 8.335 ( 1.844 -2.304 -4.895) 5.716 8.644 ( -9.112 -8.751 -4.270) 13.336 8.686 ( 0.732 -7.484 2.570) 7.946 9.755 ( 4.230 -6.350 -4.342) 8.779 10.194 ( 18.995 4.650 8.465) 21.309 11.005 ( 9.684 -9.686 -2.347) 13.896 11.155 ( 11.302 -6.643 1.528) 13.199 11.892 ( -11.395 7.679 4.412) 14.432 12.234 ( 4.655 1.228 2.153) 5.274 13.058 ( -16.000 6.018 -10.625) 20.127 13.639 ( 6.008 2.748 2.037) 6.914 14.224 ( -9.900 -10.125 -0.687) 14.178 15.259 ( 16.370 -1.195 0.742) 16.430 16.512 ( 1.709 16.031 0.300) 16.125 17.388 ( -4.655 5.673 -4.984) 8.871 17.773 ( -8.062 -6.249 2.913) 10.608 18.759 ( 10.544 2.859 4.624) 11.863 19.428 ( -4.673 13.235 0.468) 14.043 19.911 ( 1.525 -1.863 -5.083) 5.624 20.281 ( -3.090 -4.704 4.371) 7.127 20.949 ( 2.226 1.651 1.093) 2.979 21.000 ( 0.264 -1.393 -0.977) 1.722 21.628 ( -0.948 -7.633 -4.119) 8.725 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.182 ( 14.113 -5.462 -3.031) 15.433 4.513 ( -11.180 2.345 4.063) 12.124 4.854 ( 23.792 11.365 -0.630) 26.374 6.622 ( -11.366 21.320 1.272) 24.194 7.221 ( -24.682 -20.142 3.680) 32.069 7.733 ( -6.022 -4.858 0.694) 7.769 8.147 ( -1.334 -4.940 -8.493) 9.915 8.323 ( -1.429 -5.256 4.756) 7.231 8.538 ( 0.181 -0.677 -0.263) 0.748 8.756 ( 6.149 4.730 -1.373) 7.878 9.815 ( 8.922 2.184 -4.289) 10.137 10.562 ( 12.624 5.142 4.626) 14.394 11.063 ( 5.049 -4.275 1.420) 6.766 11.312 ( 11.602 -7.363 0.512) 13.751 11.797 ( -8.256 4.734 1.531) 9.640 12.188 ( -13.893 -0.680 0.422) 13.916 12.870 ( -1.925 3.520 -4.669) 6.156 13.767 ( 5.262 1.751 0.219) 5.550 13.987 ( -6.371 -7.305 -0.457) 9.704 15.477 ( 8.271 0.422 0.349) 8.289 16.730 ( 8.052 10.251 -0.080) 13.035 17.364 ( -2.670 5.330 -1.696) 6.198 17.586 ( -7.065 -5.839 0.852) 9.205 18.876 ( -1.587 -6.381 11.182) 12.973 19.314 ( -7.104 2.516 -13.995) 15.896 20.065 ( 3.935 9.101 8.479) 13.046 20.216 ( 1.429 -2.569 -2.178) 3.659 20.998 ( 0.774 -0.103 -0.388) 0.872 21.014 ( 2.496 1.172 0.787) 2.867 21.522 ( -0.636 -5.321 -2.771) 6.033 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.076 ( -6.720 -15.825 0.147) 17.193 4.509 ( -1.081 7.611 -0.121) 7.689 5.207 ( 2.013 0.007 -0.013) 2.013 6.611 ( -0.970 -11.118 0.767) 11.187 6.757 ( -13.099 14.503 -1.670) 19.614 7.715 ( 4.435 0.221 5.817) 7.318 8.034 ( -2.988 0.127 -8.461) 8.974 8.266 ( 0.958 -9.467 2.316) 9.793 8.577 ( 5.227 -1.709 -0.187) 5.502 8.924 ( 4.559 10.121 1.926) 11.266 10.034 ( 12.476 4.931 -0.801) 13.439 10.787 ( 4.175 7.507 -0.184) 8.592 10.989 ( -13.935 -9.020 1.141) 16.639 11.334 ( -1.258 -0.175 0.116) 1.276 11.776 ( 5.880 -2.660 -2.757) 7.018 11.934 ( -10.661 2.897 1.767) 11.188 12.919 ( 4.455 -3.632 0.388) 5.761 13.827 ( -0.418 -0.130 -0.241) 0.500 13.915 ( 3.961 1.117 -0.040) 4.115 15.546 ( -0.175 -0.547 0.003) 0.574 16.974 ( 11.872 3.270 -0.216) 12.316 17.278 ( -12.435 1.160 0.661) 12.506 17.535 ( 4.987 2.171 -0.879) 5.509 18.712 ( -11.176 -9.558 5.308) 15.634 19.163 ( -4.881 -1.566 -8.095) 9.581 20.103 ( -2.367 -4.423 8.651) 10.000 20.387 ( 8.149 13.428 -4.979) 16.478 21.012 ( 0.609 0.154 -0.810) 1.025 21.044 ( -0.140 0.078 0.146) 0.217 21.503 ( 4.631 -2.847 0.277) 5.443 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.760 ( -18.524 -7.179 7.083) 21.091 4.515 ( -3.826 -2.691 -2.060) 5.111 4.890 ( -15.245 -20.098 -2.485) 25.348 6.455 ( -16.050 16.832 -1.188) 23.288 7.040 ( 26.529 2.609 -1.810) 26.718 7.866 ( -0.878 4.531 3.142) 5.583 8.026 ( 10.758 3.067 -1.864) 11.341 8.197 ( 1.680 -9.137 -1.302) 9.381 8.669 ( 8.160 -2.413 -0.797) 8.547 9.131 ( 3.344 12.869 3.958) 13.873 10.291 ( 7.546 3.711 4.834) 9.699 10.359 ( -31.851 -9.046 -5.049) 33.494 10.953 ( 2.943 1.585 3.617) 4.925 11.370 ( 0.547 6.674 -0.973) 6.767 11.764 ( -0.078 -6.142 -0.841) 6.200 11.988 ( 9.201 3.236 -3.006) 10.206 12.876 ( -2.205 -9.953 0.575) 10.211 13.837 ( -1.121 4.131 1.094) 4.418 14.070 ( 10.229 4.342 0.200) 11.114 15.473 ( -4.842 -4.793 0.421) 6.826 17.033 ( -14.399 -0.291 0.693) 14.418 17.191 ( 8.241 4.538 -3.711) 10.114 17.705 ( 9.652 3.809 0.709) 10.400 18.459 ( -8.630 -7.407 1.103) 11.427 18.967 ( -10.234 -7.205 -0.475) 12.525 20.081 ( 0.823 -4.379 3.097) 5.427 20.609 ( 4.325 14.458 -4.311) 15.695 20.984 ( -1.784 -1.028 -1.637) 2.630 21.051 ( 0.090 1.156 0.774) 1.394 21.609 ( 9.160 -3.123 1.656) 9.818 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( -26.776 -0.444 12.182) 29.421 4.039 ( -30.540 -16.598 1.092) 34.777 4.750 ( 14.591 -10.926 -6.151) 19.238 6.346 ( -20.328 23.521 -1.343) 31.117 7.499 ( 23.097 -4.255 -1.435) 23.529 7.884 ( 1.925 6.325 0.773) 6.657 8.137 ( 1.389 -4.585 -3.747) 6.082 8.343 ( 17.872 1.364 1.526) 17.988 8.803 ( 9.505 -2.202 0.946) 9.803 9.239 ( -11.570 9.539 -5.027) 15.816 9.738 ( -20.024 -2.788 11.816) 23.417 10.543 ( 13.372 -1.248 2.319) 13.629 10.973 ( -2.114 -3.731 6.956) 8.172 11.445 ( -1.105 7.786 -1.048) 7.933 11.701 ( 1.199 -0.495 -10.515) 10.595 12.158 ( 10.517 -2.190 -3.144) 11.193 12.683 ( -7.605 -10.153 1.311) 12.753 13.858 ( -3.788 6.242 2.074) 7.591 14.341 ( 14.394 5.630 -0.047) 15.456 15.308 ( -6.170 -9.241 0.839) 11.143 16.779 ( -18.054 7.026 -1.429) 19.425 17.320 ( 4.998 2.921 -4.297) 7.210 17.900 ( 7.978 3.539 -3.598) 9.440 18.333 ( 0.467 -5.777 6.108) 8.420 18.675 ( -13.397 -10.535 3.207) 17.342 20.071 ( 1.245 -2.796 -1.132) 3.263 20.763 ( 0.608 12.505 -4.811) 13.413 20.947 ( -1.332 0.592 0.930) 1.729 21.070 ( 0.888 1.246 -0.860) 1.756 21.740 ( 9.678 -6.010 0.919) 11.429 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -15.388 10.579 17.571) 25.640 3.534 ( -6.490 28.839 1.689) 29.608 4.995 ( 20.839 -8.121 -0.745) 22.378 6.258 ( -35.963 19.121 1.988) 40.778 7.584 ( 0.919 -1.394 -1.395) 2.176 7.956 ( 0.648 -6.465 -2.116) 6.833 8.156 ( -2.227 -8.704 2.944) 9.454 8.469 ( 8.472 2.673 0.323) 8.890 8.617 ( 11.727 -13.422 1.841) 17.918 9.524 ( 5.145 -2.175 -3.974) 6.855 10.023 ( -5.240 -3.187 6.769) 9.134 10.698 ( 18.026 -0.744 1.970) 18.148 10.793 ( -5.329 -9.474 -9.702) 14.570 11.232 ( -2.310 10.659 -5.583) 12.252 11.997 ( -4.551 -0.062 15.522) 16.176 12.047 ( 9.127 -2.856 -0.265) 9.567 12.419 ( -4.831 4.383 -7.293) 9.784 13.869 ( -6.297 2.076 -2.878) 7.228 14.393 ( -3.148 -13.220 -1.260) 13.648 15.225 ( 9.507 6.574 -1.916) 11.716 16.569 ( -15.184 9.458 0.702) 17.903 17.396 ( -6.516 4.380 -6.899) 10.452 17.908 ( 4.434 -5.551 -1.094) 7.188 18.250 ( 0.527 6.473 3.689) 7.469 18.753 ( 1.562 5.765 12.995) 14.302 19.977 ( 2.230 -1.334 -5.649) 6.218 20.936 ( -1.135 3.195 -0.342) 3.408 21.003 ( -1.985 1.887 0.260) 2.751 21.141 ( 0.836 0.653 -8.610) 8.675 21.520 ( 3.153 -12.883 2.007) 13.414 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -9.947 15.025 21.021) 27.687 3.750 ( -9.444 33.040 0.031) 34.363 5.227 ( 14.351 -7.512 0.037) 16.199 5.900 ( -27.704 24.832 0.786) 37.212 7.565 ( 1.405 -2.298 -3.165) 4.156 7.892 ( 0.111 -3.081 -0.945) 3.225 8.126 ( 2.084 -3.049 4.283) 5.655 8.603 ( 5.870 -7.084 2.673) 9.580 8.717 ( 17.234 -16.132 2.216) 23.710 9.469 ( 1.413 -11.310 -7.808) 13.816 9.936 ( -2.039 -7.905 2.089) 8.426 10.515 ( -13.649 -1.608 0.807) 13.767 10.985 ( 10.596 0.613 -4.475) 11.518 11.356 ( 7.232 8.942 -0.987) 11.543 11.767 ( -17.270 -13.427 7.668) 23.181 12.212 ( 3.481 5.110 2.332) 6.608 12.509 ( 11.358 10.298 -4.832) 16.075 13.743 ( -8.427 1.526 -2.258) 8.857 14.239 ( 1.378 -11.009 -1.609) 11.211 15.393 ( 3.173 2.521 -0.331) 4.066 16.439 ( -11.498 12.309 0.203) 16.845 17.303 ( -3.402 5.318 -8.536) 10.617 17.908 ( 2.784 -6.392 0.516) 6.991 18.369 ( -1.090 10.352 4.275) 11.253 18.884 ( -3.213 11.400 9.695) 15.306 19.994 ( 4.738 -0.286 -5.628) 7.362 20.893 ( -4.028 -0.800 0.440) 4.131 21.023 ( 0.012 -4.388 -1.386) 4.601 21.072 ( 1.131 0.125 -9.689) 9.756 21.486 ( 4.247 -9.431 4.367) 11.228 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( -4.260 16.882 19.481) 26.128 3.754 ( -22.387 22.960 1.045) 32.085 5.290 ( 3.214 -9.461 -2.062) 10.202 5.939 ( -4.713 38.310 0.427) 38.601 7.603 ( 5.702 2.090 -1.442) 6.242 7.875 ( 2.682 -2.894 -4.050) 5.654 8.194 ( 2.586 1.003 4.266) 5.088 8.613 ( 9.066 -16.554 2.706) 19.067 8.856 ( 11.966 -12.565 3.117) 17.629 9.323 ( 1.624 -13.475 -4.761) 14.383 9.787 ( -2.110 -13.334 -3.244) 13.885 10.275 ( -17.193 0.896 7.271) 18.689 11.074 ( 4.796 -3.081 -4.737) 7.411 11.248 ( -18.312 -17.399 5.204) 25.790 11.669 ( 9.705 10.690 -5.265) 15.368 12.255 ( -4.275 6.086 -0.705) 7.471 12.884 ( 17.146 10.038 3.977) 20.263 13.596 ( -8.745 2.920 -2.627) 9.586 14.219 ( 8.371 -7.832 -1.973) 11.632 15.328 ( -9.908 -3.590 0.507) 10.551 16.441 ( -5.017 14.392 0.815) 15.263 17.320 ( 3.683 9.196 -9.314) 13.597 17.893 ( 2.429 -5.584 0.702) 6.130 18.422 ( -7.103 8.330 4.245) 11.742 19.015 ( -2.572 16.207 6.998) 17.840 20.067 ( 5.669 2.279 -4.603) 7.650 20.750 ( -4.668 -13.020 -3.854) 14.358 20.921 ( -2.675 -0.633 -1.134) 2.973 21.082 ( 1.503 -0.771 -3.943) 4.290 21.526 ( 6.284 -6.803 3.535) 9.913 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( -14.766 8.772 4.969) 17.880 3.698 ( -5.463 23.109 11.568) 26.413 5.166 ( -1.811 -13.676 -3.166) 14.154 6.369 ( 2.684 44.528 -0.471) 44.611 7.780 ( 8.993 6.468 -1.115) 11.133 7.886 ( 3.587 0.448 -5.042) 6.204 8.240 ( 2.654 -3.385 1.125) 4.446 8.622 ( 6.190 -14.782 0.924) 16.052 8.901 ( 4.809 -10.475 1.563) 11.632 9.208 ( 1.780 -15.402 7.018) 17.019 9.625 ( 2.564 -11.436 -6.039) 13.185 10.004 ( -19.232 -0.542 6.566) 20.329 10.792 ( -12.220 -18.747 3.836) 22.704 11.067 ( 1.531 -5.509 -4.994) 7.592 11.913 ( 8.043 9.481 -2.596) 12.701 12.219 ( -3.702 4.097 -2.750) 6.169 13.229 ( 4.932 5.972 9.409) 12.187 13.519 ( -0.473 8.025 -7.179) 10.778 14.338 ( 14.030 -5.860 -1.471) 15.276 15.042 ( -16.046 -5.646 0.124) 17.011 16.514 ( -4.281 13.550 1.776) 14.321 17.467 ( 6.036 7.632 -7.107) 12.049 17.934 ( 8.274 -0.730 -0.356) 8.313 18.341 ( -12.018 5.104 2.794) 13.352 19.205 ( -0.289 18.889 6.045) 19.835 20.150 ( 3.107 1.958 -5.482) 6.598 20.485 ( -4.973 -16.053 -1.621) 16.884 20.897 ( -1.051 1.333 0.736) 1.850 21.053 ( -0.224 -2.685 -2.655) 3.783 21.582 ( 5.496 -6.108 1.099) 8.290 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -1.797 5.147 1.406) 5.630 3.995 ( 3.573 21.413 8.749) 23.406 4.937 ( -3.641 -17.205 -3.749) 17.981 6.819 ( -1.612 40.861 0.517) 40.896 7.884 ( 2.003 0.448 -4.434) 4.886 8.012 ( 6.680 5.594 -3.959) 9.571 8.281 ( 4.729 -1.702 1.643) 5.287 8.470 ( -5.727 -12.417 -1.717) 13.781 8.804 ( -3.786 -9.890 1.359) 10.677 9.128 ( -5.658 -17.927 3.750) 19.169 9.614 ( 8.582 -0.267 3.151) 9.146 9.747 ( -8.458 -3.521 4.040) 10.013 10.554 ( 4.043 -17.063 1.766) 17.624 11.006 ( 1.170 -5.403 -1.695) 5.782 12.083 ( 2.615 8.238 -0.059) 8.643 12.191 ( -2.036 2.132 -2.088) 3.613 13.275 ( -2.606 2.065 -0.937) 3.455 13.631 ( 1.089 9.310 -0.808) 9.408 14.513 ( 8.310 -7.681 -1.745) 11.450 14.757 ( -5.812 -2.220 1.578) 6.418 16.582 ( -3.647 12.399 1.494) 13.010 17.518 ( -0.821 1.594 -4.180) 4.549 18.146 ( -8.493 1.049 3.807) 9.366 18.207 ( 12.520 5.376 -3.547) 14.080 19.443 ( 1.150 19.604 6.011) 20.537 20.033 ( -4.823 -11.668 -11.019) 16.758 20.359 ( -0.213 -3.663 5.813) 6.874 20.910 ( 0.064 1.487 1.282) 1.964 21.004 ( -0.475 -2.509 -1.602) 3.015 21.594 ( 2.612 -5.629 -1.059) 6.295 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( 17.861 2.916 0.817) 18.116 4.277 ( 6.779 7.017 -0.443) 9.767 4.714 ( -2.475 -7.648 -1.128) 8.117 7.086 ( -9.339 28.733 1.114) 30.233 7.864 ( -5.092 2.063 -0.480) 5.515 7.949 ( -4.656 -18.221 -1.395) 18.858 8.324 ( -5.491 1.643 -3.652) 6.796 8.383 ( -0.159 7.339 0.815) 7.386 8.623 ( -5.799 -13.058 4.949) 15.120 8.742 ( -9.792 -5.094 -7.307) 13.237 9.658 ( -1.078 -3.833 2.635) 4.775 9.951 ( 19.092 3.758 8.596) 21.273 10.587 ( 16.577 -13.966 -2.002) 21.768 11.009 ( 3.801 -2.811 2.290) 5.253 12.132 ( -6.693 0.672 1.965) 7.008 12.202 ( 3.255 6.349 0.508) 7.153 13.206 ( -4.841 1.424 -10.418) 11.576 13.687 ( -2.951 5.782 3.954) 7.601 14.320 ( -11.478 -7.475 -0.291) 13.701 14.945 ( 17.801 -0.334 1.411) 17.859 16.656 ( -1.398 9.669 0.824) 9.804 17.472 ( -3.155 2.263 -3.366) 5.138 17.932 ( -12.909 -1.190 1.567) 13.058 18.542 ( 17.362 0.683 0.487) 17.382 19.613 ( -7.028 2.023 -1.586) 7.484 19.827 ( 4.122 3.985 -6.648) 8.779 20.355 ( -3.124 -1.945 8.327) 9.104 20.937 ( 1.101 0.044 0.548) 1.230 20.986 ( 0.280 0.711 0.656) 1.007 21.550 ( -0.310 -4.889 -2.496) 5.498 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.821 ( 16.606 -8.228 -3.800) 18.918 4.351 ( 17.032 -14.360 -4.257) 22.681 4.786 ( 1.683 16.445 2.073) 16.660 7.026 ( -16.009 -0.204 -0.800) 16.030 7.578 ( -23.272 2.758 2.321) 23.549 7.806 ( -5.199 -2.768 -0.355) 5.900 8.053 ( -6.145 -7.248 -3.667) 10.186 8.333 ( -4.386 -5.683 2.037) 7.462 8.634 ( -4.058 4.762 0.442) 6.272 8.732 ( 6.855 12.740 -1.139) 14.512 9.681 ( 5.362 -0.030 2.167) 5.783 10.343 ( 18.886 0.392 2.049) 19.001 10.788 ( 19.047 -6.685 -2.114) 20.297 11.090 ( 5.154 -2.178 4.218) 7.007 12.004 ( -9.520 -1.473 4.751) 10.741 12.306 ( 0.490 3.815 -0.292) 3.857 12.999 ( -11.234 1.200 -10.810) 15.636 13.735 ( 1.424 2.101 3.912) 4.664 14.071 ( -9.992 -3.806 0.669) 10.713 15.253 ( 16.228 -0.250 0.611) 16.241 16.735 ( 2.031 4.370 0.502) 4.845 17.436 ( -2.484 4.080 -1.565) 5.027 17.720 ( -10.802 -1.022 0.890) 10.887 18.777 ( 10.739 -6.888 4.895) 13.665 19.331 ( -8.663 -8.911 -13.917) 18.658 20.073 ( 8.133 16.128 -4.673) 18.657 20.311 ( -6.206 -1.501 13.584) 15.010 20.955 ( 1.963 -1.111 -0.284) 2.273 21.032 ( 0.509 3.543 3.123) 4.750 21.469 ( -1.355 -4.126 -3.030) 5.295 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( 7.792 -22.731 -7.990) 25.323 4.579 ( 11.748 -3.172 0.480) 12.178 5.014 ( 8.473 4.940 0.523) 9.822 6.605 ( -13.769 -17.640 -0.727) 22.390 7.270 ( -22.002 16.893 -5.054) 28.195 7.744 ( -2.366 3.301 4.981) 6.427 7.992 ( 0.206 2.440 -2.420) 3.443 8.201 ( -2.805 -8.834 0.498) 9.282 8.606 ( -4.291 3.505 2.399) 6.038 8.985 ( 5.335 15.480 1.374) 16.431 9.861 ( 10.966 1.956 3.460) 11.664 10.629 ( 16.343 -3.083 -1.989) 16.750 11.039 ( 11.041 2.499 -3.335) 11.802 11.139 ( 3.010 -7.503 2.696) 8.522 11.840 ( -9.862 -2.532 3.918) 10.909 12.195 ( -13.793 2.237 -4.499) 14.680 12.854 ( -0.547 -1.228 -0.852) 1.591 13.800 ( 2.857 -1.057 1.451) 3.374 13.945 ( -4.032 3.799 1.555) 5.754 15.464 ( 8.055 -1.569 -0.200) 8.209 16.823 ( 6.747 -2.440 1.054) 7.252 17.447 ( -2.002 3.065 1.492) 3.953 17.568 ( -7.153 4.868 -1.062) 8.717 18.781 ( -4.087 -13.125 5.924) 14.969 19.074 ( -0.274 -5.860 -15.798) 16.852 20.169 ( -3.149 -1.572 1.471) 3.815 20.427 ( 3.838 15.590 5.459) 16.959 20.981 ( 1.945 -0.657 0.117) 2.056 21.082 ( -1.427 3.162 3.190) 4.713 21.413 ( 1.605 -3.249 -1.616) 3.968 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( 8.875 -21.551 -4.816) 23.800 4.604 ( -3.601 -3.381 -0.348) 4.952 4.933 ( -13.891 -18.311 1.860) 23.059 6.498 ( 15.262 -1.744 -1.824) 15.469 7.099 ( -16.398 21.493 -5.197) 27.529 7.831 ( 6.633 0.916 1.504) 6.863 8.022 ( -4.561 8.034 0.162) 9.240 8.091 ( 1.028 -5.686 0.459) 5.797 8.609 ( 0.420 1.868 2.392) 3.063 9.235 ( 4.021 14.903 3.555) 15.840 10.081 ( 11.450 -2.966 3.501) 12.336 10.816 ( -14.833 -4.631 -3.404) 15.908 10.839 ( 2.598 -6.893 1.485) 7.514 11.305 ( 12.267 4.149 -6.261) 14.384 11.700 ( -4.062 -1.718 -0.788) 4.480 12.000 ( -7.344 1.986 -0.236) 7.612 12.838 ( -0.507 -6.042 3.715) 7.111 13.856 ( 3.351 2.620 0.416) 4.274 14.012 ( 3.098 6.640 1.792) 7.543 15.483 ( -1.613 -5.175 0.027) 5.420 16.928 ( 9.496 -7.679 2.157) 12.401 17.376 ( -9.559 8.832 -3.458) 13.466 17.628 ( 4.554 5.486 3.241) 7.832 18.531 ( -9.280 -9.359 -2.427) 13.402 18.946 ( -0.719 -10.679 -6.007) 12.273 20.101 ( -3.546 -2.384 4.765) 6.400 20.669 ( 4.244 15.705 -2.691) 16.490 20.993 ( -0.511 -0.354 0.170) 0.644 21.090 ( -1.958 2.450 2.951) 4.306 21.449 ( 5.934 -3.309 0.842) 6.847 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( 2.885 -14.814 1.222) 15.142 4.334 ( -15.824 -28.333 -0.748) 32.461 4.511 ( -11.025 2.047 1.315) 11.290 6.804 ( 5.109 10.666 -0.281) 11.830 7.122 ( 5.514 14.906 -4.518) 16.523 7.923 ( 2.967 -8.702 -0.624) 9.215 7.991 ( 2.256 6.186 -4.671) 8.073 8.190 ( 4.557 5.929 5.168) 9.090 8.693 ( 5.539 0.761 3.406) 6.547 9.430 ( -0.575 11.642 1.722) 11.782 10.103 ( -13.391 -9.337 -3.427) 16.681 10.369 ( -4.668 -5.284 4.697) 8.472 10.961 ( 5.919 -2.547 4.114) 7.645 11.496 ( 5.462 8.765 -3.926) 11.049 11.619 ( -0.904 -2.927 -7.210) 7.834 11.959 ( 1.936 -2.046 -2.055) 3.487 12.750 ( -4.971 -5.885 5.237) 9.315 13.946 ( 1.159 4.180 1.367) 4.548 14.198 ( 9.167 7.809 0.363) 12.048 15.334 ( -6.708 -8.761 0.544) 11.047 16.976 ( 0.958 -5.635 1.793) 5.990 17.332 ( -3.926 12.773 -4.940) 14.246 17.798 ( 6.402 3.689 1.846) 7.616 18.321 ( -3.590 -6.075 -0.012) 7.057 18.734 ( -6.755 -13.954 -1.212) 15.550 20.060 ( -1.909 -1.221 2.533) 3.398 20.838 ( 1.949 11.987 -7.348) 14.194 20.983 ( -0.200 1.475 1.135) 1.872 21.104 ( -2.585 3.241 3.731) 5.578 21.531 ( 7.518 -5.870 0.979) 9.588 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( 0.237 8.920 5.026) 10.241 3.895 ( -0.046 18.305 4.892) 18.947 4.557 ( 14.757 -4.341 0.897) 15.408 6.918 ( -21.022 3.787 4.254) 21.779 7.559 ( 2.395 -10.276 3.075) 10.990 7.811 ( 2.007 4.247 1.434) 4.912 8.158 ( -4.332 -5.526 1.052) 7.100 8.285 ( 4.288 -8.950 1.123) 9.987 8.555 ( -4.679 2.890 -4.035) 6.821 9.390 ( 2.098 -3.002 -10.115) 10.757 10.162 ( -10.398 -1.037 1.397) 10.542 10.219 ( 30.940 -4.129 1.371) 31.244 10.804 ( -2.114 -0.297 -9.540) 9.776 11.355 ( -2.522 7.954 -4.893) 9.673 11.891 ( 3.206 0.145 2.262) 3.926 12.165 ( -1.946 3.147 14.949) 15.400 12.505 ( -5.181 -0.945 -3.441) 6.291 13.941 ( -3.082 -0.416 -3.228) 4.482 14.351 ( -6.814 -10.062 -1.299) 12.221 15.131 ( 8.533 8.280 -2.139) 12.081 16.834 ( -7.101 3.806 -1.992) 8.300 17.554 ( -9.955 3.409 -2.788) 10.886 17.744 ( 4.468 -7.822 -0.419) 9.018 18.296 ( 3.577 5.715 3.936) 7.807 18.785 ( 11.020 3.059 15.841) 19.538 19.927 ( -2.957 -0.211 -6.212) 6.883 20.945 ( 1.263 2.230 -0.908) 2.719 21.019 ( 2.672 -1.975 -6.858) 7.620 21.174 ( -9.365 -1.485 1.710) 9.635 21.407 ( 0.908 -2.234 -0.030) 2.411 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( -5.828 13.447 12.758) 19.431 4.174 ( -1.940 32.101 1.272) 32.184 4.828 ( 21.462 -6.876 -1.480) 22.585 6.531 ( -27.072 5.011 2.931) 27.688 7.540 ( 1.441 -5.672 3.690) 6.919 7.847 ( 2.372 -5.067 1.108) 5.704 8.066 ( 0.152 -3.342 1.825) 3.811 8.268 ( 6.874 -16.249 -0.431) 17.649 8.553 ( 2.708 1.983 -0.839) 3.459 9.292 ( 0.531 -9.407 -10.512) 14.116 9.948 ( -7.906 -3.741 -4.712) 9.935 10.653 ( 10.481 3.549 -4.801) 12.062 10.810 ( 4.867 5.975 4.989) 9.180 11.381 ( -0.268 8.676 -2.877) 9.144 11.978 ( -16.922 -16.339 11.222) 26.062 12.047 ( 13.179 0.057 2.873) 13.488 12.527 ( 0.581 13.046 -5.009) 13.986 13.851 ( -5.016 0.311 -3.142) 5.927 14.142 ( -3.510 -10.714 -0.633) 11.292 15.350 ( 6.904 7.494 -0.786) 10.220 16.721 ( -9.948 7.277 -2.316) 12.541 17.403 ( -7.559 3.687 -5.078) 9.824 17.750 ( 5.759 -10.182 1.370) 11.778 18.468 ( 3.617 8.015 5.572) 10.410 19.072 ( 4.223 8.065 16.169) 18.556 19.859 ( 2.180 -0.727 -10.348) 10.600 20.942 ( -3.267 -9.656 -7.424) 12.611 20.984 ( -0.147 1.982 -0.201) 1.998 21.029 ( -3.080 0.649 -0.140) 3.150 21.406 ( 0.996 -1.866 1.770) 2.758 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -5.864 16.551 15.214) 23.233 4.328 ( -15.307 22.993 -0.187) 27.622 5.061 ( 11.310 -6.930 -2.913) 13.580 6.298 ( -7.200 15.291 0.067) 16.901 7.554 ( 1.812 1.636 2.476) 3.477 7.831 ( 2.470 -7.094 0.684) 7.543 8.137 ( 9.667 -3.285 2.837) 10.597 8.188 ( 5.464 -18.867 -1.321) 19.687 8.644 ( 6.589 -1.884 0.592) 6.878 9.127 ( 0.740 -11.976 -8.652) 14.793 9.772 ( -6.875 -2.283 -3.871) 8.213 10.621 ( -11.657 5.071 2.875) 13.033 10.999 ( 2.725 3.961 0.490) 4.832 11.412 ( -11.302 -12.828 6.898) 18.435 11.615 ( -2.044 3.002 -4.954) 6.143 12.294 ( 7.765 -0.090 1.947) 8.006 12.710 ( 11.873 12.070 -0.536) 16.940 13.740 ( -6.846 1.132 -2.334) 7.321 14.035 ( 2.693 -8.153 -0.122) 8.587 15.441 ( -3.433 2.004 0.526) 4.010 16.652 ( -5.826 10.258 -1.717) 11.921 17.334 ( -1.836 5.957 -5.521) 8.327 17.750 ( 5.278 -9.859 0.712) 11.206 18.601 ( -1.131 6.255 5.040) 8.112 19.274 ( -2.487 13.166 13.616) 19.103 19.891 ( 9.473 -0.785 -10.859) 14.431 20.689 ( -6.937 -13.360 -5.072) 15.885 20.963 ( -2.524 1.129 0.129) 2.768 21.033 ( 1.173 0.023 -2.516) 2.776 21.434 ( 2.526 -1.424 3.002) 4.174 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( -12.544 10.984 9.076) 18.984 4.171 ( -18.872 17.162 4.587) 25.918 5.010 ( 0.244 -14.722 -5.080) 15.576 6.600 ( 12.043 29.239 -2.340) 31.708 7.681 ( 6.874 5.315 -0.603) 8.711 7.819 ( 5.150 -6.677 -1.370) 8.543 8.090 ( 3.167 -12.105 -0.467) 12.521 8.322 ( 13.228 -6.115 2.195) 14.737 8.722 ( 6.427 -5.147 0.768) 8.269 9.011 ( 3.196 -12.057 -2.409) 12.704 9.617 ( -7.422 0.498 -0.509) 7.456 10.407 ( -20.088 -0.114 6.019) 20.971 10.940 ( -18.979 -12.394 4.324) 23.076 11.019 ( -3.035 -1.986 -1.503) 3.926 11.793 ( 11.161 7.205 -5.050) 14.211 12.301 ( -3.654 0.393 -2.835) 4.641 13.137 ( 19.005 8.970 5.581) 21.743 13.611 ( -7.661 2.191 -3.590) 8.740 14.076 ( 9.306 -4.789 0.307) 10.471 15.275 ( -14.585 -2.187 0.429) 14.755 16.688 ( -2.232 9.005 0.643) 9.300 17.399 ( 4.645 6.644 -4.842) 9.442 17.764 ( 7.079 -6.564 -0.538) 9.669 18.593 ( -8.380 4.100 2.806) 9.741 19.446 ( -1.911 16.871 8.955) 19.195 19.988 ( 8.916 -4.371 -10.562) 14.497 20.416 ( -5.291 -12.765 -1.136) 13.864 20.940 ( -1.759 1.405 0.731) 2.367 21.018 ( -0.167 -1.662 -1.884) 2.518 21.491 ( 2.860 -0.493 2.659) 3.936 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.516 ( -18.947 0.895 1.327) 19.014 4.232 ( -4.159 16.387 6.241) 18.021 4.790 ( -1.750 -16.307 -5.425) 17.275 7.094 ( 10.084 26.877 -1.979) 28.774 7.802 ( 8.082 -0.977 -5.794) 9.993 7.840 ( 5.115 -9.328 -3.091) 11.078 8.151 ( 9.304 5.620 -0.177) 10.871 8.421 ( 2.917 -3.782 -0.110) 4.778 8.765 ( 0.118 -5.335 0.776) 5.392 8.967 ( 6.142 -12.475 5.185) 14.840 9.575 ( -0.454 4.464 4.458) 6.325 9.998 ( -21.156 -10.018 2.653) 23.558 10.568 ( -15.805 -4.588 4.546) 17.074 10.966 ( -1.308 -0.979 -0.132) 1.640 12.023 ( 10.830 4.727 -3.653) 12.369 12.214 ( -3.112 -0.232 -3.909) 5.002 13.403 ( -6.717 1.359 5.979) 9.095 13.587 ( 10.398 5.886 -4.986) 12.947 14.250 ( 13.229 -1.254 0.668) 13.305 14.965 ( -17.071 -2.555 0.812) 17.280 16.727 ( -2.048 4.412 1.653) 5.138 17.493 ( 2.389 1.839 -2.403) 3.856 17.918 ( 15.425 0.187 -1.658) 15.515 18.440 ( -13.856 2.800 0.171) 14.137 19.653 ( 0.536 18.692 4.671) 19.274 19.871 ( -1.339 -17.024 -11.721) 20.712 20.338 ( 2.719 -2.994 4.817) 6.290 20.934 ( -0.852 0.359 0.661) 1.136 20.990 ( -0.426 -0.617 0.066) 0.753 21.538 ( 0.938 0.418 1.419) 1.751 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( -0.242 -1.398 0.381) 1.469 4.186 ( -3.760 -14.639 -6.981) 16.649 4.727 ( 2.040 8.807 1.556) 9.173 7.304 ( 1.017 -5.044 -2.908) 5.910 7.823 ( -0.990 4.842 -1.629) 5.203 7.957 ( 8.616 5.889 -3.006) 10.860 8.363 ( 3.661 5.269 -4.218) 7.679 8.431 ( 0.898 4.632 2.191) 5.202 8.632 ( -4.664 -11.775 6.554) 14.260 8.843 ( -12.409 -3.126 -7.988) 15.086 9.697 ( -3.084 -7.065 3.490) 8.462 9.768 ( 10.923 2.645 11.883) 16.356 10.360 ( -5.396 -0.708 0.676) 5.484 10.977 ( 1.205 2.123 2.961) 3.838 12.154 ( -0.466 -1.898 -3.212) 3.760 12.201 ( 6.482 3.281 -0.627) 7.292 13.260 ( -7.951 -0.497 -4.283) 9.045 13.757 ( 3.467 1.532 1.642) 4.131 14.429 ( 0.031 1.703 0.635) 1.818 14.750 ( 0.005 -0.977 2.049) 2.270 16.727 ( -0.723 -0.904 1.239) 1.696 17.513 ( -0.644 3.056 -1.121) 3.319 18.179 ( -7.728 -2.067 3.028) 8.554 18.229 ( 10.387 1.677 -5.100) 11.693 19.569 ( -3.670 -18.318 -11.969) 22.187 19.888 ( 2.288 19.138 1.705) 19.349 20.397 ( 1.766 -2.615 7.991) 8.591 20.919 ( -0.042 -1.299 -0.267) 1.327 21.011 ( 0.597 2.511 3.068) 4.009 21.540 ( -2.167 1.040 -0.143) 2.408 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 13.499 -7.857 -2.950) 15.895 3.911 ( 6.486 -22.999 -9.000) 25.535 4.920 ( 2.491 15.765 0.918) 15.987 7.068 ( -6.065 -25.737 -3.617) 26.689 7.847 ( -4.554 6.516 -1.494) 8.089 8.028 ( -11.365 5.834 4.269) 13.469 8.163 ( -12.680 -8.118 0.580) 15.068 8.419 ( -7.682 3.100 -0.520) 8.301 8.699 ( 1.091 5.185 -3.453) 6.324 8.727 ( 8.535 14.070 -3.120) 16.749 9.680 ( 0.989 -1.839 6.760) 7.075 10.009 ( 11.354 -3.576 2.214) 12.108 10.468 ( 13.943 5.292 0.511) 14.922 11.073 ( 2.280 4.626 5.356) 7.435 12.096 ( -2.456 -4.051 0.098) 4.738 12.313 ( 3.078 1.745 2.167) 4.149 13.078 ( -7.108 -1.846 -10.467) 12.786 13.771 ( -1.337 -3.045 3.525) 4.847 14.285 ( -13.926 3.730 2.476) 14.628 14.970 ( 16.898 1.476 0.935) 16.988 16.705 ( 1.522 -5.844 0.557) 6.065 17.530 ( -2.612 6.133 0.566) 6.690 17.926 ( -13.422 -0.188 -0.895) 13.453 18.477 ( 15.966 -7.305 0.096) 17.558 19.254 ( -5.010 -14.983 -12.758) 20.307 20.113 ( 3.005 16.138 -4.399) 16.995 20.442 ( -0.426 -0.932 12.667) 12.709 20.915 ( 1.177 -1.074 0.050) 1.595 21.088 ( 1.365 4.039 5.542) 6.993 21.482 ( -4.787 0.887 -1.999) 5.263 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 5.739 -25.952 -11.385) 28.915 4.064 ( 28.313 -13.081 -1.776) 31.239 5.090 ( -0.201 12.622 -0.508) 12.634 6.598 ( -11.322 -29.610 -2.714) 31.817 7.649 ( -14.821 1.442 -1.590) 14.976 7.896 ( -6.444 4.994 2.139) 8.428 8.120 ( -2.213 5.412 0.317) 5.856 8.253 ( -11.943 5.410 -0.175) 13.112 8.729 ( -3.205 2.091 3.020) 4.875 9.038 ( 8.211 18.389 -2.828) 20.337 9.767 ( 5.597 -0.616 6.277) 8.433 10.201 ( 17.812 -4.952 -4.782) 19.096 10.803 ( 15.059 8.432 -2.192) 17.398 11.172 ( -0.771 3.206 6.061) 6.900 11.981 ( -6.818 -6.156 5.309) 10.610 12.329 ( -4.011 -0.786 -1.795) 4.464 12.882 ( -5.115 -1.853 -6.951) 8.827 13.741 ( 1.577 -4.949 2.431) 5.735 14.142 ( -10.377 7.261 3.663) 13.185 15.264 ( 13.846 1.174 -0.146) 13.896 16.677 ( 4.288 -9.669 0.447) 10.587 17.539 ( -4.201 3.726 3.959) 6.870 17.749 ( -7.665 4.758 -2.184) 9.283 18.608 ( 9.898 -13.778 2.421) 17.136 18.958 ( -4.996 -9.187 -15.179) 18.433 20.208 ( -1.119 3.902 -2.109) 4.575 20.559 ( 1.774 9.332 7.665) 12.205 20.942 ( 2.341 -0.197 0.882) 2.509 21.190 ( -0.447 5.256 8.563) 10.057 21.383 ( -3.985 -0.651 -3.828) 5.564 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 12.179 -26.817 -10.291) 31.199 4.313 ( 17.056 -22.927 -0.925) 28.590 5.111 ( -9.127 4.943 0.194) 10.381 6.237 ( 4.100 -16.047 -3.291) 16.886 7.494 ( -10.704 11.618 -0.547) 15.807 7.870 ( -4.995 6.677 2.700) 8.765 8.020 ( -2.652 -6.775 -3.465) 8.058 8.260 ( -4.976 16.370 2.342) 17.269 8.679 ( -4.874 -0.014 3.336) 5.906 9.320 ( 5.304 15.868 0.420) 16.736 9.879 ( 8.526 -7.625 -0.151) 11.439 10.468 ( 18.358 -0.710 -1.931) 18.473 11.087 ( -6.304 2.101 -5.240) 8.462 11.125 ( 5.953 5.720 1.576) 8.405 11.806 ( -8.998 -6.353 4.973) 12.085 12.161 ( -9.109 0.460 -4.907) 10.357 12.812 ( -0.150 -5.067 4.317) 6.658 13.782 ( 6.078 -0.902 -0.017) 6.145 14.118 ( -4.418 8.705 3.666) 10.428 15.424 ( 4.227 -1.746 -0.352) 4.587 16.683 ( 8.758 -11.491 0.869) 14.474 17.509 ( -3.026 0.543 2.515) 3.972 17.734 ( -3.531 10.850 0.744) 11.435 18.530 ( -3.138 -13.333 -1.419) 13.771 18.769 ( 1.760 -8.368 -10.971) 13.910 20.178 ( -3.634 -0.690 3.516) 5.104 20.724 ( 3.086 10.125 -1.984) 10.769 20.995 ( 1.507 1.419 1.492) 2.552 21.223 ( -6.176 6.124 3.227) 9.277 21.356 ( 3.173 -1.826 3.198) 4.861 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 18.944 -22.692 -6.445) 30.255 4.134 ( -1.610 -32.552 -1.397) 32.622 4.909 ( -18.564 5.081 3.077) 19.491 6.411 ( 25.385 -4.798 -3.332) 26.048 7.467 ( -9.433 17.168 -0.377) 19.592 7.864 ( -3.679 2.356 2.145) 4.867 7.973 ( 2.769 2.772 -3.183) 5.047 8.338 ( -5.261 11.751 3.550) 13.356 8.642 ( 1.154 -2.930 3.486) 4.697 9.526 ( 2.855 8.904 1.746) 9.513 9.893 ( 8.073 -13.441 -8.146) 17.669 10.686 ( -24.992 -4.406 -3.159) 25.573 10.783 ( 14.591 4.983 3.295) 15.766 11.406 ( 11.140 10.190 -3.500) 15.498 11.620 ( -6.903 -5.899 -2.856) 9.519 12.024 ( -6.580 1.040 0.364) 6.672 12.775 ( -1.310 -7.117 7.694) 10.563 13.910 ( 6.717 1.636 -0.061) 6.914 14.201 ( 1.538 9.969 1.874) 10.260 15.367 ( -5.384 -6.062 0.068) 8.108 16.764 ( 11.927 -10.307 0.770) 15.782 17.495 ( -2.336 5.735 -0.970) 6.268 17.820 ( -0.459 8.624 4.545) 9.759 18.324 ( -4.862 -6.937 -3.744) 9.262 18.635 ( -0.714 -13.100 -5.169) 14.101 20.128 ( -3.972 -0.587 4.463) 6.003 20.836 ( 3.499 6.248 -6.474) 9.653 21.005 ( -1.501 0.200 0.381) 1.561 21.241 ( -1.304 8.869 0.509) 8.979 21.414 ( 1.430 -2.632 6.943) 7.562 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 22.823 -4.811 -0.623) 23.333 3.726 ( 23.144 8.210 -0.673) 24.566 4.706 ( -15.357 9.838 7.570) 19.747 6.842 ( 18.278 -17.562 2.633) 25.484 7.591 ( -10.764 -2.893 5.998) 12.658 7.966 ( -6.125 -2.219 3.402) 7.350 8.239 ( -5.018 -3.294 0.145) 6.004 8.278 ( -10.801 8.342 3.174) 14.012 8.650 ( -7.143 1.590 -5.509) 9.160 9.281 ( -0.191 -2.178 -15.833) 15.983 9.612 ( 33.416 -4.262 5.080) 34.068 10.384 ( -15.769 1.243 -3.528) 16.207 10.732 ( 3.205 1.605 -10.296) 10.902 11.400 ( -0.245 4.577 -4.967) 6.759 11.956 ( -2.626 2.747 4.790) 6.115 12.313 ( 2.356 11.977 11.289) 16.627 12.519 ( -3.892 -10.147 1.049) 10.918 13.912 ( 2.158 -4.208 -2.754) 5.472 14.432 ( -12.914 -5.826 -1.762) 14.276 15.071 ( 7.213 9.657 -2.403) 12.290 16.822 ( 7.823 -2.706 -2.983) 8.800 17.637 ( -2.318 -8.825 7.930) 12.089 17.778 ( -12.485 4.216 -8.185) 15.512 18.304 ( 4.605 6.119 4.433) 8.849 18.615 ( 17.732 -1.013 10.845) 20.810 20.015 ( -7.731 2.309 -1.143) 8.149 20.890 ( 3.483 -3.389 -6.118) 7.814 20.942 ( 0.644 0.891 -0.190) 1.115 21.265 ( -3.227 -7.726 6.181) 10.407 21.496 ( -7.971 9.189 -5.644) 13.410 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.617 ( 15.507 3.212 2.607) 16.050 4.298 ( 25.683 18.796 -1.200) 31.849 4.636 ( -8.822 9.600 5.821) 14.278 6.872 ( -2.992 -12.909 3.329) 13.663 7.334 ( -4.133 -15.628 6.964) 17.601 7.863 ( -7.450 -4.753 -3.388) 9.465 8.095 ( -4.068 -0.709 -0.502) 4.160 8.213 ( -3.869 -0.161 6.526) 7.588 8.561 ( -4.035 4.649 -2.552) 6.663 9.146 ( -0.999 -7.500 -11.874) 14.080 10.085 ( -12.625 2.091 -8.530) 15.379 10.270 ( 33.526 6.372 2.752) 34.237 10.829 ( 4.417 6.145 -2.380) 7.933 11.410 ( 1.705 3.076 -5.781) 6.767 11.964 ( -1.679 -0.916 7.685) 7.920 12.164 ( -14.248 -14.596 7.212) 21.634 12.610 ( 2.977 13.429 -1.047) 13.795 13.881 ( -0.472 -2.183 -1.898) 2.931 14.147 ( -9.377 -7.792 -2.092) 12.370 15.302 ( 7.929 10.023 -1.058) 12.824 16.866 ( -0.936 3.488 -3.776) 5.225 17.545 ( -5.000 -5.793 3.109) 8.260 17.596 ( -3.435 -2.070 -3.607) 5.394 18.481 ( 5.585 3.454 7.932) 10.297 18.998 ( 18.319 1.531 9.796) 20.830 19.885 ( -8.557 4.242 -5.005) 10.783 20.836 ( -0.063 -7.499 -5.364) 9.220 20.977 ( 1.487 2.043 -0.650) 2.609 21.142 ( -6.744 -4.193 4.415) 9.086 21.433 ( -3.591 4.754 -4.335) 7.368 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.911 ( 6.963 10.554 7.577) 14.740 4.606 ( -1.010 -2.091 -0.189) 2.330 4.877 ( 10.887 24.299 -1.351) 26.661 6.568 ( -16.040 -2.013 2.071) 16.298 7.312 ( 17.849 -28.861 4.274) 34.202 7.648 ( -5.890 -2.720 -2.334) 6.895 8.069 ( -0.847 2.191 -2.532) 3.454 8.212 ( -3.018 2.825 7.066) 8.187 8.546 ( 0.411 -0.274 -0.779) 0.922 8.974 ( -1.119 -8.369 -8.727) 12.143 9.911 ( -8.872 6.635 -5.492) 12.365 10.722 ( 5.931 6.908 -3.290) 9.681 10.992 ( 8.294 4.823 4.812) 10.734 11.449 ( 1.087 -2.662 -0.885) 3.009 11.738 ( -14.197 -10.622 2.285) 17.878 12.077 ( 9.090 -2.665 3.517) 10.105 12.746 ( 0.318 11.366 -0.688) 11.391 13.828 ( -3.610 0.442 -1.430) 3.908 13.959 ( -2.694 -6.476 -0.486) 7.031 15.485 ( 2.968 5.612 0.101) 6.349 16.833 ( -6.003 7.782 -3.140) 10.317 17.425 ( -5.248 1.981 -2.325) 6.072 17.552 ( 4.584 -9.688 0.909) 10.756 18.638 ( 4.513 0.465 7.091) 8.418 19.367 ( 15.476 1.344 9.847) 18.393 19.769 ( -6.228 7.068 -8.404) 12.624 20.659 ( -6.308 -10.654 -4.163) 13.063 21.010 ( 0.618 1.241 -1.279) 1.886 21.039 ( -4.424 0.210 1.149) 4.576 21.425 ( 0.274 2.173 -0.094) 2.192 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.118 ( -5.906 12.675 9.164) 16.718 4.519 ( -1.740 -4.295 -3.219) 5.642 4.960 ( -14.765 1.015 -2.078) 14.945 6.590 ( 10.840 16.460 -1.249) 19.748 7.296 ( 17.699 -32.529 -6.037) 37.521 7.675 ( 4.433 5.052 5.579) 8.735 8.063 ( 0.558 1.300 -4.759) 4.965 8.251 ( -1.766 6.883 6.840) 9.863 8.566 ( 5.802 -4.352 -0.002) 7.253 8.870 ( 0.422 -5.313 -2.986) 6.109 9.812 ( -9.309 8.174 -0.556) 12.401 10.671 ( -11.351 -4.768 0.713) 12.332 11.069 ( -4.397 -6.536 2.359) 8.223 11.217 ( -14.761 -0.163 2.746) 15.015 11.683 ( 4.170 6.546 -4.024) 8.742 12.235 ( 8.715 -5.392 -2.597) 10.573 12.939 ( 12.580 8.065 3.099) 15.261 13.744 ( -6.608 1.312 -0.850) 6.790 13.930 ( 4.200 -1.968 0.602) 4.678 15.475 ( -8.128 0.647 0.406) 8.164 16.803 ( -4.061 5.187 -0.114) 6.589 17.399 ( 0.446 4.472 -2.322) 5.058 17.562 ( 6.560 -7.341 -0.626) 9.865 18.705 ( -0.327 -1.088 3.492) 3.672 19.650 ( 13.127 -5.449 2.177) 14.379 19.728 ( -4.489 12.463 -3.609) 13.729 20.404 ( -7.317 -9.499 -2.340) 12.217 20.994 ( -2.645 1.288 0.097) 2.944 21.006 ( -0.411 -0.622 -0.487) 0.891 21.482 ( 2.113 3.326 2.157) 4.492 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.900 ( -23.335 -3.837 0.292) 23.650 4.544 ( -18.431 1.740 1.523) 18.575 4.611 ( 5.819 -5.591 -3.162) 8.667 6.985 ( 15.856 -2.198 -2.691) 16.232 7.333 ( 20.852 -5.920 -8.563) 23.306 7.833 ( 3.002 4.696 1.083) 5.678 8.098 ( 4.782 6.687 -5.489) 9.885 8.371 ( 2.711 5.055 6.465) 8.643 8.694 ( 7.952 1.219 3.945) 8.960 8.809 ( 1.328 -8.053 2.961) 8.683 9.756 ( -8.306 9.649 4.135) 13.386 10.228 ( -22.036 -19.018 -1.608) 29.152 10.916 ( -12.094 4.346 3.173) 13.237 11.053 ( -10.059 3.833 2.690) 11.095 11.831 ( 10.061 2.236 -4.706) 11.330 12.218 ( -0.813 -3.186 -4.842) 5.853 13.316 ( 19.426 1.880 3.275) 19.790 13.609 ( -9.779 0.443 -0.017) 9.789 14.067 ( 9.802 3.787 0.740) 10.534 15.255 ( -16.311 -0.394 0.852) 16.338 16.766 ( -2.055 -4.140 2.189) 5.114 17.477 ( 2.310 5.007 -0.497) 5.537 17.657 ( 11.852 -1.756 -2.343) 12.208 18.643 ( -7.040 -0.474 -0.122) 7.057 19.598 ( 2.188 -13.731 -18.021) 22.761 19.882 ( -1.005 12.827 11.986) 17.584 20.277 ( 1.560 -4.157 1.878) 4.821 20.956 ( -1.937 -0.860 -0.272) 2.137 21.003 ( -0.164 0.810 1.406) 1.631 21.570 ( 0.901 5.478 2.477) 6.079 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( -16.969 -7.699 -1.242) 18.676 4.069 ( -12.363 -23.701 -10.123) 28.584 4.816 ( 3.538 14.584 3.283) 15.362 6.975 ( 10.612 -30.698 -4.656) 32.813 7.746 ( 16.898 10.640 -4.846) 20.549 7.921 ( 3.535 12.325 -2.600) 13.083 8.279 ( 8.174 8.536 -5.417) 13.001 8.483 ( 1.372 2.675 4.713) 5.590 8.642 ( -4.704 -8.528 5.113) 11.000 8.960 ( 0.341 5.431 3.553) 6.499 9.697 ( -10.878 -13.414 -4.818) 17.929 9.777 ( -2.263 6.078 8.939) 11.044 10.718 ( -20.869 10.826 5.193) 24.077 11.031 ( -0.405 5.225 3.194) 6.137 11.993 ( 11.195 -2.971 -4.992) 12.613 12.151 ( -0.167 -1.416 -2.807) 3.148 13.402 ( -10.255 -1.511 -5.239) 11.614 13.622 ( 11.307 -3.087 5.798) 13.076 14.330 ( 12.664 7.802 0.516) 14.884 14.964 ( -17.633 0.648 2.466) 17.817 16.680 ( -0.204 -11.172 2.088) 11.367 17.555 ( 0.803 5.733 1.219) 5.916 17.885 ( 16.221 -1.621 -1.900) 16.412 18.453 ( -13.648 -0.089 -2.342) 13.848 19.333 ( -0.684 -18.205 -15.625) 24.001 20.062 ( -0.074 15.363 4.352) 15.968 20.340 ( 5.588 -3.934 6.921) 9.726 20.916 ( -1.158 -1.254 0.147) 1.713 21.034 ( 1.125 1.484 2.651) 3.239 21.635 ( -2.588 7.109 1.838) 7.786 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 0.076 -12.140 -4.456) 12.933 3.583 ( -4.691 -26.563 -10.966) 29.118 5.032 ( 2.732 14.793 0.998) 15.077 6.744 ( 4.079 -36.729 -3.389) 37.110 7.895 ( 3.009 2.504 -4.008) 5.602 8.179 ( 0.822 3.639 3.460) 5.088 8.270 ( -8.363 -8.610 2.421) 12.245 8.575 ( 5.230 12.824 1.911) 13.981 8.684 ( 7.540 8.884 -1.141) 11.709 8.790 ( -14.103 6.454 -9.388) 18.129 9.580 ( 1.114 -1.437 -4.401) 4.761 9.971 ( 8.882 3.033 14.599) 17.356 10.556 ( -12.795 15.589 2.655) 20.342 11.146 ( 1.602 8.918 5.392) 10.544 12.036 ( 2.909 -6.244 -2.504) 7.329 12.211 ( 8.412 -1.492 -0.684) 8.570 13.154 ( -11.040 -3.506 -6.795) 13.429 13.723 ( 3.322 -6.934 3.411) 8.411 14.594 ( -3.263 11.775 1.855) 12.359 14.763 ( 1.564 -0.390 2.597) 3.056 16.575 ( 1.988 -14.265 1.176) 14.451 17.639 ( -0.365 7.439 3.243) 8.124 18.112 ( 11.678 -6.966 0.805) 13.622 18.170 ( -11.692 -1.536 -5.056) 12.830 19.068 ( -0.536 -15.186 -13.776) 20.510 20.212 ( 0.105 11.624 -2.314) 11.853 20.458 ( 5.052 -0.537 11.007) 12.123 20.897 ( 0.008 -0.970 0.591) 1.136 21.105 ( 3.054 1.654 4.263) 5.499 21.634 ( -7.093 7.722 0.634) 10.504 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 0.510 -28.376 -15.143) 32.167 3.469 ( 20.026 -16.359 -2.587) 25.988 5.204 ( 0.989 12.444 -0.946) 12.519 6.343 ( -2.167 -42.024 -2.030) 42.129 7.844 ( -9.224 -4.072 1.947) 10.269 8.008 ( -1.881 -0.340 -1.157) 2.234 8.219 ( -6.546 1.348 2.355) 7.086 8.580 ( -13.331 11.724 -2.482) 17.926 8.782 ( 2.375 4.849 1.085) 5.507 9.026 ( 12.444 20.333 -4.144) 24.196 9.576 ( 6.625 -4.178 -8.876) 11.838 10.163 ( -1.459 8.534 12.627) 15.310 10.689 ( 7.596 15.051 -1.087) 16.894 11.282 ( -0.989 8.145 6.101) 10.225 11.990 ( 0.044 -7.481 1.556) 7.641 12.319 ( 4.184 -3.677 2.883) 6.272 12.895 ( -7.319 -4.170 -9.948) 13.035 13.676 ( 0.032 -8.647 2.517) 9.006 14.472 ( -15.063 8.216 5.289) 17.955 15.031 ( 15.896 4.443 -0.369) 16.509 16.483 ( 3.914 -15.410 0.325) 15.903 17.704 ( -5.250 4.918 6.788) 9.891 17.893 ( -8.469 0.012 -3.391) 9.123 18.273 ( 13.066 -11.841 -1.151) 17.671 18.847 ( -2.083 -9.179 -12.724) 15.826 20.260 ( -1.317 2.683 -0.199) 2.995 20.624 ( 3.873 6.822 4.884) 9.240 20.912 ( 1.856 0.349 1.464) 2.389 21.218 ( 4.581 0.790 6.255) 7.793 21.554 ( -10.796 7.659 0.027) 13.237 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 8.212 -29.675 -14.454) 34.014 3.690 ( 24.887 -23.175 -2.380) 34.089 5.279 ( -3.640 7.298 -1.747) 8.341 5.916 ( 3.446 -35.143 -1.529) 35.345 7.729 ( -5.584 4.875 5.637) 9.313 7.981 ( -1.306 -1.880 -6.552) 6.940 8.106 ( -9.895 4.021 7.711) 13.173 8.497 ( -7.401 12.048 -4.406) 14.810 8.809 ( -5.419 3.348 3.228) 7.141 9.365 ( 7.220 15.380 -3.982) 17.451 9.609 ( 8.471 -4.179 -10.890) 14.416 10.352 ( 5.278 12.099 9.258) 16.123 10.983 ( 10.601 12.659 -5.189) 17.308 11.298 ( -7.840 2.362 4.205) 9.204 11.891 ( -5.025 -10.079 6.725) 13.117 12.249 ( -6.484 -3.467 -3.000) 7.941 12.774 ( 1.242 -4.084 -1.141) 4.419 13.648 ( 5.287 -5.335 0.390) 7.521 14.363 ( -10.445 8.362 5.133) 14.331 15.303 ( 10.193 3.362 -0.648) 10.753 16.412 ( 6.620 -16.257 -0.114) 17.554 17.593 ( -6.590 -3.256 2.903) 7.903 17.895 ( -1.489 9.631 2.931) 10.177 18.318 ( 8.226 -15.011 -1.164) 17.157 18.665 ( -3.231 -3.761 -11.432) 12.461 20.242 ( -2.228 -1.040 3.481) 4.262 20.744 ( 1.853 5.395 -2.077) 6.070 20.990 ( 2.970 3.906 1.355) 5.091 21.302 ( 0.493 -1.188 -1.159) 1.731 21.473 ( -7.395 8.598 8.815) 14.364 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 18.843 -26.103 -10.137) 33.752 3.707 ( 11.162 -34.129 -2.187) 35.975 5.210 ( -8.806 4.282 -0.161) 9.793 5.868 ( 22.538 -18.684 -1.540) 29.316 7.753 ( -9.338 7.979 5.683) 13.533 7.880 ( 2.440 -0.003 -1.902) 3.093 8.103 ( -5.176 10.304 4.873) 12.519 8.502 ( -1.056 7.861 -4.271) 9.009 8.716 ( -9.700 0.666 4.551) 10.735 9.439 ( 3.548 -6.990 -14.054) 16.092 9.716 ( 4.109 9.939 -2.705) 11.090 10.684 ( 11.414 13.584 8.028) 19.474 10.992 ( -16.432 -2.501 -8.238) 18.550 11.318 ( 7.937 10.038 1.203) 12.853 11.683 ( -9.615 -11.048 3.306) 15.014 12.119 ( -3.733 0.704 -3.357) 5.069 12.757 ( 0.195 -7.448 7.738) 10.742 13.759 ( 10.054 -1.190 -1.293) 10.206 14.346 ( -4.481 9.776 3.419) 11.285 15.394 ( -1.607 -0.990 -0.295) 1.911 16.416 ( 12.902 -15.148 -0.459) 19.903 17.527 ( 0.175 -0.923 1.779) 2.012 17.990 ( -2.720 10.463 6.011) 12.369 18.251 ( 2.036 -12.617 -1.932) 12.925 18.519 ( -3.162 -3.697 -9.122) 10.338 20.212 ( -2.878 -1.390 5.262) 6.157 20.793 ( 2.159 2.615 -4.513) 5.645 21.046 ( -1.893 1.292 0.581) 2.365 21.257 ( 0.590 2.945 -7.012) 7.628 21.550 ( -3.536 6.969 13.379) 15.494 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 35.035 -12.739 -0.410) 37.281 3.413 ( 25.517 8.013 0.795) 26.757 5.101 ( -13.909 7.472 4.745) 16.487 6.237 ( 29.967 -22.547 3.402) 37.656 7.738 ( -1.656 3.043 4.708) 5.846 8.036 ( -9.985 -7.275 -1.718) 12.473 8.308 ( -4.485 -2.246 1.579) 5.258 8.528 ( -8.279 -2.974 -3.448) 9.449 8.897 ( -6.892 18.563 2.702) 19.985 8.991 ( 15.498 3.771 -2.715) 16.179 9.347 ( -6.872 -8.049 -3.591) 11.176 10.624 ( -8.161 -4.445 -12.484) 15.563 10.699 ( -7.148 10.996 -0.901) 13.146 11.426 ( -1.782 1.228 -1.587) 2.684 11.991 ( 4.914 2.382 2.620) 6.057 12.408 ( 5.005 8.406 -1.846) 9.956 12.506 ( -4.081 -7.723 11.194) 14.198 13.759 ( 6.672 -6.724 -2.710) 9.852 14.630 ( -16.736 -5.939 -2.558) 17.942 15.050 ( 6.197 12.381 -1.752) 13.956 16.529 ( 17.062 -6.555 -1.591) 18.347 17.653 ( -2.089 -8.919 8.599) 12.564 18.000 ( -13.770 4.520 -9.332) 17.237 18.272 ( 15.873 7.409 -1.181) 17.557 18.390 ( 3.631 -3.890 12.072) 13.193 20.184 ( -6.689 3.009 3.403) 8.086 20.775 ( 2.477 -2.646 -4.040) 5.428 20.948 ( -0.292 1.267 0.047) 1.301 21.265 ( -1.174 -4.801 3.976) 6.343 21.702 ( -9.589 6.598 -6.457) 13.311 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 32.974 -7.164 -0.276) 33.745 4.028 ( 27.648 18.415 0.343) 33.221 4.981 ( -12.322 8.629 5.554) 16.036 6.454 ( 19.929 -23.431 4.361) 31.067 7.580 ( -20.377 -4.794 2.489) 21.081 7.891 ( -1.492 -2.983 1.402) 3.618 8.178 ( -7.567 -2.977 -2.566) 8.527 8.284 ( -6.975 -5.663 -0.788) 9.019 8.846 ( -13.611 14.372 3.155) 20.044 9.044 ( -2.346 -3.171 -11.075) 11.756 9.714 ( 35.727 3.879 7.388) 36.689 10.315 ( -13.233 5.745 -9.014) 17.011 10.809 ( 3.042 9.082 -2.251) 9.839 11.371 ( -1.232 -2.492 -4.437) 5.236 12.052 ( -1.670 0.090 5.690) 5.931 12.218 ( -7.294 -17.713 1.006) 19.182 12.702 ( 3.180 14.372 2.892) 15.001 13.794 ( 4.899 -4.256 -1.247) 6.609 14.281 ( -14.191 -5.164 -3.350) 15.468 15.273 ( 6.508 10.825 -0.770) 12.654 16.738 ( 13.195 -1.908 -2.623) 13.587 17.553 ( -4.901 -7.926 7.062) 11.692 17.765 ( -12.349 4.501 -7.375) 15.071 18.457 ( 3.614 -2.172 10.466) 11.283 18.676 ( 21.573 0.600 1.067) 21.608 20.100 ( -9.478 5.488 1.848) 11.108 20.745 ( 0.383 -4.611 -3.265) 5.663 20.975 ( 0.963 2.491 -0.321) 2.690 21.201 ( -3.062 -6.069 5.947) 9.032 21.557 ( -8.130 5.728 -9.370) 13.664 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.630 ( 28.763 -1.647 0.340) 28.812 4.570 ( 9.653 7.626 0.910) 12.336 4.984 ( 2.757 14.618 2.132) 15.028 6.536 ( 12.760 -19.541 2.783) 23.503 7.128 ( -22.317 -10.062 3.014) 24.665 7.752 ( -8.441 -1.050 -0.542) 8.524 8.104 ( -0.352 0.672 -1.380) 1.575 8.192 ( 1.184 -3.564 -0.675) 3.816 8.715 ( -10.642 1.309 -1.207) 10.790 8.952 ( -5.786 6.569 -1.137) 8.828 10.076 ( -2.749 5.420 -7.137) 9.374 10.521 ( 25.684 13.403 3.860) 29.227 10.921 ( 3.120 2.468 1.837) 4.382 11.304 ( 3.358 -7.776 -4.473) 9.579 11.869 ( -11.591 -12.708 3.372) 17.527 12.053 ( -2.853 -2.050 1.530) 3.832 12.853 ( -0.038 9.373 -0.409) 9.382 13.823 ( 2.141 -1.703 -0.054) 2.736 14.024 ( -9.381 -1.359 -2.266) 9.746 15.462 ( 5.558 5.530 -0.135) 7.841 16.903 ( 5.987 4.943 -3.769) 8.630 17.410 ( -5.152 -10.265 5.666) 12.807 17.599 ( -7.977 5.040 -4.401) 10.411 18.559 ( 6.061 -6.034 8.812) 12.280 19.037 ( 20.224 -1.537 -1.992) 20.380 20.008 ( -9.706 7.860 2.769) 12.793 20.644 ( -4.275 -5.974 -2.688) 7.822 21.008 ( 0.399 1.584 -1.051) 1.942 21.122 ( -4.093 -1.941 3.047) 5.459 21.460 ( -2.609 3.713 -5.237) 6.930 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.087 ( 23.330 1.071 0.153) 23.355 4.500 ( -11.881 -4.548 -0.127) 12.722 5.206 ( -1.092 0.836 -0.013) 1.375 6.627 ( 4.844 9.790 1.120) 10.980 6.738 ( 0.044 -22.654 -2.015) 22.743 7.714 ( 0.271 4.174 5.627) 7.011 8.049 ( -2.583 2.838 -8.865) 9.660 8.252 ( 7.947 -5.170 2.883) 9.910 8.577 ( -5.139 2.756 -0.150) 5.833 8.922 ( -7.453 8.230 1.898) 11.264 10.047 ( -6.051 10.067 -0.804) 11.774 10.769 ( -6.870 -5.950 -0.100) 9.089 11.007 ( 5.110 -5.802 1.105) 7.810 11.333 ( 3.725 -1.237 0.119) 3.927 11.721 ( 2.201 6.537 -1.956) 7.170 11.984 ( 2.303 -8.930 0.922) 9.268 12.915 ( 1.089 4.038 0.390) 4.201 13.829 ( -1.295 0.862 -0.240) 1.574 13.915 ( -2.900 2.960 -0.040) 4.144 15.546 ( 0.402 0.015 0.003) 0.402 16.960 ( -6.672 6.408 -0.191) 9.253 17.292 ( 4.529 -10.846 0.653) 11.772 17.543 ( -3.385 6.118 -0.919) 7.053 18.634 ( 5.485 -6.940 3.761) 9.612 19.287 ( 15.268 -6.212 -7.556) 18.133 19.982 ( -5.712 8.622 7.468) 12.757 20.455 ( -8.787 -4.220 -2.742) 10.126 21.004 ( -0.498 -0.552 -0.575) 0.940 21.061 ( -3.502 0.947 -0.135) 3.630 21.492 ( 2.619 4.688 0.301) 5.379 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.104 ( -12.148 -18.575 -8.792) 23.873 4.459 ( 6.243 4.330 2.423) 7.974 4.909 ( -19.766 -7.897 2.515) 21.433 6.517 ( 8.556 -26.365 -3.668) 27.960 7.081 ( 19.264 24.251 -3.444) 31.162 7.810 ( 2.322 -0.183 3.645) 4.326 8.059 ( 3.658 10.164 -7.642) 13.232 8.363 ( 7.459 -3.529 2.702) 8.683 8.631 ( 4.694 6.614 4.934) 9.493 8.864 ( -8.214 4.636 3.402) 10.026 10.052 ( -8.155 11.465 6.493) 15.495 10.362 ( -18.500 -21.398 -3.841) 28.546 11.010 ( -0.432 1.981 -1.743) 2.674 11.315 ( -5.597 3.978 -0.460) 6.882 11.767 ( -3.538 2.006 0.789) 4.143 12.075 ( 10.856 -2.693 -4.965) 12.237 13.043 ( 12.367 -2.236 3.438) 13.030 13.762 ( -6.817 0.357 0.122) 6.827 14.001 ( 5.061 8.425 0.708) 9.854 15.472 ( -7.817 -1.303 0.148) 7.926 16.804 ( -9.217 -8.216 4.126) 13.018 17.377 ( 10.649 -1.450 -2.261) 10.983 17.581 ( -0.313 7.484 0.817) 7.535 18.648 ( 2.329 -5.248 -1.285) 5.884 19.311 ( 4.805 -12.467 -13.506) 18.998 20.072 ( 0.806 5.708 11.514) 12.877 20.283 ( -6.718 1.681 -1.341) 7.054 20.975 ( -1.559 -1.408 -0.313) 2.124 21.028 ( -1.203 0.882 0.614) 1.613 21.618 ( 3.292 7.519 2.129) 8.480 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( -15.437 -21.601 -10.592) 28.585 4.119 ( -24.173 -20.236 -3.408) 31.708 4.907 ( 4.717 12.165 4.173) 13.699 6.394 ( 12.484 -32.546 -3.775) 35.062 7.612 ( 13.871 20.611 -3.104) 25.037 7.878 ( 7.695 3.411 -2.743) 8.853 8.227 ( 5.502 10.724 -4.414) 12.836 8.453 ( 4.701 -1.842 0.682) 5.094 8.715 ( -6.332 -1.186 4.083) 7.627 8.980 ( 10.191 10.174 12.747) 19.232 9.768 ( -18.409 -16.958 -10.144) 27.006 10.058 ( -11.763 13.030 7.966) 19.277 11.039 ( 0.955 4.883 -0.625) 5.015 11.225 ( -12.852 9.038 3.564) 16.111 11.762 ( 5.665 -4.679 -2.734) 7.840 12.113 ( 0.351 -1.514 -3.531) 3.858 13.275 ( 14.322 -5.528 -1.568) 15.432 13.626 ( -7.667 -2.051 3.919) 8.852 14.229 ( 9.100 10.808 0.089) 14.129 15.281 ( -14.135 1.322 1.711) 14.299 16.582 ( -4.294 -16.444 4.072) 17.476 17.542 ( 9.463 -1.857 1.554) 9.768 17.690 ( 3.709 8.345 -0.322) 9.138 18.588 ( -4.071 -2.504 -3.258) 5.784 19.081 ( -1.929 -16.757 -15.736) 23.068 20.231 ( 6.753 -2.896 8.128) 10.957 20.254 ( -3.704 11.318 3.349) 12.371 20.930 ( -1.635 -1.560 0.550) 2.326 21.039 ( 0.695 0.896 1.169) 1.629 21.755 ( 0.606 9.591 2.122) 9.842 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( -8.968 -24.418 -13.768) 29.432 3.482 ( -18.858 -23.386 -4.205) 30.335 5.126 ( 3.536 12.707 1.736) 13.303 6.208 ( 8.782 -40.713 -1.579) 41.680 7.817 ( 4.400 3.164 -3.868) 6.658 8.169 ( 8.423 9.868 -0.277) 12.977 8.313 ( -1.697 -4.635 4.174) 6.464 8.549 ( 7.278 10.539 -6.344) 14.293 8.653 ( 0.638 0.065 2.705) 2.780 9.067 ( -13.093 3.518 -4.666) 14.338 9.598 ( 5.992 11.439 -2.597) 13.172 10.022 ( -7.013 6.561 11.607) 15.065 11.039 ( -15.914 14.458 2.843) 21.688 11.223 ( 2.598 9.555 4.073) 10.707 11.817 ( 9.545 -8.052 -4.266) 13.196 12.082 ( 2.180 -3.946 -0.766) 4.573 13.250 ( -6.730 -4.661 -9.032) 12.190 13.600 ( 4.022 -7.268 7.944) 11.494 14.510 ( 11.990 9.220 -0.882) 15.151 15.058 ( -16.720 4.767 4.445) 17.946 16.390 ( 0.466 -19.215 2.865) 19.433 17.678 ( 6.746 -2.370 5.684) 9.134 17.852 ( 7.341 4.576 -1.770) 8.830 18.378 ( -14.179 -4.535 -3.679) 15.335 18.831 ( 1.856 -12.554 -14.117) 18.983 20.277 ( 0.781 0.916 1.066) 1.608 20.437 ( 5.245 6.519 8.849) 12.178 20.900 ( -0.837 -1.214 1.347) 1.997 21.084 ( 2.552 0.918 1.858) 3.287 21.837 ( -4.143 10.361 1.212) 11.224 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -4.450 -30.027 -19.542) 36.101 3.070 ( 1.721 -21.940 -1.982) 22.096 5.292 ( 1.691 9.975 -0.904) 10.158 5.847 ( 3.232 -50.655 0.892) 50.765 7.873 ( 2.151 1.521 -4.683) 5.373 8.073 ( -9.224 -8.788 8.383) 15.251 8.337 ( -3.432 4.857 -0.063) 5.948 8.729 ( 8.236 5.499 -5.336) 11.249 8.777 ( 2.073 6.897 -8.616) 11.230 9.051 ( 4.625 20.641 -0.411) 21.157 9.614 ( -12.855 10.352 -4.036) 16.991 10.227 ( 10.138 5.945 12.081) 16.854 10.940 ( -13.521 18.302 1.669) 22.816 11.411 ( 1.587 10.820 4.074) 11.670 11.853 ( 6.471 -9.500 -1.586) 11.604 12.140 ( 10.076 -5.440 1.726) 11.581 12.969 ( -12.113 -5.765 -8.539) 15.902 13.593 ( 0.766 -10.041 3.961) 10.821 14.793 ( 7.569 1.072 1.758) 7.844 14.881 ( -9.536 12.536 3.257) 16.084 16.250 ( 3.564 -18.765 1.278) 19.143 17.800 ( 6.166 -4.745 8.401) 11.450 17.989 ( 5.008 0.898 -4.166) 6.576 18.030 ( -13.089 -6.161 -1.934) 14.596 18.710 ( 1.389 -5.322 -10.016) 11.426 20.288 ( -0.325 -1.592 2.450) 2.939 20.638 ( 4.914 7.366 2.979) 9.342 20.903 ( 0.997 0.295 2.601) 2.801 21.169 ( 4.570 0.398 3.497) 5.768 21.826 ( -9.172 9.812 0.491) 13.441 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 2.264 -30.969 -19.066) 36.438 3.033 ( 19.716 -25.143 -3.635) 32.158 5.244 ( 3.408 -35.995 -4.093) 36.387 5.515 ( 1.677 -10.746 3.648) 11.472 7.865 ( -2.381 1.732 0.424) 2.975 7.957 ( -2.885 -0.764 2.345) 3.795 8.304 ( -4.789 3.618 3.349) 6.873 8.734 ( -8.005 9.548 -6.775) 14.182 8.900 ( 4.208 5.788 -2.993) 7.757 9.352 ( 1.116 12.723 -4.206) 13.447 9.526 ( 0.881 13.410 -4.871) 14.295 10.468 ( 3.496 7.417 8.666) 11.930 11.000 ( -0.340 16.366 -2.071) 16.500 11.474 ( -5.917 5.078 1.653) 7.971 11.836 ( 2.567 -10.484 2.878) 11.171 12.270 ( 2.764 -5.014 5.658) 8.050 12.696 ( -3.243 -4.422 -8.067) 9.755 13.517 ( 1.788 -9.243 1.439) 9.523 14.680 ( -13.444 4.903 6.601) 15.760 15.140 ( 13.426 7.367 -1.563) 15.394 16.142 ( 4.510 -18.212 -0.160) 18.763 17.687 ( -9.246 -8.162 -1.191) 12.390 17.941 ( 8.107 -7.222 5.377) 12.116 18.087 ( 1.991 3.581 0.743) 4.164 18.633 ( -1.527 -0.488 -6.801) 6.987 20.270 ( -0.865 -3.378 4.019) 5.321 20.749 ( 1.369 3.948 -2.474) 4.857 20.988 ( 3.508 5.393 1.410) 6.586 21.267 ( 3.169 -0.454 2.619) 4.136 21.750 ( -9.860 8.447 3.794) 13.526 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 14.219 -27.713 -13.688) 34.023 3.077 ( 19.131 -33.638 -4.411) 38.948 4.992 ( 20.696 -39.970 -1.806) 45.046 5.529 ( -1.032 2.573 1.737) 3.272 7.839 ( -1.223 -0.791 -4.668) 4.890 7.972 ( -1.180 5.718 10.276) 11.819 8.303 ( -4.453 6.069 6.574) 9.994 8.627 ( -9.626 9.204 -6.148) 14.669 8.912 ( -5.915 2.564 -3.501) 7.336 9.314 ( -3.813 5.301 -13.146) 14.679 9.776 ( 4.705 15.680 0.217) 16.372 10.692 ( 8.830 10.022 7.105) 15.129 11.090 ( -3.792 3.784 -10.008) 11.351 11.398 ( -4.618 5.118 3.832) 7.887 11.738 ( -5.206 -12.363 6.413) 14.868 12.161 ( -5.512 -0.944 -2.954) 6.324 12.697 ( 3.981 -5.389 4.055) 7.831 13.547 ( 9.628 -4.322 -1.265) 10.629 14.570 ( -8.813 6.574 4.469) 11.868 15.382 ( 5.924 5.083 -0.561) 7.826 16.047 ( 8.135 -19.282 -1.231) 20.964 17.519 ( -1.958 -4.156 -0.317) 4.605 18.007 ( 8.124 -12.738 0.554) 15.118 18.163 ( -1.353 7.065 6.482) 9.683 18.558 ( -5.212 3.600 -5.185) 8.186 20.249 ( -0.586 -3.489 5.308) 6.379 20.769 ( 0.473 1.613 -3.530) 3.910 21.093 ( 0.484 4.639 0.074) 4.665 21.251 ( -2.349 0.868 -6.127) 6.619 21.760 ( -3.707 7.315 11.065) 13.772 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 34.805 -12.185 4.938) 37.205 2.971 ( 33.244 2.567 3.265) 33.503 5.195 ( 30.279 -13.369 1.378) 33.127 5.539 ( 8.346 -4.889 1.243) 9.752 7.793 ( -0.231 1.301 4.064) 4.273 8.111 ( -7.549 -4.523 -10.155) 13.438 8.350 ( -3.141 0.834 -2.222) 3.937 8.625 ( -9.225 -1.071 4.517) 10.327 8.796 ( 7.853 6.973 9.002) 13.832 9.331 ( -14.354 2.904 -0.693) 14.662 9.499 ( -17.181 5.528 -2.848) 18.271 10.614 ( -0.760 4.360 -7.967) 9.114 10.979 ( -12.621 3.321 0.686) 13.069 11.469 ( -3.950 -2.274 1.914) 4.943 11.872 ( 10.918 1.315 -0.916) 11.035 12.348 ( -1.037 -7.853 -2.080) 8.189 12.567 ( 4.032 6.584 5.546) 9.506 13.545 ( 8.621 -5.451 -1.935) 10.382 14.790 ( -12.416 -10.319 -5.544) 17.070 15.115 ( 1.957 16.055 1.125) 16.213 16.140 ( 18.881 -6.678 0.305) 20.029 17.606 ( 2.112 -8.575 6.430) 10.925 17.991 ( 16.200 1.701 -1.067) 16.324 18.193 ( -7.986 3.531 -8.720) 12.340 18.502 ( -7.845 1.356 7.424) 10.886 20.293 ( -0.625 0.472 1.913) 2.067 20.726 ( -0.282 0.094 -0.334) 0.447 20.994 ( -2.659 3.289 0.810) 4.306 21.263 ( -0.947 -2.958 2.652) 4.084 21.860 ( -8.093 2.469 -7.716) 11.451 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 35.780 -6.467 3.957) 36.575 3.647 ( 34.244 9.625 2.383) 35.650 5.243 ( -8.108 1.485 2.349) 8.571 5.874 ( 28.276 -13.912 3.156) 31.671 7.817 ( -5.756 1.404 -1.261) 6.058 7.897 ( -5.137 -3.709 -0.234) 6.340 8.240 ( -7.909 -4.355 -7.107) 11.490 8.413 ( -10.745 -2.216 4.546) 11.875 8.926 ( -1.061 -4.101 -9.872) 10.742 9.238 ( 2.831 5.846 10.245) 12.131 9.433 ( -2.707 11.916 8.414) 14.837 10.524 ( -9.207 8.096 -9.787) 15.688 10.914 ( -3.833 9.394 2.674) 10.493 11.356 ( -4.236 -5.704 -2.302) 7.469 12.001 ( 6.800 -4.871 -5.168) 9.832 12.163 ( -5.063 -13.571 6.169) 15.744 12.769 ( 4.968 9.104 -0.353) 10.377 13.651 ( 7.400 -0.415 -0.142) 7.413 14.449 ( -13.404 -5.816 -4.455) 15.276 15.296 ( 2.762 10.462 0.178) 10.822 16.416 ( 18.723 -3.237 -0.297) 19.003 17.575 ( -0.812 -5.815 4.076) 7.147 17.994 ( -12.805 4.565 -7.594) 15.571 18.307 ( 18.066 -2.256 0.779) 18.222 18.476 ( 0.128 -1.360 8.860) 8.965 20.271 ( -3.705 1.349 0.365) 3.960 20.716 ( -1.241 0.016 0.777) 1.464 21.003 ( -1.128 4.047 0.042) 4.201 21.219 ( -1.965 -5.280 6.024) 8.248 21.681 ( -8.271 2.627 -12.145) 14.927 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 34.178 -1.721 2.673) 34.326 4.295 ( 29.318 3.237 1.117) 29.518 5.104 ( -8.121 -2.562 1.089) 8.585 6.172 ( 15.969 -4.321 3.933) 17.004 7.496 ( -22.361 -3.018 -0.779) 22.577 7.893 ( -6.018 0.467 1.635) 6.254 7.998 ( 0.024 -7.675 -2.501) 8.072 8.295 ( -8.642 4.744 -1.485) 9.970 8.762 ( -4.057 -5.857 -5.984) 9.304 9.285 ( -11.379 15.201 3.902) 19.385 9.822 ( 25.237 -0.534 5.912) 25.925 10.484 ( -0.778 16.403 -3.227) 16.736 10.965 ( -2.432 -0.130 5.860) 6.346 11.204 ( -2.974 -3.828 -4.700) 6.752 11.873 ( -3.158 -14.733 -2.003) 15.200 12.085 ( -2.191 -2.315 3.093) 4.442 12.885 ( 3.113 2.980 -3.815) 5.755 13.774 ( 4.096 3.663 0.853) 5.560 14.180 ( -10.949 -0.635 -3.137) 11.408 15.420 ( 3.814 2.863 0.131) 4.771 16.705 ( 16.007 1.528 -1.519) 16.151 17.498 ( -6.072 -3.647 3.487) 7.895 17.787 ( -11.221 4.658 -4.932) 13.112 18.436 ( 4.775 -9.534 7.972) 13.314 18.684 ( 17.157 -0.580 -0.266) 17.169 20.204 ( -5.227 0.930 0.123) 5.311 20.687 ( -4.178 1.429 2.000) 4.847 21.018 ( -0.592 1.768 -1.155) 2.193 21.177 ( -2.411 -2.061 5.446) 6.302 21.512 ( -4.994 2.101 -10.881) 12.155 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.615 ( 29.035 -0.153 0.557) 29.041 4.594 ( 2.709 -6.025 0.785) 6.652 4.967 ( 6.803 -18.884 -1.847) 20.157 6.467 ( 12.835 12.856 1.574) 18.234 7.028 ( -27.580 -3.187 2.806) 27.905 7.804 ( -2.121 4.568 2.531) 5.636 8.030 ( 4.804 -5.705 0.868) 7.509 8.163 ( -6.243 3.981 -7.142) 10.287 8.650 ( -2.629 0.971 -2.277) 3.611 9.244 ( -11.998 12.885 2.539) 17.788 10.123 ( 7.758 3.932 -1.166) 8.775 10.778 ( -6.386 -17.511 1.424) 18.693 10.822 ( 15.615 6.498 3.108) 17.196 11.228 ( 3.085 7.565 1.813) 8.368 11.699 ( -1.570 -5.851 -0.950) 6.132 11.998 ( -4.888 -4.154 0.396) 6.427 12.906 ( 1.524 -1.610 -3.897) 4.483 13.859 ( 0.128 5.030 0.207) 5.036 14.038 ( -6.107 4.597 -1.038) 7.714 15.484 ( 3.874 -3.579 -0.044) 5.274 16.969 ( 12.217 4.648 -2.632) 13.333 17.304 ( -13.884 -5.692 4.684) 15.719 17.678 ( -5.229 6.515 -2.007) 8.592 18.465 ( 5.750 -9.368 3.526) 11.543 18.931 ( 15.160 -5.969 -2.725) 16.519 20.128 ( -3.482 -0.866 1.036) 3.734 20.617 ( -9.201 5.017 2.962) 10.890 21.004 ( -0.674 -0.704 -0.720) 1.212 21.131 ( -4.183 0.759 -0.946) 4.355 21.478 ( 3.071 3.384 -2.808) 5.363 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.900 ( 6.170 -14.462 -8.377) 17.816 4.480 ( -2.006 -0.911 1.825) 2.861 4.857 ( 6.748 -28.511 1.122) 29.321 6.449 ( -21.531 -6.936 -0.466) 22.625 7.018 ( 15.868 25.173 0.624) 29.763 7.848 ( -4.357 0.448 4.131) 6.020 8.068 ( 6.139 10.962 -5.280) 13.628 8.176 ( 6.486 -3.194 0.614) 7.256 8.665 ( 1.129 6.369 -0.106) 6.469 9.149 ( -12.685 8.330 2.073) 15.316 10.227 ( -1.408 -7.687 7.629) 10.921 10.413 ( -9.424 -8.729 -6.806) 14.537 11.027 ( 1.051 5.410 -4.353) 7.023 11.340 ( 0.612 0.596 2.019) 2.192 11.763 ( 7.573 -8.127 -0.243) 11.111 11.935 ( 2.101 9.429 2.518) 9.983 12.883 ( 3.433 -6.595 -0.405) 7.446 13.859 ( -4.377 1.974 -1.218) 4.954 14.065 ( 0.304 11.132 0.806) 11.165 15.481 ( 1.667 -6.172 -0.401) 6.406 16.983 ( -16.485 -10.355 4.876) 20.069 17.187 ( 9.212 4.642 -1.912) 10.491 17.696 ( -1.857 8.275 1.854) 8.681 18.488 ( 6.068 -7.044 -2.778) 9.703 19.023 ( 7.912 -11.990 -6.116) 15.613 20.093 ( 0.674 -2.331 2.015) 3.154 20.526 ( -11.120 8.934 4.582) 14.982 20.978 ( -0.858 -1.155 -0.677) 1.590 21.066 ( -2.448 0.196 -0.814) 2.587 21.615 ( 6.461 6.556 0.706) 9.232 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( -12.987 -26.576 -15.158) 33.237 4.258 ( -14.343 -27.582 -0.033) 31.089 4.905 ( 10.267 5.478 5.115) 12.711 6.059 ( -9.070 -16.179 -0.950) 18.572 7.588 ( 17.937 26.786 -2.000) 32.299 7.787 ( -1.089 -1.574 0.097) 1.917 8.222 ( 3.052 2.058 -0.656) 3.739 8.342 ( 8.418 8.879 -2.661) 12.521 8.815 ( 2.950 6.593 4.247) 8.379 9.040 ( -4.378 2.816 7.656) 9.258 9.817 ( -14.247 -19.817 -10.366) 26.517 10.429 ( -5.844 15.026 6.337) 17.323 11.019 ( -0.333 1.713 -5.704) 5.965 11.369 ( 1.785 2.594 -0.615) 3.208 11.709 ( -1.570 -6.163 4.195) 7.619 12.116 ( -0.197 7.270 -2.125) 7.577 12.952 ( 13.623 -9.237 2.461) 16.643 13.748 ( -7.445 -1.461 -0.835) 7.633 14.243 ( 4.199 13.990 0.495) 14.615 15.422 ( -2.148 -4.007 -0.100) 4.547 16.612 ( -14.581 -15.093 5.408) 21.672 17.358 ( 8.320 0.284 0.410) 8.335 17.784 ( -0.417 9.300 3.900) 10.093 18.505 ( 5.193 -3.397 -6.694) 9.128 18.884 ( -1.715 -16.061 -9.676) 18.829 20.135 ( 4.614 -2.289 3.639) 6.307 20.487 ( -7.488 9.698 5.970) 13.629 20.942 ( -1.287 -1.670 0.282) 2.127 21.048 ( -0.323 0.895 0.243) 0.982 21.805 ( 5.528 8.594 0.922) 10.260 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -12.531 -29.698 -18.736) 37.283 3.613 ( -23.564 -30.180 0.221) 38.291 5.170 ( 6.510 10.323 2.511) 12.460 5.747 ( -1.799 -31.429 0.690) 31.488 7.781 ( 1.341 1.737 -1.874) 2.886 8.102 ( 13.124 15.704 1.009) 20.491 8.273 ( 4.704 -0.850 0.361) 4.794 8.514 ( 3.859 12.106 -7.677) 14.845 8.724 ( -9.568 -6.958 5.408) 13.008 9.212 ( -1.013 1.370 1.071) 2.012 9.540 ( 7.319 11.433 -8.368) 15.947 10.434 ( -16.243 12.627 10.257) 22.989 11.064 ( 9.300 0.198 -4.831) 10.482 11.442 ( 0.786 7.143 -0.768) 7.227 11.663 ( -3.015 -1.032 5.374) 6.248 12.055 ( -5.018 -2.111 -2.403) 5.951 13.105 ( 10.237 -8.052 -3.452) 13.474 13.597 ( -5.516 -5.062 2.982) 8.059 14.460 ( 5.264 12.313 -0.887) 13.420 15.336 ( -6.782 1.521 1.890) 7.202 16.268 ( -8.193 -19.499 5.221) 21.785 17.486 ( 8.248 -4.859 2.318) 9.850 17.901 ( 0.500 8.569 4.605) 9.741 18.488 ( -5.151 -4.276 -3.864) 7.730 18.607 ( 0.466 -11.168 -12.933) 17.094 20.223 ( 4.584 -2.921 4.914) 7.327 20.532 ( -1.645 8.487 5.312) 10.147 20.912 ( -0.960 -1.516 2.016) 2.699 21.069 ( 1.107 1.584 0.197) 1.943 21.965 ( 1.752 9.377 -0.159) 9.540 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -8.137 -30.250 -22.022) 38.292 2.941 ( -16.515 -30.867 -0.096) 35.008 5.208 ( -2.552 -34.252 -4.025) 34.582 5.458 ( 2.538 -7.151 6.410) 9.933 7.826 ( 2.361 3.329 -4.235) 5.882 8.174 ( -3.117 -6.780 10.422) 12.818 8.453 ( -3.810 2.693 4.632) 6.575 8.600 ( 5.879 7.823 -9.596) 13.706 8.691 ( 8.698 10.542 -11.838) 18.081 9.189 ( -1.143 14.635 -4.050) 15.228 9.893 ( 6.228 16.263 -1.748) 17.503 10.309 ( -11.881 7.000 13.403) 19.230 11.225 ( 6.308 2.120 -3.113) 7.347 11.516 ( -1.757 11.993 0.350) 12.126 11.646 ( 0.130 -0.970 0.723) 1.217 11.972 ( 3.197 -7.414 2.478) 8.445 13.024 ( -5.612 -6.669 -9.544) 12.925 13.516 ( -0.177 -9.330 6.061) 11.127 14.657 ( 7.536 7.135 -1.576) 10.497 15.240 ( -11.855 7.293 4.679) 14.685 16.020 ( 0.286 -21.045 3.015) 21.262 17.576 ( 8.608 -8.845 2.333) 12.561 17.997 ( -0.594 1.652 0.793) 1.926 18.193 ( -11.236 -5.428 0.002) 12.478 18.591 ( 3.739 0.769 -6.441) 7.487 20.268 ( 1.453 -4.241 4.810) 6.575 20.652 ( 3.039 7.115 1.914) 7.970 20.913 ( 0.367 -0.252 4.599) 4.620 21.123 ( 3.047 1.613 0.818) 3.543 22.036 ( -3.757 9.079 -1.685) 9.969 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -4.682 -30.212 -22.675) 38.063 2.510 ( 4.605 -31.847 -2.832) 32.303 4.608 ( 0.091 -64.933 -1.112) 64.943 5.561 ( 0.693 7.848 2.842) 8.375 7.854 ( 0.577 2.774 -5.976) 6.614 8.131 ( -7.317 1.578 13.694) 15.607 8.393 ( -0.796 -0.708 0.388) 1.134 8.765 ( 8.062 9.218 -12.624) 17.588 8.835 ( 1.673 11.439 -9.029) 14.669 9.428 ( 8.112 16.266 0.507) 18.183 9.857 ( -19.031 14.714 0.074) 24.056 10.462 ( 7.444 4.936 8.585) 12.388 11.224 ( -6.704 7.474 -3.431) 10.610 11.606 ( -2.745 6.349 -3.803) 7.894 11.648 ( 6.422 -8.353 0.505) 10.548 12.107 ( 13.220 -1.486 8.993) 16.058 12.744 ( -11.344 -5.905 -8.857) 15.556 13.428 ( -1.387 -10.613 3.488) 11.257 14.839 ( 6.413 1.192 2.248) 6.899 15.138 ( -9.304 8.757 2.430) 13.006 15.887 ( 4.718 -17.853 0.225) 18.467 17.620 ( 5.507 -10.956 -0.422) 12.270 17.813 ( -5.773 -7.885 -3.133) 10.262 18.182 ( -0.707 5.104 7.807) 9.354 18.634 ( 0.673 3.989 0.017) 4.046 20.257 ( -0.001 -5.276 4.576) 6.984 20.747 ( 1.408 3.591 -2.794) 4.763 20.995 ( 3.198 4.755 3.830) 6.892 21.215 ( 4.631 0.477 3.098) 5.592 22.001 ( -8.210 7.592 -1.292) 11.256 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 7.429 -28.102 -17.374) 33.864 2.373 ( 17.906 -34.796 -6.406) 39.654 4.077 ( 18.822 -65.197 0.654) 67.863 5.639 ( -2.110 7.421 1.517) 7.863 7.842 ( -1.114 2.137 -4.342) 4.966 8.100 ( -4.635 1.457 10.421) 11.498 8.445 ( 0.195 7.346 3.422) 8.106 8.858 ( 3.000 3.502 -16.532) 17.163 8.876 ( -6.463 11.581 -3.545) 13.728 9.549 ( -11.243 10.909 -0.778) 15.685 9.870 ( 2.371 17.817 3.550) 18.321 10.644 ( 6.850 3.334 3.532) 8.397 11.142 ( -5.253 -0.053 -8.491) 9.985 11.553 ( -5.125 4.962 0.321) 7.140 11.659 ( 3.603 -10.172 2.884) 11.170 12.282 ( -6.417 -0.930 5.484) 8.492 12.563 ( 6.019 -1.928 -2.542) 6.813 13.357 ( 4.387 -7.569 0.320) 8.754 14.814 ( -10.215 1.465 5.534) 11.710 15.260 ( 12.594 5.283 -1.229) 13.713 15.779 ( 1.419 -16.108 -1.641) 16.254 17.509 ( -3.083 -5.653 -2.556) 6.927 17.762 ( 6.552 -9.130 0.566) 11.251 18.254 ( 0.154 2.073 5.003) 5.418 18.692 ( -3.149 8.081 4.886) 9.954 20.233 ( 0.469 -5.102 4.830) 7.041 20.762 ( 0.040 1.469 -3.098) 3.429 21.117 ( 2.674 6.813 -1.583) 7.488 21.270 ( -1.280 0.054 -1.642) 2.082 21.948 ( -4.888 5.442 5.870) 9.379 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -0.000 0.000 18.125) 18.125 0.679 ( -0.000 0.000 18.125) 18.125 1.759 ( -0.000 0.000 46.521) 46.521 5.904 ( -0.000 0.000 0.762) 0.762 7.991 ( 0.000 -0.000 -8.983) 8.983 7.991 ( 0.000 -0.000 -8.983) 8.983 9.228 ( 0.000 -0.000 -12.128) 12.128 9.549 ( -0.000 0.000 4.267) 4.267 9.549 ( -0.000 0.000 4.267) 4.267 10.164 ( -0.000 0.000 4.851) 4.851 10.579 ( -0.000 -0.000 -0.894) 0.894 10.579 ( 0.000 0.000 -0.894) 0.894 10.974 ( -0.000 0.000 8.874) 8.874 10.974 ( -0.000 0.000 8.874) 8.874 11.741 ( -0.000 0.000 0.053) 0.053 12.448 ( 0.000 -0.000 -2.025) 2.025 12.448 ( 0.000 0.000 -2.025) 2.025 13.649 ( 0.000 -0.000 -3.354) 3.354 14.914 ( 0.000 0.000 -0.679) 0.679 14.914 ( 0.000 -0.000 -0.679) 0.679 15.540 ( 0.000 -0.000 -3.379) 3.379 15.540 ( 0.000 -0.000 -3.379) 3.379 17.570 ( -0.000 0.000 3.535) 3.535 17.570 ( -0.000 0.000 3.535) 3.535 18.194 ( 0.000 -0.000 -1.687) 1.687 19.888 ( -0.000 0.000 1.076) 1.076 20.782 ( -0.000 0.000 0.477) 0.477 21.272 ( 0.000 -0.000 -0.424) 0.424 21.272 ( 0.000 -0.000 -0.424) 0.424 22.487 ( -0.000 0.000 0.888) 0.888 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 38.653 -6.522 10.463) 40.572 1.770 ( 35.060 35.277 17.279) 52.652 2.127 ( 20.335 12.866 33.523) 41.265 5.843 ( -5.039 -2.964 1.165) 5.961 7.865 ( -2.804 0.039 -9.553) 9.957 8.039 ( 4.201 3.287 -7.463) 9.173 8.746 ( -22.198 -16.933 -2.136) 28.000 9.461 ( -12.450 5.485 2.686) 13.868 9.724 ( -0.644 -11.058 12.187) 16.469 9.811 ( -6.408 -6.847 7.501) 12.008 10.511 ( 0.615 -13.315 -1.270) 13.390 10.800 ( -16.646 11.611 7.175) 21.526 10.901 ( 7.195 11.732 -8.009) 15.923 11.164 ( 10.247 -9.337 13.507) 19.355 11.747 ( -1.199 1.035 -0.359) 1.624 12.253 ( -7.367 -2.355 -6.278) 9.961 12.580 ( 2.116 2.886 0.760) 3.658 13.375 ( -6.290 -3.502 3.591) 8.046 14.923 ( -5.123 10.119 -1.167) 11.402 15.037 ( 12.448 -0.564 0.786) 12.486 15.472 ( 1.702 -8.254 -4.492) 9.550 16.465 ( 50.162 30.886 -34.569) 68.302 17.623 ( 4.263 3.000 2.650) 5.848 17.650 ( 4.972 2.146 2.227) 5.855 18.227 ( 3.597 2.101 -1.508) 4.430 19.921 ( 2.138 1.363 0.649) 2.617 20.803 ( 1.572 0.594 0.211) 1.693 21.210 ( -3.582 -5.447 -0.109) 6.520 21.256 ( -1.406 -0.163 -0.585) 1.532 22.404 ( -8.040 -1.744 2.194) 8.515 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 37.253 4.187 7.483) 38.227 2.294 ( 5.947 7.572 33.763) 35.109 3.357 ( 56.213 37.755 4.066) 67.837 5.704 ( -7.363 -4.961 1.446) 8.996 7.790 ( -1.247 2.330 -9.196) 9.569 8.103 ( 1.436 4.538 -2.371) 5.317 8.287 ( -12.079 -12.626 -2.169) 17.607 9.248 ( -16.773 -1.568 5.220) 17.636 9.503 ( -11.686 -10.636 15.934) 22.441 9.808 ( -0.681 -9.938 2.471) 10.263 10.337 ( -8.783 -4.749 3.856) 10.704 10.711 ( -2.201 3.434 -2.505) 4.787 10.986 ( -3.322 7.460 -8.225) 11.591 11.304 ( 9.664 -13.549 11.981) 20.507 11.716 ( -3.614 1.674 -0.554) 4.022 12.130 ( -2.532 5.331 -4.918) 7.682 12.573 ( -5.041 1.093 0.028) 5.158 13.434 ( 7.327 3.172 1.817) 8.188 14.895 ( -10.621 12.882 -1.356) 16.751 15.269 ( 12.435 -13.518 -0.494) 18.374 15.457 ( 10.439 4.418 -2.009) 11.512 17.033 ( 16.593 9.733 -23.505) 30.374 17.776 ( 4.501 5.804 3.545) 8.156 17.852 ( 15.015 5.430 -7.848) 17.791 18.336 ( 6.198 4.013 -1.127) 7.469 19.984 ( 2.606 1.967 0.248) 3.275 20.843 ( 2.084 0.665 -0.005) 2.188 21.058 ( -4.376 -9.640 -0.165) 10.588 21.217 ( -1.754 -1.036 -1.172) 2.350 22.232 ( -11.809 0.044 1.409) 11.893 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 30.361 9.480 9.822) 33.288 2.692 ( 10.848 9.494 22.603) 26.809 4.658 ( 52.532 30.778 -0.177) 60.885 5.495 ( -10.863 -8.106 1.923) 13.689 7.725 ( -3.887 0.938 -6.818) 7.904 8.026 ( -4.429 -2.958 0.505) 5.350 8.190 ( 2.878 3.341 -3.525) 5.646 8.930 ( -19.396 -6.060 8.108) 21.878 9.264 ( -15.659 -8.685 7.507) 19.416 9.629 ( -3.597 -15.782 4.531) 16.809 10.211 ( -8.356 1.809 7.638) 11.464 10.751 ( 8.025 0.138 -9.107) 12.139 10.890 ( -6.074 2.809 -8.257) 10.629 11.301 ( -5.766 -6.318 3.529) 9.253 11.705 ( 7.401 -5.880 0.690) 9.477 12.214 ( 0.298 11.988 2.621) 12.275 12.446 ( -7.890 -1.398 -1.815) 8.216 13.622 ( 8.680 3.906 -0.326) 9.524 14.800 ( -13.022 11.040 -1.635) 17.150 15.194 ( 2.627 -14.525 -3.438) 15.155 15.871 ( 22.743 8.829 2.520) 24.526 17.161 ( 7.021 2.524 -12.723) 14.749 17.912 ( 3.596 2.563 1.426) 4.640 18.085 ( 8.641 5.910 -3.688) 11.100 18.504 ( 8.046 4.879 0.819) 9.445 20.034 ( 0.458 1.079 0.311) 1.212 20.876 ( -1.168 -2.019 1.247) 2.646 20.907 ( 2.006 -6.931 -2.927) 7.786 21.163 ( -1.667 -1.806 -2.103) 3.234 22.019 ( -13.673 0.966 -0.397) 13.713 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 17.358 7.218 2.415) 18.953 3.102 ( 18.395 14.415 21.074) 31.469 5.150 ( -15.244 -13.010 -0.573) 20.049 5.786 ( 43.894 23.394 1.792) 49.771 7.621 ( -4.142 0.384 -1.850) 4.553 8.000 ( 0.614 0.495 -3.441) 3.530 8.272 ( 3.508 6.362 -1.803) 7.485 8.572 ( -19.118 -8.652 8.146) 22.510 8.871 ( -18.240 -10.790 1.317) 21.234 9.487 ( -0.649 -11.776 2.499) 12.056 10.166 ( -5.011 3.204 8.002) 9.970 10.735 ( -5.649 -4.484 -6.391) 9.636 10.861 ( 4.222 2.089 -8.931) 10.097 11.111 ( -7.250 2.504 -4.448) 8.867 11.831 ( 13.227 -10.367 3.561) 17.178 12.161 ( -12.274 -2.502 -1.403) 12.605 12.460 ( 2.308 11.490 5.668) 13.018 13.787 ( 6.980 3.531 -2.733) 8.286 14.659 ( -11.619 6.132 -1.584) 13.233 15.083 ( 0.794 -9.162 -3.283) 9.765 16.362 ( 20.400 9.356 2.440) 22.576 17.240 ( 8.058 1.145 -7.736) 11.229 17.937 ( -0.983 -2.684 -0.645) 2.930 18.234 ( 1.754 7.082 1.899) 7.539 18.701 ( 7.056 1.802 7.887) 10.735 20.005 ( -3.716 -0.747 -0.811) 3.876 20.816 ( 4.189 -6.102 -3.949) 8.389 20.957 ( 3.875 1.931 0.166) 4.333 21.100 ( -1.575 -2.305 -3.105) 4.175 21.786 ( -13.532 0.992 -1.146) 13.616 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 5.153 4.102 2.406) 7.012 3.686 ( 17.013 12.448 12.794) 24.660 4.702 ( -18.132 -13.678 1.003) 22.735 6.683 ( 34.269 15.948 3.291) 37.941 7.592 ( 0.747 -0.974 1.711) 2.105 7.888 ( -11.451 -5.358 -1.827) 12.774 8.255 ( -5.964 -8.866 2.204) 10.910 8.437 ( 4.409 13.487 -2.650) 14.434 8.541 ( -11.083 -5.253 2.711) 12.561 9.365 ( -2.028 -7.236 -4.138) 8.579 10.194 ( -0.555 4.116 2.676) 4.941 10.411 ( -19.061 -14.689 2.904) 24.239 10.796 ( -3.886 7.870 -17.263) 19.367 11.174 ( 7.941 2.323 -4.670) 9.501 11.932 ( -4.072 -3.758 1.349) 5.703 11.969 ( 9.219 -11.047 3.438) 14.794 12.653 ( 0.198 12.271 8.834) 15.122 13.899 ( 4.463 2.917 -3.978) 6.652 14.528 ( -6.491 2.136 -1.494) 6.995 15.002 ( -0.524 -3.842 -3.188) 5.020 16.736 ( 11.208 7.459 -0.474) 13.472 17.397 ( 12.229 1.950 -3.235) 12.800 17.840 ( -4.290 -5.063 -0.087) 6.637 18.302 ( -3.194 6.051 2.885) 7.425 18.827 ( 0.136 -5.602 15.564) 16.542 19.928 ( -2.087 2.017 -3.933) 4.888 20.835 ( 5.789 -4.221 -5.240) 8.876 21.020 ( -2.303 -1.241 -3.135) 4.083 21.094 ( 8.059 3.409 -0.439) 8.762 21.575 ( -11.047 0.912 -0.214) 11.087 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -5.899 -2.757 0.629) 6.542 3.785 ( -17.250 -8.581 4.125) 19.703 4.585 ( 11.136 7.075 6.726) 14.809 7.081 ( -8.167 -5.552 3.469) 10.467 7.654 ( 4.252 -2.250 3.878) 6.179 7.779 ( 17.594 2.150 2.600) 17.915 8.186 ( 1.072 -4.115 0.388) 4.270 8.393 ( -7.051 4.346 5.284) 9.825 8.630 ( 3.751 9.806 -4.240) 11.323 9.243 ( -2.461 0.418 -12.413) 12.661 9.817 ( -26.536 -14.241 -0.562) 30.122 10.320 ( 7.348 -1.319 2.570) 7.895 10.720 ( -3.940 11.460 -17.406) 21.209 11.253 ( 5.291 -1.619 -5.621) 7.888 11.921 ( 2.520 -0.853 3.983) 4.790 12.053 ( 10.151 -12.169 4.881) 16.581 12.790 ( -4.371 10.687 10.096) 15.338 13.941 ( 0.069 0.984 -3.866) 3.989 14.489 ( 1.906 1.186 -1.185) 2.538 14.949 ( -1.238 0.483 -3.813) 4.038 16.853 ( -1.932 0.302 -2.617) 3.267 17.625 ( 11.165 4.576 -5.599) 13.302 17.766 ( 1.336 -2.910 6.619) 7.352 18.278 ( -5.956 2.642 1.591) 6.707 18.749 ( -9.394 -11.284 16.349) 21.974 19.976 ( 4.547 6.705 -2.395) 8.447 20.836 ( 2.550 -4.387 -6.553) 8.288 20.952 ( -2.090 -0.135 -1.701) 2.698 21.285 ( 9.748 0.659 -4.467) 10.743 21.449 ( -5.374 4.912 3.670) 8.153 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( -27.838 -15.673 5.090) 32.349 3.412 ( -14.790 -6.575 0.443) 16.192 4.970 ( 14.812 9.271 4.600) 18.069 6.628 ( -26.261 -17.937 2.486) 31.899 7.711 ( 2.680 -1.055 4.952) 5.729 8.185 ( 1.009 1.047 2.614) 2.991 8.298 ( 26.579 1.079 2.693) 26.737 8.406 ( -4.528 6.508 4.266) 9.003 8.701 ( 2.280 3.301 -1.163) 4.177 8.985 ( -15.609 -6.737 -13.639) 21.796 9.474 ( -2.831 6.390 -0.674) 7.022 10.427 ( 9.322 -7.316 -6.598) 13.563 10.744 ( -0.598 21.441 -10.325) 23.805 11.317 ( 7.406 -1.166 -3.224) 8.161 11.928 ( 1.086 -9.964 3.415) 10.589 12.148 ( 8.219 -7.436 3.023) 11.489 12.833 ( -8.596 8.846 10.322) 16.084 13.858 ( -6.228 -1.932 -3.965) 7.631 14.610 ( 11.098 -0.515 0.450) 11.119 14.925 ( -2.212 6.252 -5.152) 8.398 16.654 ( -13.095 -7.911 -2.774) 15.548 17.796 ( 6.714 5.336 -1.396) 8.689 17.889 ( 6.143 0.507 3.572) 7.124 18.170 ( -6.900 -2.549 -0.952) 7.417 18.555 ( -9.355 -7.627 14.260) 18.682 20.148 ( 6.453 6.530 1.744) 9.345 20.762 ( -0.807 -3.789 -6.659) 7.704 20.934 ( 0.024 0.714 -0.998) 1.227 21.287 ( 0.890 -4.610 -4.361) 6.408 21.604 ( 6.849 9.985 2.191) 12.305 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -32.713 -15.924 11.853) 38.265 3.045 ( -19.387 -11.657 0.881) 22.638 5.265 ( 7.192 3.265 1.982) 8.143 5.859 ( -38.052 -24.027 -0.010) 45.003 7.780 ( 2.635 -0.688 4.975) 5.672 8.237 ( -9.631 9.858 -7.418) 15.652 8.327 ( 3.748 1.719 -0.980) 4.238 8.596 ( 7.571 -2.354 6.605) 10.320 8.687 ( 0.884 -9.169 5.044) 10.502 9.030 ( 22.066 5.050 0.812) 22.651 9.610 ( 1.605 19.628 -3.435) 19.990 10.438 ( 6.847 -4.789 -11.503) 14.217 10.977 ( 5.733 19.678 -2.612) 20.662 11.446 ( 7.915 1.758 0.163) 8.110 11.816 ( -2.116 -13.134 2.586) 13.553 12.179 ( 4.785 -9.957 -2.379) 11.300 12.805 ( -10.672 7.603 9.843) 16.389 13.663 ( -9.784 -3.484 -3.985) 11.124 14.793 ( 12.530 -10.344 1.026) 16.280 14.966 ( -1.402 17.893 -5.467) 18.762 16.278 ( -16.051 -11.757 -1.788) 19.977 17.825 ( -6.759 -6.858 8.044) 12.547 17.951 ( -3.592 -3.520 -3.291) 6.010 18.079 ( 3.997 7.781 -6.804) 11.082 18.523 ( 1.518 -0.721 10.960) 11.088 20.294 ( 2.221 2.307 1.913) 3.730 20.697 ( 1.364 -1.623 -3.863) 4.407 20.947 ( 1.637 1.026 -1.971) 2.761 21.239 ( 1.938 -4.777 -3.996) 6.522 21.824 ( 5.462 10.162 0.686) 11.558 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -30.440 33.480 11.066) 46.583 1.770 ( 21.305 60.089 9.287) 64.427 2.324 ( -0.006 7.694 38.760) 39.516 5.847 ( -0.075 -6.178 1.346) 6.323 7.832 ( 2.112 -0.775 -8.373) 8.670 7.959 ( -0.515 2.764 -8.384) 8.843 8.757 ( -2.784 -22.345 -4.531) 22.969 9.462 ( 9.878 -7.183 4.197) 12.915 9.743 ( -8.006 2.314 2.052) 8.582 9.867 ( -1.807 -20.299 13.843) 24.636 10.475 ( -11.410 -9.064 0.124) 14.572 10.810 ( 12.230 -10.185 9.705) 18.641 10.911 ( 5.839 16.292 -9.641) 19.811 11.327 ( -8.294 11.224 11.562) 18.123 11.760 ( 1.635 1.599 -0.076) 2.288 12.159 ( 1.628 -14.498 -6.716) 16.060 12.653 ( 1.471 11.708 0.459) 11.809 13.317 ( 0.460 -15.830 2.421) 16.021 14.854 ( 5.990 -3.190 -1.072) 6.870 15.036 ( -2.240 8.148 0.756) 8.484 15.524 ( -9.047 1.996 -3.637) 9.952 16.260 ( 3.433 53.801 -28.519) 60.989 17.620 ( -0.781 2.455 2.449) 3.554 17.701 ( 0.487 8.055 3.695) 8.876 18.215 ( 0.079 4.024 -1.555) 4.315 19.927 ( 0.141 2.523 0.758) 2.638 20.802 ( -0.296 1.145 0.260) 1.211 21.210 ( -2.517 -5.371 -0.241) 5.936 21.254 ( 0.576 -1.458 -0.476) 1.638 22.414 ( 2.076 -7.723 1.732) 8.182 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 10.207 35.256 7.878) 37.539 2.498 ( 4.096 8.535 32.958) 34.291 3.040 ( 34.457 52.175 5.900) 62.804 5.749 ( -3.923 -7.717 1.866) 8.856 7.798 ( -1.899 2.809 -6.226) 7.089 7.997 ( 7.085 1.380 -8.885) 11.447 8.392 ( -12.514 -13.592 0.269) 18.477 9.484 ( -7.467 -4.243 -1.050) 8.652 9.631 ( -6.470 -15.510 16.519) 23.565 9.694 ( 0.861 -11.359 8.344) 14.121 10.236 ( -3.007 -10.180 -6.931) 12.677 10.941 ( 7.323 -5.961 7.374) 11.980 11.052 ( 0.893 9.986 -7.131) 12.303 11.196 ( -18.411 -0.843 7.366) 19.847 11.787 ( -2.760 0.467 -0.853) 2.926 12.067 ( 7.149 -6.980 -1.214) 10.065 12.747 ( -6.212 12.231 -1.706) 13.824 13.304 ( 9.090 -4.328 2.111) 10.287 14.964 ( 8.640 -6.550 1.441) 10.937 15.164 ( 6.302 11.992 -2.258) 13.734 15.331 ( -8.939 1.446 -4.948) 10.319 16.770 ( 16.066 29.214 -24.438) 41.338 17.700 ( 6.109 6.435 -2.201) 9.142 17.830 ( 1.072 9.197 3.523) 9.907 18.298 ( 4.030 6.583 -0.247) 7.722 19.977 ( 1.619 3.129 0.576) 3.570 20.816 ( 0.896 0.519 -0.215) 1.057 21.061 ( -5.740 -9.503 1.194) 11.166 21.223 ( -1.294 -2.246 -0.540) 2.648 22.339 ( -3.319 -6.101 -0.065) 6.946 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 22.383 30.927 6.220) 38.681 2.831 ( 4.851 10.041 27.722) 29.881 4.197 ( 40.364 42.015 -0.379) 58.264 5.583 ( -7.263 -9.007 2.853) 11.917 7.762 ( -2.145 3.685 -5.715) 7.130 8.018 ( -0.597 -7.542 -3.810) 8.470 8.183 ( -1.701 2.788 -0.429) 3.294 9.219 ( -15.274 -6.546 3.139) 16.912 9.444 ( -9.101 -12.676 12.776) 20.168 9.550 ( -6.956 -19.531 5.226) 21.382 10.164 ( 9.014 -6.534 -4.617) 12.052 10.854 ( -16.734 -4.837 1.271) 17.466 10.966 ( -4.880 6.213 -5.011) 9.355 11.179 ( 10.362 -3.311 2.768) 11.225 11.653 ( -5.897 -4.887 -4.420) 8.842 12.235 ( 9.743 2.540 6.960) 12.240 12.661 ( -13.244 8.795 -4.004) 16.395 13.489 ( 10.538 1.753 0.587) 10.699 14.950 ( 1.530 -13.378 -3.854) 14.006 15.162 ( -11.751 12.511 -0.373) 17.168 15.550 ( 23.286 6.266 -0.262) 24.116 17.027 ( 5.586 10.807 -13.744) 18.355 17.920 ( 4.109 4.752 -0.343) 6.292 17.960 ( 9.032 12.539 -3.104) 15.762 18.471 ( 5.534 9.388 2.219) 11.121 20.038 ( 1.401 2.141 0.788) 2.677 20.814 ( -1.029 -6.941 -1.005) 7.088 20.889 ( -2.490 -3.759 1.471) 4.743 21.165 ( -1.926 -2.720 -0.851) 3.440 22.181 ( -7.726 -4.713 -2.224) 9.320 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 19.887 29.286 4.457) 35.680 3.197 ( 7.220 13.971 20.616) 25.929 5.122 ( 17.568 8.776 -5.182) 20.310 5.447 ( 10.211 7.382 7.121) 14.473 7.709 ( -4.999 3.424 -3.090) 6.801 7.939 ( 1.839 -3.328 -1.797) 4.206 8.232 ( 2.745 2.305 -2.691) 4.482 8.893 ( -18.719 -9.013 8.843) 22.579 9.052 ( -18.252 -15.174 -1.214) 23.767 9.363 ( 0.752 -16.178 5.815) 17.208 10.263 ( 2.841 -3.520 7.815) 9.030 10.593 ( 0.829 -9.222 -12.449) 15.515 10.930 ( -6.806 13.529 -4.239) 15.727 11.258 ( -4.053 0.248 -1.364) 4.284 11.541 ( 6.632 -8.919 0.120) 11.115 12.405 ( -13.341 2.739 -0.051) 13.619 12.509 ( 4.600 6.039 5.195) 9.199 13.672 ( 8.290 2.845 -2.202) 9.037 14.755 ( -4.061 -12.822 -5.040) 14.363 15.118 ( -7.341 10.280 -0.372) 12.638 16.060 ( 25.535 7.433 2.504) 26.712 17.103 ( 3.875 4.177 -8.141) 9.937 17.939 ( -1.699 -1.398 0.566) 2.271 18.270 ( 8.427 15.301 -1.237) 17.511 18.680 ( 4.966 8.522 5.714) 11.398 20.052 ( -1.876 -0.920 1.310) 2.466 20.673 ( 0.109 -9.464 -2.588) 9.812 20.916 ( 2.914 1.509 0.244) 3.291 21.097 ( -2.071 -2.586 -1.242) 3.538 21.965 ( -9.990 -3.845 -3.529) 11.271 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( 2.498 22.324 1.957) 22.549 3.661 ( 15.119 19.675 14.801) 28.893 4.885 ( -16.733 -13.176 1.463) 21.349 6.200 ( 37.501 14.304 2.944) 40.244 7.640 ( -5.290 0.790 0.629) 5.385 7.944 ( 0.585 -1.400 -3.331) 3.660 8.233 ( -3.680 -10.316 0.293) 10.957 8.485 ( -10.071 -7.586 0.801) 12.634 8.741 ( -9.664 -0.011 1.419) 9.768 9.260 ( 1.215 -12.736 1.232) 12.853 10.209 ( -1.708 -10.098 2.712) 10.595 10.530 ( -1.824 -0.147 -8.975) 9.159 10.919 ( -9.179 9.791 -3.379) 13.840 11.144 ( -3.022 7.767 -8.193) 11.687 11.650 ( 12.420 -11.149 4.949) 17.408 12.116 ( -15.243 0.109 -1.553) 15.322 12.749 ( 6.763 6.174 10.244) 13.740 13.805 ( 6.350 2.521 -4.527) 8.196 14.535 ( -3.179 -12.221 -4.046) 13.260 15.094 ( -6.767 10.291 -1.370) 12.392 16.552 ( 19.888 7.194 1.622) 21.211 17.192 ( 8.360 1.224 -3.593) 9.182 17.851 ( -4.231 -5.420 -0.323) 6.883 18.492 ( -1.707 15.624 2.137) 15.862 18.853 ( 2.467 1.246 11.423) 11.753 19.978 ( -3.989 -1.188 -0.511) 4.193 20.635 ( 6.400 -6.264 -5.227) 10.369 21.005 ( 4.754 1.470 -0.223) 4.981 21.034 ( -1.500 -0.697 -1.391) 2.161 21.738 ( -9.526 -2.767 -3.086) 10.389 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.539 ( -9.115 14.861 0.970) 17.461 4.060 ( -6.538 10.055 8.428) 14.659 4.558 ( -1.913 -1.991 4.340) 5.144 6.919 ( 29.572 3.391 3.626) 29.986 7.459 ( -8.003 -17.495 3.717) 19.594 7.824 ( -7.196 1.924 -1.034) 7.520 8.065 ( 3.452 -10.136 0.693) 10.730 8.455 ( 2.575 -2.377 1.865) 3.969 8.718 ( -1.475 10.587 -1.510) 10.795 9.183 ( 2.253 -3.903 -4.894) 6.653 10.096 ( -0.717 -14.681 -3.625) 15.139 10.267 ( -21.991 4.594 -4.795) 22.971 10.846 ( -4.341 12.547 -9.002) 16.041 11.173 ( 0.438 4.159 -6.652) 7.857 11.764 ( 9.598 -11.466 5.703) 16.003 11.969 ( -2.266 1.550 3.280) 4.278 12.957 ( 2.493 5.887 11.093) 12.804 13.885 ( 3.962 1.056 -5.565) 6.912 14.378 ( 1.663 -11.193 -2.935) 11.690 15.077 ( -6.447 11.635 -2.460) 13.528 16.843 ( 5.509 4.661 -1.960) 7.478 17.392 ( 14.711 -0.680 0.799) 14.748 17.719 ( -1.962 -6.720 0.219) 7.004 18.540 ( -10.509 13.582 1.240) 17.217 18.877 ( -5.518 -8.571 16.730) 19.591 19.963 ( 2.230 5.068 -2.209) 5.961 20.660 ( 6.535 -6.045 -6.711) 11.148 20.976 ( -1.809 -0.264 -1.308) 2.248 21.136 ( 6.512 1.417 -2.496) 7.116 21.579 ( -5.076 0.468 -0.000) 5.098 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -24.037 -2.216 5.059) 24.663 3.790 ( -24.434 7.189 3.457) 25.703 4.833 ( 14.340 9.273 2.995) 17.338 6.828 ( -19.315 -22.209 2.812) 29.567 7.585 ( 19.860 -6.085 3.864) 21.128 7.865 ( 11.120 1.562 0.699) 11.251 8.097 ( 8.647 -4.617 3.683) 10.471 8.515 ( 1.925 0.697 3.747) 4.270 8.739 ( -1.967 1.602 -0.515) 2.588 9.215 ( -4.979 12.907 -12.560) 18.685 9.630 ( -22.263 -6.370 -0.483) 23.162 10.176 ( 6.466 -0.939 -10.190) 12.105 10.909 ( -0.191 16.197 -6.172) 17.334 11.181 ( 3.196 1.052 -4.465) 5.591 11.798 ( 3.585 -11.264 5.808) 13.171 12.039 ( 3.757 0.614 3.103) 4.911 13.068 ( -3.175 4.602 10.903) 12.253 13.871 ( -1.344 -2.456 -6.093) 6.705 14.363 ( 9.629 -8.577 -1.102) 12.943 15.083 ( -5.176 13.740 -3.516) 15.098 16.786 ( -10.366 -3.343 -3.388) 11.406 17.638 ( 13.067 0.976 -2.163) 13.281 17.717 ( 7.326 -6.662 3.772) 10.597 18.439 ( -13.771 9.781 0.120) 16.892 18.729 ( -10.619 -9.614 16.852) 22.117 20.109 ( 6.618 7.308 0.093) 9.859 20.642 ( 3.550 -6.123 -8.126) 10.776 20.948 ( -1.138 1.181 -1.235) 2.053 21.174 ( 2.124 -3.918 -5.169) 6.825 21.623 ( 4.313 6.804 3.210) 8.672 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -32.218 -9.680 13.347) 36.191 3.448 ( -27.934 7.799 0.334) 29.005 5.141 ( 11.746 4.782 0.167) 12.683 6.192 ( -28.069 -25.750 0.328) 38.093 7.749 ( 3.833 -0.013 3.606) 5.263 8.136 ( 18.575 -3.297 2.863) 19.081 8.359 ( 14.378 -0.487 2.723) 14.642 8.449 ( -5.461 -4.403 0.894) 7.072 8.775 ( -5.905 0.669 -10.073) 11.695 8.925 ( -10.952 11.399 9.980) 18.695 9.618 ( 11.847 3.642 -3.947) 13.007 10.242 ( 4.807 6.682 -12.867) 15.275 11.077 ( 4.255 13.192 -1.547) 13.947 11.283 ( 8.755 3.503 -2.591) 9.780 11.739 ( -1.069 -10.472 4.635) 11.502 12.075 ( 0.027 -3.369 0.058) 3.369 13.078 ( -6.981 3.276 10.229) 12.810 13.728 ( -5.896 -5.021 -6.494) 10.106 14.495 ( 12.900 -6.304 0.884) 14.385 15.137 ( -2.654 15.250 -4.255) 16.053 16.449 ( -17.405 -8.521 -3.589) 19.708 17.730 ( 2.932 -13.499 1.250) 13.870 17.864 ( 9.856 5.291 -4.572) 12.085 18.314 ( -12.770 9.499 3.117) 16.218 18.581 ( -5.356 -6.916 13.858) 16.388 20.277 ( 4.140 3.371 0.971) 5.426 20.592 ( 3.460 -3.452 -8.233) 9.575 20.936 ( -0.611 1.099 -2.534) 2.829 21.128 ( 1.654 -4.509 -3.408) 5.889 21.827 ( 7.041 8.415 2.511) 11.256 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -7.577 36.802 6.148) 38.074 2.350 ( -10.569 13.764 29.103) 33.884 2.919 ( -31.872 45.548 11.168) 56.702 5.760 ( 3.365 -6.691 2.109) 7.780 7.720 ( 2.295 -1.099 -8.172) 8.559 8.008 ( -5.011 2.036 -3.712) 6.560 8.446 ( 11.631 -12.931 -4.294) 17.915 9.292 ( 6.268 -9.051 6.164) 12.617 9.685 ( 6.570 -15.085 9.071) 18.789 9.859 ( -2.029 -2.995 1.078) 3.774 10.450 ( 5.513 -21.573 15.930) 27.378 10.644 ( -1.914 -3.332 -2.314) 4.486 10.933 ( 5.405 16.845 -11.055) 20.860 11.584 ( -2.955 9.275 13.226) 16.422 11.690 ( 5.790 -2.655 -0.796) 6.419 11.944 ( -1.046 -12.912 -9.992) 16.360 12.665 ( 7.333 5.158 2.108) 9.210 13.310 ( -9.471 -2.283 0.288) 9.747 14.725 ( 1.953 -7.572 -2.018) 8.076 15.287 ( -13.721 8.301 2.452) 16.223 15.564 ( 5.954 8.601 -1.943) 10.640 16.710 ( -17.386 28.691 -29.000) 44.344 17.722 ( -4.794 4.330 3.332) 7.269 17.830 ( -2.599 12.621 -0.567) 12.898 18.286 ( -3.495 5.560 -1.118) 6.662 19.968 ( -1.281 2.650 0.382) 2.968 20.832 ( -1.310 1.338 0.033) 1.872 21.176 ( 1.807 -3.062 -1.746) 3.961 21.205 ( 1.609 -2.479 -0.505) 2.998 22.242 ( 6.780 -12.173 2.739) 14.201 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -15.543 32.790 5.972) 36.775 2.693 ( 4.772 10.224 29.093) 31.204 3.311 ( 4.732 63.446 4.738) 63.799 5.717 ( -0.791 -8.634 2.616) 9.056 7.764 ( 6.366 1.349 -5.336) 8.415 7.924 ( -4.078 2.538 -5.288) 7.143 8.381 ( -0.742 -10.718 -3.731) 11.373 9.374 ( 7.218 -7.202 4.941) 11.330 9.595 ( -0.553 -17.596 7.437) 19.111 9.728 ( -6.711 -10.590 5.506) 13.693 10.234 ( -10.226 -15.070 1.852) 18.306 10.660 ( 9.829 -14.377 7.104) 18.809 11.139 ( 1.397 15.099 -10.579) 18.489 11.526 ( -9.466 -0.723 2.495) 9.816 11.750 ( 1.597 -13.660 -7.995) 15.908 11.866 ( 6.156 3.872 7.289) 10.297 12.906 ( 6.282 11.792 2.435) 13.581 13.155 ( -2.147 -2.199 -0.998) 3.232 14.780 ( 9.955 -2.947 -0.663) 10.403 15.141 ( -7.282 -0.022 -1.781) 7.497 15.610 ( -9.255 11.117 -0.339) 14.469 16.780 ( 4.310 32.214 -22.737) 39.664 17.724 ( -1.686 6.440 0.032) 6.657 17.941 ( -0.286 10.382 2.164) 10.609 18.331 ( 1.108 9.695 -0.416) 9.767 19.996 ( 0.447 3.604 0.242) 3.640 20.825 ( -0.872 0.963 -0.121) 1.305 21.062 ( -4.503 -9.251 -0.020) 10.289 21.206 ( 0.200 -2.590 -0.631) 2.674 22.238 ( 4.411 -11.175 0.645) 12.031 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 7.173 35.576 4.937) 36.626 3.011 ( 4.047 9.255 25.636) 27.554 4.163 ( 18.906 55.840 -0.677) 58.957 5.601 ( -3.855 -9.795 3.457) 11.079 7.815 ( -2.369 3.245 -2.553) 4.760 7.899 ( 4.264 -0.963 -5.905) 7.347 8.249 ( -3.737 -1.196 -1.586) 4.232 9.315 ( -5.374 -9.718 -3.266) 11.575 9.424 ( -4.711 -20.780 11.943) 24.426 9.609 ( -4.564 -13.035 15.643) 20.867 9.936 ( -0.587 -8.881 -9.867) 13.288 10.683 ( 7.225 -24.598 5.488) 26.218 11.144 ( -2.616 7.737 -11.695) 14.265 11.329 ( -14.897 7.207 2.497) 16.736 11.634 ( -0.995 -7.212 -3.341) 8.010 12.071 ( 11.237 -1.333 8.609) 14.219 12.957 ( -10.761 12.167 -6.226) 17.396 13.298 ( 13.368 1.411 2.569) 13.686 14.847 ( -2.571 -6.314 0.319) 6.825 15.136 ( 14.944 -4.034 -4.257) 16.054 15.574 ( -9.413 18.455 0.862) 20.735 17.032 ( 3.155 19.618 -13.232) 23.873 17.847 ( 7.552 11.549 -3.380) 14.206 18.017 ( -0.756 5.873 1.498) 6.108 18.513 ( 4.714 14.103 2.115) 15.020 20.044 ( 0.814 2.909 0.153) 3.024 20.791 ( -3.523 -5.480 0.014) 6.515 20.895 ( -2.519 -5.870 1.292) 6.517 21.161 ( -1.368 -3.200 -0.655) 3.541 22.163 ( -0.463 -9.811 -2.415) 10.115 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 18.348 34.408 4.758) 39.283 3.342 ( 5.859 14.214 18.018) 23.686 4.950 ( 17.053 32.170 -3.295) 36.559 5.465 ( -2.355 -4.242 5.801) 7.562 7.793 ( -1.663 5.100 -4.913) 7.274 7.886 ( -0.686 -2.305 -1.508) 2.839 8.222 ( -0.654 1.701 -0.773) 1.979 9.057 ( -9.195 -11.866 0.358) 15.016 9.179 ( -11.416 -23.053 5.045) 26.214 9.274 ( -11.205 -15.627 6.108) 20.175 10.069 ( 16.913 -0.614 1.257) 16.970 10.440 ( -4.375 -22.850 -5.233) 23.846 11.194 ( 2.634 5.958 -5.376) 8.446 11.227 ( -5.755 8.058 3.641) 10.550 11.499 ( -6.883 -2.764 -2.005) 7.684 12.327 ( 14.512 -3.677 9.263) 17.604 12.780 ( -17.120 9.321 -7.461) 20.872 13.532 ( 10.049 2.663 -0.498) 10.408 14.664 ( -5.204 -10.804 -4.177) 12.699 15.301 ( 2.824 1.365 0.725) 3.219 15.780 ( 13.165 16.205 1.625) 20.942 17.111 ( -1.770 9.646 -7.644) 12.434 17.964 ( -1.829 -1.420 1.908) 3.001 18.237 ( 12.727 18.566 -3.514) 22.783 18.759 ( 3.778 14.751 4.819) 15.971 20.064 ( -0.492 -0.649 0.184) 0.835 20.606 ( -4.695 -11.265 0.544) 12.217 20.891 ( 1.651 0.843 0.413) 1.899 21.097 ( -1.699 -3.001 -0.818) 3.544 22.005 ( -4.556 -8.437 -4.505) 10.594 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( 11.709 35.425 2.397) 37.386 3.695 ( 9.807 15.815 12.425) 22.376 5.015 ( -10.842 -9.644 1.269) 14.565 5.829 ( 23.077 17.656 3.705) 29.292 7.773 ( -5.820 4.732 -3.136) 8.130 7.856 ( 1.734 -3.062 -1.387) 3.782 8.210 ( -1.008 -1.783 -0.097) 2.051 8.627 ( -19.863 -20.416 2.480) 28.592 8.834 ( -5.106 -7.665 -1.571) 9.343 9.107 ( 1.214 -15.076 3.509) 15.526 10.114 ( -4.446 -16.397 -6.718) 18.269 10.385 ( 14.380 2.662 1.615) 14.713 11.198 ( -3.509 12.323 -6.583) 14.405 11.288 ( -11.668 7.126 1.057) 13.713 11.399 ( 7.954 -6.053 3.277) 10.519 12.410 ( -15.879 -2.210 0.108) 16.033 12.664 ( 9.623 3.507 3.963) 10.982 13.692 ( 6.869 2.784 -3.461) 8.180 14.434 ( -4.353 -12.565 -4.643) 14.085 15.319 ( -5.215 8.320 0.423) 9.828 16.251 ( 22.238 9.340 2.556) 24.255 17.132 ( 0.414 6.050 -4.642) 7.637 17.877 ( -4.743 -5.672 1.165) 7.485 18.612 ( 8.841 17.408 0.953) 19.548 18.954 ( -1.206 10.641 6.908) 12.744 20.010 ( -2.341 -4.126 0.079) 4.744 20.471 ( 1.042 -7.949 -1.676) 8.190 20.950 ( 3.353 1.562 0.113) 3.701 21.040 ( -1.303 -1.709 -0.960) 2.353 21.804 ( -6.193 -6.643 -4.854) 10.298 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.900 ( -6.890 21.368 2.901) 22.637 4.240 ( 11.957 26.517 5.198) 29.549 4.677 ( -15.687 -10.639 4.131) 19.399 6.422 ( 29.562 5.143 3.411) 30.199 7.541 ( -16.443 -16.719 2.690) 23.604 7.853 ( 3.337 -4.586 -1.951) 5.998 8.038 ( -11.130 -4.534 0.685) 12.038 8.386 ( 2.535 -1.483 0.642) 3.006 8.755 ( 2.178 -1.424 -2.676) 3.732 9.031 ( 4.246 -10.267 -1.472) 11.207 9.909 ( 1.084 -8.134 -8.420) 11.758 10.564 ( -1.433 4.287 0.928) 4.614 11.100 ( -17.163 10.743 -2.692) 20.426 11.216 ( -2.427 6.036 -5.995) 8.847 11.546 ( 9.812 -3.126 4.008) 11.050 12.109 ( -12.049 -1.984 2.536) 12.472 12.927 ( 11.501 0.726 8.104) 14.088 13.789 ( 4.491 2.326 -5.500) 7.472 14.228 ( -1.390 -12.569 -3.861) 13.222 15.310 ( -6.791 11.160 -0.669) 13.081 16.692 ( 17.075 6.098 0.306) 18.134 17.215 ( 5.885 3.303 -0.217) 6.752 17.716 ( -5.606 -7.853 0.058) 9.649 18.845 ( -4.189 16.323 0.290) 16.855 18.980 ( -5.198 -3.684 12.591) 14.111 19.969 ( 0.722 2.033 -0.449) 2.204 20.447 ( 5.723 -6.797 -4.548) 9.982 20.989 ( -0.533 -0.225 -0.755) 0.951 21.050 ( 3.909 1.419 -1.356) 4.374 21.632 ( -3.990 -3.592 -2.821) 6.065 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.813 ( -22.968 6.356 5.188) 24.389 4.339 ( -21.637 12.450 4.045) 25.289 4.696 ( 12.919 10.646 0.299) 16.743 6.881 ( -0.837 -15.707 2.667) 15.954 7.100 ( 13.035 -14.625 4.039) 20.003 7.877 ( -2.281 3.591 -1.089) 4.391 7.917 ( 5.643 -6.330 2.985) 8.990 8.466 ( 4.329 -0.616 2.256) 4.921 8.755 ( -0.120 -2.796 -0.141) 2.802 9.074 ( 12.362 -2.895 -10.630) 16.559 9.894 ( 0.622 4.687 -4.428) 6.478 10.327 ( -27.309 7.071 -5.470) 28.735 10.979 ( -2.570 3.638 -1.018) 4.569 11.196 ( -1.016 5.394 -3.798) 6.675 11.688 ( 4.906 -0.637 3.357) 5.978 12.029 ( 0.176 -1.351 4.720) 4.913 13.131 ( 5.722 -1.097 8.725) 10.492 13.815 ( 0.514 -0.186 -6.773) 6.795 14.128 ( 5.798 -8.940 -2.310) 10.903 15.304 ( -6.460 12.149 -1.544) 13.846 16.878 ( -1.772 2.610 -3.844) 4.973 17.392 ( 11.682 -3.371 4.730) 13.047 17.599 ( 2.103 -3.315 -1.632) 4.252 18.734 ( -13.288 1.554 -1.370) 13.449 18.943 ( -8.675 -1.305 16.112) 18.345 20.076 ( 5.191 7.192 0.388) 8.878 20.448 ( 5.632 -6.392 -7.691) 11.477 20.974 ( -1.029 1.157 -0.920) 1.801 21.091 ( 1.566 -1.583 -3.421) 4.082 21.608 ( 3.635 1.706 0.750) 4.085 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( -31.252 -3.374 12.140) 33.696 4.084 ( -28.768 15.625 0.705) 32.745 4.969 ( 11.632 3.676 -2.540) 12.461 6.345 ( -20.120 -25.306 1.715) 32.376 7.557 ( 26.605 -0.653 3.071) 26.789 7.847 ( 2.951 -3.533 0.609) 4.644 8.133 ( 14.740 1.902 5.892) 15.987 8.459 ( -1.892 -7.069 0.002) 7.318 8.772 ( 1.630 4.708 -1.697) 5.263 9.211 ( 13.749 -3.925 -13.042) 19.353 9.609 ( -32.775 5.372 6.371) 33.818 10.224 ( 5.641 15.917 -10.245) 19.751 11.011 ( 4.282 -3.290 2.583) 5.986 11.274 ( 3.040 10.010 -1.898) 10.632 11.721 ( -1.637 -1.147 2.046) 2.861 12.063 ( 1.087 -0.842 2.086) 2.499 13.189 ( -0.185 -5.813 7.029) 9.123 13.724 ( -4.046 -1.984 -6.226) 7.686 14.233 ( 12.561 -2.632 -0.275) 12.837 15.314 ( -4.650 11.032 -1.912) 12.123 16.664 ( -16.704 -2.930 -4.890) 17.649 17.525 ( 7.836 -10.308 2.745) 13.237 17.721 ( 9.583 5.129 -3.543) 11.432 18.541 ( -7.148 -1.828 2.883) 7.922 18.809 ( -14.871 -1.555 13.949) 20.448 20.233 ( 4.444 2.009 1.045) 4.988 20.436 ( 5.092 -0.874 -10.109) 11.352 20.955 ( -1.757 0.905 -2.118) 2.897 21.063 ( 0.586 -2.106 -1.727) 2.786 21.765 ( 8.686 4.205 1.257) 9.732 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -10.026 34.743 5.797) 36.623 2.723 ( -7.420 5.986 27.433) 29.042 4.140 ( -46.003 44.044 0.835) 63.693 5.622 ( 7.171 -6.453 2.774) 10.038 7.649 ( -0.405 -1.885 -7.114) 7.371 8.090 ( 1.059 -1.247 3.405) 3.777 8.135 ( 4.484 -4.546 -6.335) 8.995 9.077 ( 11.694 -11.293 6.712) 17.588 9.440 ( 11.284 -13.985 8.859) 20.035 9.794 ( 2.983 -6.187 -3.102) 7.536 10.247 ( 7.286 -12.073 14.417) 20.166 10.624 ( -5.795 -9.804 -6.914) 13.323 10.898 ( 7.545 13.100 -9.361) 17.781 11.486 ( 11.965 -4.483 0.244) 12.780 11.819 ( -4.497 8.625 10.552) 14.351 11.902 ( -12.711 -8.727 -6.245) 16.635 12.561 ( 10.312 3.242 0.220) 10.812 13.502 ( -10.706 2.555 -1.071) 11.058 14.603 ( -0.153 -11.846 -1.577) 11.951 15.426 ( 5.755 1.929 -2.302) 6.491 15.748 ( -13.135 18.380 2.969) 22.786 16.995 ( -10.308 11.022 -18.188) 23.634 17.884 ( -5.073 5.017 2.816) 7.671 18.016 ( -5.133 11.412 -2.735) 12.809 18.436 ( -6.709 8.265 0.007) 10.645 20.016 ( -1.288 1.256 0.237) 1.815 20.866 ( -1.348 0.554 0.305) 1.489 21.066 ( 7.061 1.191 -3.041) 7.779 21.155 ( 0.303 -3.493 -1.864) 3.971 21.999 ( 7.106 -14.437 2.346) 16.261 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -16.934 28.278 1.758) 33.007 2.899 ( 0.925 8.515 27.489) 28.793 4.103 ( -18.367 61.234 0.259) 63.930 5.645 ( 1.795 -7.964 3.563) 8.907 7.642 ( 4.656 0.981 -4.351) 6.448 8.023 ( -5.483 0.825 -3.595) 6.608 8.197 ( 7.637 -5.242 -2.167) 9.513 9.190 ( 9.787 -10.723 6.640) 15.964 9.435 ( 1.912 -16.156 4.003) 16.754 9.707 ( -1.050 -11.814 1.710) 11.983 10.253 ( -4.871 -15.834 13.714) 21.506 10.409 ( 4.177 -15.441 -5.300) 16.851 11.146 ( 6.615 11.524 -10.574) 16.981 11.521 ( -7.158 -16.744 0.670) 18.222 11.586 ( 5.214 -0.429 -3.979) 6.573 11.942 ( -0.861 9.082 4.590) 10.212 12.842 ( 12.276 9.026 4.424) 15.866 13.313 ( -11.908 3.029 -2.206) 12.484 14.571 ( 7.831 -5.787 -1.852) 9.912 15.308 ( -12.041 -4.911 -0.348) 13.008 15.852 ( -3.339 17.560 1.775) 17.963 16.920 ( -2.085 21.547 -18.566) 28.519 17.860 ( -5.190 5.598 1.825) 7.849 18.069 ( -2.191 10.202 0.075) 10.434 18.456 ( -2.699 13.518 -0.082) 13.786 20.028 ( 0.123 3.033 0.069) 3.036 20.853 ( -1.096 0.845 0.126) 1.390 21.030 ( -3.103 -8.466 -2.971) 9.494 21.155 ( 2.367 -2.078 -0.985) 3.300 22.007 ( 7.929 -13.740 2.042) 15.994 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -7.438 26.814 1.734) 27.880 3.178 ( 3.465 10.068 22.104) 24.535 4.600 ( 0.613 61.026 -2.156) 61.068 5.579 ( -2.040 -8.544 4.340) 9.798 7.758 ( 7.226 2.813 -1.610) 7.920 7.911 ( -4.718 0.686 -5.203) 7.057 8.240 ( 1.976 0.247 -2.200) 2.967 9.246 ( 1.869 -12.047 1.914) 12.340 9.295 ( 1.317 -19.243 4.744) 19.863 9.575 ( -0.383 -10.199 9.165) 13.717 9.952 ( -14.584 -14.429 0.645) 20.525 10.343 ( 7.607 -23.283 2.682) 24.641 11.141 ( 0.429 -0.135 -12.881) 12.889 11.354 ( 1.382 -14.140 -0.191) 14.209 11.672 ( 0.125 9.125 0.123) 9.127 12.030 ( 0.663 3.536 5.121) 6.259 13.151 ( 3.588 2.487 3.724) 5.739 13.181 ( -1.223 12.985 -4.221) 13.709 14.724 ( 14.543 -2.624 0.296) 14.781 15.014 ( -11.977 -7.667 -3.266) 14.591 15.924 ( -8.553 17.028 2.608) 19.233 17.105 ( 4.751 22.312 -13.283) 26.397 17.875 ( 0.245 9.073 -0.898) 9.120 18.100 ( -2.822 3.516 1.489) 4.748 18.621 ( 2.346 18.409 1.109) 18.591 20.070 ( 0.280 3.560 -0.082) 3.572 20.811 ( -5.604 -7.653 -0.577) 9.503 20.872 ( -0.370 -4.185 0.481) 4.228 21.138 ( -0.255 -3.210 -1.021) 3.379 21.996 ( 4.989 -12.472 -0.940) 13.466 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 12.759 24.735 2.550) 27.948 3.485 ( 5.338 14.971 14.697) 21.648 5.126 ( 1.524 28.374 -3.394) 28.617 5.530 ( -1.352 11.292 5.395) 12.587 7.826 ( -2.543 1.842 -6.182) 6.933 7.878 ( 2.766 4.187 -0.568) 5.050 8.258 ( -0.586 2.589 -0.837) 2.783 9.035 ( -6.220 -17.409 -1.232) 18.528 9.098 ( -4.053 -20.346 5.994) 21.594 9.439 ( -19.388 -18.329 5.508) 27.243 9.777 ( 14.982 -0.201 1.718) 15.082 10.200 ( 2.501 -23.873 0.152) 24.004 11.128 ( 4.571 0.582 -5.886) 7.475 11.242 ( 1.970 -11.805 -1.851) 12.111 11.727 ( -7.778 12.283 2.617) 14.772 12.125 ( 7.071 -1.728 5.556) 9.157 13.062 ( -9.611 8.586 -10.430) 16.579 13.411 ( 7.440 5.269 3.967) 9.942 14.696 ( -11.037 -8.012 -2.533) 13.872 15.025 ( 19.759 -4.034 0.508) 20.173 15.982 ( -6.274 19.697 2.690) 20.847 17.233 ( -3.420 12.662 -7.641) 15.179 18.007 ( -2.106 1.528 2.699) 3.749 18.168 ( 11.356 13.571 -3.667) 18.072 18.883 ( 4.021 19.094 2.926) 19.731 20.079 ( -1.935 0.163 -0.969) 2.170 20.593 ( -5.675 -12.361 1.980) 13.745 20.879 ( 0.962 0.829 0.628) 1.416 21.084 ( -1.130 -3.391 -1.023) 3.718 21.913 ( 0.663 -11.028 -3.648) 11.635 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.571 ( 23.534 19.759 4.050) 30.995 3.835 ( 7.198 21.795 6.205) 23.777 5.080 ( -6.566 -11.111 0.922) 12.939 5.875 ( 2.895 33.177 3.066) 33.444 7.773 ( -1.328 -0.392 -5.086) 5.271 7.943 ( -2.267 8.382 -1.800) 8.868 8.245 ( -3.035 0.541 1.533) 3.443 8.697 ( -9.770 -26.942 2.480) 28.765 8.820 ( -10.478 -11.702 -4.007) 16.211 9.000 ( -6.602 -16.887 3.990) 18.566 9.947 ( 0.739 -14.950 -6.266) 16.227 10.169 ( 16.158 1.871 8.125) 18.182 11.174 ( 3.746 -7.075 -3.873) 8.893 11.230 ( 7.525 -0.303 0.760) 7.570 11.684 ( -13.582 13.872 3.554) 19.736 12.309 ( 13.179 -6.252 5.602) 15.626 12.851 ( -16.368 8.098 -10.129) 20.883 13.587 ( 6.784 3.201 0.295) 7.507 14.415 ( -9.002 -9.743 -3.417) 13.699 15.299 ( 12.977 -1.828 1.571) 13.199 16.167 ( 4.067 18.436 2.866) 19.096 17.216 ( -4.405 8.244 -5.159) 10.676 17.917 ( -5.476 -5.573 2.451) 8.189 18.570 ( 14.914 16.147 -1.153) 22.011 19.136 ( 0.598 16.905 3.693) 17.314 19.984 ( -2.649 -6.538 -2.790) 7.586 20.428 ( -3.699 -7.769 3.818) 9.414 20.921 ( 2.032 1.580 0.625) 2.649 21.031 ( -0.719 -2.408 -1.021) 2.713 21.768 ( -2.397 -9.001 -4.868) 10.510 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.073 ( 11.779 12.054 2.684) 17.066 4.292 ( 12.245 26.379 0.890) 29.096 4.834 ( -7.884 -10.413 3.405) 13.498 6.217 ( 5.668 18.471 3.002) 19.553 7.647 ( -10.390 -13.273 -0.371) 16.860 7.835 ( -9.853 -4.306 1.231) 10.823 8.186 ( -8.222 -2.024 -1.062) 8.533 8.347 ( 0.435 -3.867 -2.838) 4.817 8.622 ( 1.487 -8.853 -2.074) 9.214 8.858 ( 2.054 -12.103 1.830) 12.411 9.795 ( 0.666 -5.008 -6.052) 7.884 10.507 ( 11.912 3.998 5.039) 13.537 11.168 ( 3.680 -3.858 -1.617) 5.571 11.381 ( 7.694 -0.219 2.011) 7.956 11.586 ( -15.673 14.754 -0.001) 21.525 12.315 ( -10.904 -8.231 2.049) 13.815 12.750 ( 7.368 4.299 -2.015) 8.766 13.714 ( 4.931 3.033 -2.023) 6.133 14.160 ( -6.473 -10.145 -2.993) 12.400 15.443 ( 2.608 3.624 0.568) 4.501 16.495 ( 13.101 11.947 2.121) 17.856 17.223 ( -0.482 6.958 -2.325) 7.352 17.749 ( -7.058 -8.339 1.285) 11.001 18.925 ( 9.327 10.231 3.375) 14.250 19.187 ( -10.738 4.429 1.525) 11.716 19.937 ( 4.814 0.774 -2.505) 5.482 20.334 ( -2.144 -5.914 2.863) 6.912 20.980 ( 1.737 1.446 0.010) 2.260 21.009 ( 1.081 -0.445 -0.746) 1.387 21.617 ( -2.472 -6.198 -4.097) 7.830 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.262 ( -13.823 10.798 3.495) 17.886 4.426 ( 6.236 -10.130 -0.523) 11.908 4.895 ( -1.858 25.166 1.585) 25.284 6.537 ( 17.989 4.698 1.715) 18.671 7.094 ( -22.265 -27.756 3.902) 35.796 7.776 ( 3.999 -2.662 2.642) 5.483 7.998 ( -7.552 -1.022 -4.050) 8.630 8.406 ( 2.869 -0.649 1.189) 3.172 8.635 ( 7.894 -4.834 -3.616) 9.938 8.827 ( 4.259 -3.646 -2.254) 6.042 9.851 ( 7.301 8.390 -3.885) 11.781 10.670 ( -1.994 4.864 1.334) 5.423 11.167 ( -6.644 -6.259 -0.386) 9.136 11.265 ( -14.036 7.555 -1.036) 15.974 11.638 ( 6.933 8.795 -2.258) 11.424 12.067 ( -6.942 -7.736 5.775) 11.890 12.966 ( 12.307 -2.249 1.761) 12.634 13.791 ( 1.467 3.210 -3.069) 4.677 13.980 ( -0.632 -7.808 -1.989) 8.082 15.488 ( -2.980 6.520 -0.231) 7.172 16.820 ( 10.869 7.622 -1.120) 13.322 17.299 ( 1.698 2.688 2.486) 4.036 17.555 ( -3.847 -6.819 -0.719) 7.862 18.936 ( -14.346 -5.916 -1.283) 15.570 19.112 ( 0.451 2.663 8.250) 8.681 20.092 ( 4.966 10.450 -0.123) 11.570 20.267 ( 1.553 -6.456 -2.156) 6.982 20.993 ( -0.245 1.080 -0.350) 1.161 21.042 ( 1.527 -0.026 -1.628) 2.233 21.549 ( 2.399 -2.227 -1.399) 3.559 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.929 ( -25.855 -3.060 10.328) 28.010 4.507 ( 0.961 2.050 -2.639) 3.477 4.956 ( -12.131 12.312 -2.535) 17.469 6.462 ( -19.215 -18.711 2.314) 26.919 7.031 ( 30.442 -1.476 2.214) 30.558 7.853 ( -3.605 -1.897 0.185) 4.078 7.955 ( 11.713 3.230 2.644) 12.435 8.388 ( 0.530 -8.708 -0.219) 8.727 8.714 ( 8.316 -3.134 -3.588) 9.584 8.923 ( 6.325 6.388 -3.922) 9.808 10.111 ( 7.276 14.589 -0.334) 16.306 10.378 ( -31.628 3.127 -5.743) 32.297 10.968 ( -0.129 -2.396 3.197) 3.997 11.297 ( 1.516 4.236 1.493) 4.740 11.788 ( -1.219 7.030 -0.981) 7.202 11.994 ( 4.925 -7.300 3.635) 9.527 13.070 ( 4.746 -9.703 0.343) 10.807 13.776 ( -3.102 2.542 -1.567) 4.306 14.018 ( 9.566 -0.182 -1.106) 9.632 15.477 ( -4.796 5.140 -0.283) 7.036 16.891 ( -10.515 5.367 -5.563) 13.051 17.315 ( 6.166 -9.330 4.590) 12.089 17.602 ( 8.007 4.859 -1.738) 9.526 18.642 ( -9.670 -7.975 0.973) 12.572 19.087 ( -9.098 -2.846 10.004) 13.819 20.192 ( -0.057 -4.625 2.083) 5.073 20.312 ( 6.901 10.691 -8.552) 15.332 20.983 ( -1.742 0.428 -1.285) 2.207 21.038 ( 0.180 -0.059 -0.712) 0.737 21.639 ( 8.442 0.418 -0.037) 8.452 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -12.522 13.108 21.797) 28.350 3.095 ( -8.505 26.004 3.054) 27.530 5.271 ( -28.979 24.888 -5.417) 38.581 5.423 ( -0.425 0.723 6.966) 7.017 7.590 ( 0.460 -2.659 -4.333) 5.105 7.961 ( 0.823 -3.859 -0.580) 3.989 8.181 ( -2.972 -0.111 0.994) 3.136 8.773 ( 14.004 -10.656 6.576) 18.786 9.087 ( 18.036 -15.002 4.977) 23.982 9.626 ( 5.305 -7.576 -4.665) 10.359 10.125 ( 2.494 -8.365 6.013) 10.599 10.598 ( -7.185 -7.168 -7.675) 12.724 10.882 ( 2.683 8.735 -5.857) 10.854 11.222 ( 13.578 -0.967 -0.255) 13.615 12.015 ( -2.477 14.414 -1.102) 14.667 12.087 ( -15.101 -11.289 10.088) 21.384 12.375 ( 11.801 0.620 -1.920) 11.973 13.682 ( -8.027 3.007 -2.988) 9.077 14.481 ( -1.517 -13.900 -0.481) 13.991 15.304 ( 10.059 6.070 -2.974) 12.119 16.193 ( -16.839 12.924 1.924) 21.313 17.138 ( -7.362 6.128 -9.575) 13.544 17.976 ( 0.097 0.665 1.383) 1.537 18.184 ( -3.631 8.642 0.266) 9.378 18.687 ( -9.060 11.207 4.259) 15.027 20.013 ( 1.901 -2.468 -0.227) 3.124 20.887 ( -0.071 0.493 -0.382) 0.628 20.965 ( 3.559 4.147 -4.143) 6.857 21.098 ( 0.836 -3.098 -3.236) 4.558 21.754 ( 5.895 -13.801 1.738) 15.108 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -5.334 12.884 19.943) 24.335 3.218 ( -13.436 27.697 2.729) 30.905 5.028 ( -26.278 42.178 -3.833) 49.842 5.530 ( 5.992 -5.057 4.691) 9.137 7.569 ( 2.445 0.253 -2.828) 3.747 7.941 ( 3.042 -6.121 -4.150) 7.997 8.174 ( -0.812 3.142 3.487) 4.763 8.908 ( 11.187 -13.012 5.070) 17.894 9.217 ( 10.527 -17.652 5.650) 21.315 9.545 ( 4.446 -11.903 -4.599) 13.513 10.098 ( 4.076 -17.089 -1.157) 17.607 10.360 ( -10.291 -5.953 3.957) 12.530 11.031 ( 8.289 5.306 -6.630) 11.867 11.446 ( 10.631 5.004 -1.980) 11.916 11.620 ( -20.011 -14.383 -0.049) 24.644 12.110 ( -4.542 8.504 4.976) 10.849 12.701 ( 17.478 9.180 1.541) 19.802 13.531 ( -10.791 2.454 -2.207) 11.284 14.380 ( 4.435 -9.377 -0.610) 10.391 15.397 ( -3.051 -2.577 -0.382) 4.012 16.127 ( -7.325 17.248 0.167) 18.740 17.048 ( -4.154 11.461 -11.217) 16.566 17.967 ( -1.705 -0.676 1.711) 2.508 18.240 ( -4.293 12.433 0.773) 13.176 18.697 ( -7.019 16.338 2.287) 17.928 20.032 ( 2.131 0.259 -0.230) 2.159 20.870 ( -0.510 -1.239 -0.075) 1.342 20.970 ( -1.807 -5.185 -6.691) 8.655 21.081 ( 3.085 -1.553 -0.848) 3.556 21.750 ( 7.292 -12.921 3.249) 15.188 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( -18.420 20.594 -0.065) 27.630 3.378 ( -0.181 13.881 18.155) 22.855 5.157 ( -5.365 34.075 -6.302) 35.065 5.603 ( -0.795 10.353 5.563) 11.780 7.667 ( 6.921 4.302 -0.577) 8.169 7.889 ( 0.943 -3.916 -6.052) 7.270 8.232 ( 0.677 3.492 1.889) 4.027 8.966 ( 9.722 -17.132 3.894) 20.080 9.157 ( 1.371 -14.298 -0.809) 14.387 9.525 ( 3.583 -11.802 8.566) 15.017 9.925 ( 3.740 -20.572 -10.287) 23.303 10.148 ( -12.108 -9.993 12.068) 19.801 11.076 ( -2.641 -2.464 -8.914) 9.618 11.212 ( -4.557 -16.083 1.369) 16.772 11.691 ( 8.577 10.695 -1.742) 13.820 12.116 ( -3.681 4.661 1.698) 6.177 13.107 ( 13.569 10.913 5.471) 18.252 13.352 ( -10.595 4.403 -4.412) 12.293 14.446 ( 11.879 -5.592 -0.328) 13.134 15.171 ( -14.277 -6.927 -0.894) 15.894 16.223 ( -4.763 16.597 2.149) 17.400 17.143 ( 5.371 17.963 -11.290) 21.886 17.945 ( -0.622 0.791 0.590) 1.166 18.246 ( -7.700 7.216 2.081) 10.756 18.817 ( -1.690 20.703 1.076) 20.800 20.086 ( 2.047 2.618 -0.280) 3.335 20.768 ( -3.342 -13.487 -3.505) 14.330 20.877 ( -1.311 1.127 0.507) 1.801 21.093 ( 1.124 -2.678 -1.587) 3.310 21.768 ( 6.594 -11.566 1.518) 13.400 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -3.573 15.201 0.821) 15.637 3.646 ( 2.923 17.230 11.378) 20.853 5.206 ( -1.787 -6.584 -2.982) 7.445 5.902 ( -1.752 45.748 1.730) 45.814 7.818 ( 2.656 2.773 -6.283) 7.363 7.867 ( 3.309 4.128 -0.235) 5.296 8.277 ( 0.828 2.555 -0.065) 2.686 8.880 ( -0.207 -24.115 1.690) 24.175 9.007 ( -1.835 -11.807 -2.082) 12.129 9.544 ( -1.560 -15.883 12.607) 20.338 9.670 ( -4.596 -5.613 -3.262) 7.954 9.944 ( -0.441 -15.374 5.130) 16.213 10.924 ( 3.470 -14.917 0.190) 15.316 11.104 ( 1.827 -6.510 -4.169) 7.944 11.890 ( 2.495 10.547 0.461) 10.848 12.120 ( -0.707 2.758 -0.227) 2.856 13.196 ( -7.429 4.488 -5.103) 10.068 13.426 ( 5.667 10.513 2.519) 12.206 14.649 ( 15.803 -6.111 -0.718) 16.959 14.842 ( -12.837 -5.559 0.130) 13.990 16.299 ( -6.449 16.460 2.985) 17.928 17.341 ( 1.799 13.277 -7.930) 15.569 18.047 ( 9.875 8.367 -1.411) 13.019 18.152 ( -8.680 0.911 2.041) 8.963 19.044 ( 2.072 21.797 1.107) 21.923 20.108 ( -1.805 -0.576 -2.058) 2.798 20.557 ( -3.240 -12.766 1.320) 13.237 20.886 ( 0.040 1.501 1.086) 1.853 21.056 ( -0.422 -3.465 -1.411) 3.765 21.748 ( 3.449 -10.330 -1.158) 10.952 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( 16.808 10.865 2.031) 20.116 3.952 ( 5.956 19.896 4.022) 21.154 5.017 ( -3.376 -17.056 -1.217) 17.429 6.327 ( -4.721 44.323 1.263) 44.591 7.796 ( -2.155 2.886 -5.491) 6.567 8.002 ( 3.654 8.213 -2.312) 9.282 8.310 ( -1.294 2.704 0.240) 3.007 8.552 ( -6.186 -26.808 0.479) 27.517 8.837 ( -4.940 -9.817 -1.532) 11.096 9.070 ( -19.274 -21.490 1.554) 28.909 9.791 ( 0.476 -7.773 2.570) 8.201 9.954 ( 15.387 -0.184 9.721) 18.201 10.902 ( 11.390 -16.083 -1.406) 19.758 11.100 ( 5.185 -3.605 0.555) 6.339 12.008 ( -4.037 11.503 3.062) 12.570 12.137 ( 2.995 -0.119 -0.204) 3.004 13.071 ( -8.589 5.498 -11.688) 15.511 13.577 ( 1.056 6.583 3.861) 7.705 14.486 ( -11.106 -9.014 -2.686) 14.554 14.985 ( 18.476 -2.413 2.884) 18.855 16.388 ( -4.012 16.873 2.877) 17.580 17.356 ( -5.177 7.310 -5.087) 10.301 18.000 ( -8.477 -3.668 2.227) 9.501 18.408 ( 18.320 11.635 -2.530) 21.849 19.310 ( 2.371 20.602 1.407) 20.785 19.949 ( -5.748 -10.986 -5.779) 13.679 20.457 ( -2.264 -4.618 7.114) 8.778 20.919 ( 0.909 1.873 1.411) 2.515 21.008 ( -0.377 -2.676 -1.175) 2.946 21.670 ( 0.158 -8.687 -3.115) 9.230 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.836 ( 22.882 4.936 0.714) 23.419 4.315 ( 13.289 20.380 -0.752) 24.342 4.775 ( -3.470 -17.404 0.258) 17.748 6.584 ( -11.246 32.517 1.383) 34.435 7.718 ( -7.930 -1.152 -0.372) 8.022 7.997 ( -11.713 -12.483 -2.061) 17.241 8.191 ( -4.341 -12.858 -5.276) 14.561 8.301 ( -1.291 6.183 -0.736) 6.359 8.596 ( -5.194 -6.850 -1.341) 8.700 8.764 ( -2.192 -10.069 6.027) 11.938 9.713 ( 0.304 -4.128 -0.191) 4.144 10.329 ( 16.629 3.238 7.014) 18.336 10.967 ( 11.997 -9.742 -1.773) 15.556 11.203 ( 9.464 -4.720 3.344) 11.092 11.973 ( -12.425 8.370 4.664) 15.690 12.248 ( 6.739 -1.309 -0.631) 6.894 12.860 ( -12.010 5.562 -11.632) 17.620 13.677 ( 2.456 4.417 2.389) 5.590 14.203 ( -10.021 -8.080 -1.634) 12.976 15.281 ( 15.600 -1.732 1.597) 15.777 16.537 ( 1.257 14.558 2.498) 14.824 17.316 ( -3.595 6.621 -2.925) 8.082 17.814 ( -8.501 -6.566 1.403) 10.833 18.796 ( 15.932 6.802 -1.226) 17.366 19.417 ( -11.145 2.121 0.840) 11.376 19.802 ( 7.030 1.354 -8.286) 10.951 20.416 ( -5.340 -1.995 10.205) 11.689 20.969 ( 1.867 0.978 0.915) 2.298 20.988 ( 0.265 0.480 -0.129) 0.564 21.558 ( -1.311 -6.644 -3.737) 7.735 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.118 ( 12.813 -9.823 -4.182) 16.678 4.571 ( -8.560 1.960 2.385) 9.099 4.849 ( 25.282 10.281 0.064) 27.293 6.626 ( -11.577 17.959 -0.711) 21.379 7.279 ( -25.776 -22.229 3.034) 34.172 7.752 ( -1.723 -1.623 -0.332) 2.390 8.011 ( -2.400 -5.985 -4.926) 8.115 8.366 ( 0.368 -2.202 -0.107) 2.235 8.538 ( -0.797 2.735 0.041) 2.849 8.764 ( 3.815 2.723 2.414) 5.272 9.780 ( 7.074 5.526 0.357) 8.984 10.626 ( 10.973 2.337 2.806) 11.565 11.078 ( 8.116 -4.405 0.098) 9.235 11.340 ( 9.708 -7.799 2.703) 12.743 11.811 ( -17.080 7.417 -0.236) 18.622 12.173 ( -9.534 -4.645 -1.829) 10.762 12.801 ( 5.159 4.197 -3.234) 7.395 13.776 ( 2.840 3.828 0.901) 4.851 13.975 ( -6.822 -5.610 -0.819) 8.871 15.483 ( 7.701 0.034 0.271) 7.706 16.744 ( 6.951 9.640 1.519) 11.982 17.348 ( 0.183 6.735 0.175) 6.740 17.595 ( -8.982 -6.956 -0.115) 11.361 19.039 ( 5.120 1.650 -10.861) 12.121 19.112 ( -9.892 -13.530 9.697) 19.363 20.004 ( 9.975 10.851 -10.229) 17.941 20.356 ( -7.433 0.374 12.152) 14.249 20.991 ( 1.274 -0.261 -0.226) 1.320 21.031 ( 0.392 2.953 0.962) 3.131 21.475 ( 0.935 -4.094 -2.453) 4.863 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.083 ( 4.434 -20.802 0.489) 21.275 4.503 ( -7.270 9.148 -0.386) 11.691 5.206 ( 1.240 0.602 -0.014) 1.378 6.631 ( 6.310 -8.982 0.962) 11.019 6.726 ( -18.989 5.058 -1.101) 19.682 7.810 ( 7.523 1.320 -0.513) 7.655 7.920 ( -3.638 1.248 0.954) 3.963 8.281 ( -0.380 -10.746 -0.453) 10.763 8.575 ( 2.204 1.926 0.038) 2.927 8.944 ( 5.111 13.371 -0.077) 14.315 10.031 ( 11.328 8.959 0.571) 14.454 10.776 ( -3.054 4.605 -0.767) 5.578 11.011 ( -10.634 -8.619 0.805) 13.712 11.335 ( 0.284 -2.388 -0.030) 2.405 11.722 ( 6.631 0.420 -2.113) 6.973 11.974 ( -8.626 -2.800 1.839) 9.254 12.921 ( 4.954 -1.895 -0.175) 5.307 13.825 ( -0.527 1.135 0.099) 1.255 13.915 ( 2.934 2.917 -0.002) 4.137 15.546 ( -0.011 -0.535 -0.004) 0.535 16.965 ( 7.975 6.763 -0.623) 10.475 17.293 ( -11.028 -4.681 0.653) 11.998 17.529 ( 5.339 4.980 0.321) 7.308 18.725 ( -11.328 -10.445 -4.504) 16.053 19.138 ( 1.748 -8.740 6.145) 10.826 20.132 ( 2.296 1.042 -6.715) 7.172 20.376 ( -1.397 11.432 4.770) 12.466 21.000 ( -0.388 -0.172 -0.243) 0.488 21.053 ( -0.824 2.311 0.631) 2.534 21.501 ( 6.112 -1.744 -0.496) 6.375 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( -3.158 12.291 8.390) 15.213 3.609 ( -13.904 23.177 8.776) 28.416 4.990 ( 21.135 -8.922 0.071) 22.941 6.294 ( -37.900 20.209 2.003) 42.998 7.575 ( -2.585 0.078 0.589) 2.653 7.936 ( 0.939 -3.207 -0.224) 3.349 8.211 ( -2.294 -7.142 3.080) 8.109 8.496 ( 13.127 -1.834 2.485) 13.485 8.650 ( 12.904 -14.986 2.062) 19.884 9.413 ( 5.539 -8.604 -7.889) 12.921 10.064 ( -3.994 -8.021 -2.228) 9.233 10.604 ( -0.451 -2.267 -11.613) 11.841 10.756 ( 15.208 0.833 4.431) 15.862 11.157 ( -1.567 10.331 -2.974) 10.864 12.051 ( 10.744 -0.962 1.033) 10.836 12.203 ( 1.460 15.418 1.823) 15.594 12.371 ( -15.791 -12.647 7.551) 21.594 13.804 ( -5.848 2.077 -4.285) 7.542 14.381 ( -2.861 -13.108 0.066) 13.417 15.181 ( 10.146 8.226 -3.018) 13.406 16.568 ( -14.035 7.204 -1.185) 15.820 17.291 ( -9.007 4.893 -4.343) 11.133 17.918 ( 4.428 -4.751 1.915) 6.771 18.309 ( 0.258 8.366 2.796) 8.824 18.976 ( -4.597 10.143 12.045) 16.404 19.890 ( 4.492 -6.197 -3.903) 8.592 20.884 ( 0.880 5.113 -5.935) 7.883 20.994 ( -3.251 0.891 -1.079) 3.539 21.033 ( -0.452 -1.878 -3.227) 3.761 21.554 ( 4.410 -10.189 1.828) 11.252 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( -5.863 11.794 17.152) 21.626 3.743 ( -10.360 32.653 -0.520) 34.261 5.212 ( 13.462 -8.267 -1.856) 15.907 5.916 ( -27.936 23.998 0.915) 36.840 7.540 ( -0.801 0.304 0.461) 0.973 7.886 ( -2.432 -2.271 0.182) 3.332 8.199 ( 2.255 -1.709 3.736) 4.687 8.657 ( 7.468 -11.155 3.388) 13.845 8.751 ( 20.270 -19.130 1.387) 27.906 9.314 ( 2.997 -12.503 -9.219) 15.821 9.909 ( -0.684 -12.228 -3.572) 12.757 10.530 ( -6.319 4.291 -1.243) 7.739 10.946 ( 4.008 2.161 1.037) 4.670 11.322 ( 9.309 10.081 -2.335) 13.919 11.861 ( -22.383 -14.150 1.549) 26.526 12.286 ( -1.675 3.108 7.011) 7.850 12.456 ( 18.447 10.605 -1.402) 21.325 13.691 ( -7.082 2.058 -3.404) 8.123 14.234 ( 0.533 -11.297 1.103) 11.364 15.384 ( 4.487 4.213 -0.764) 6.202 16.420 ( -10.455 11.139 -2.709) 15.515 17.175 ( -6.378 6.104 -5.404) 10.351 17.927 ( 2.589 -6.700 1.345) 7.307 18.441 ( -1.735 13.089 3.759) 13.728 19.033 ( -9.300 15.950 6.917) 19.716 19.920 ( 7.782 -5.351 -2.515) 9.773 20.835 ( -2.417 -4.585 -7.813) 9.376 20.950 ( -1.956 0.019 -1.687) 2.583 21.019 ( 2.131 -0.730 -0.730) 2.368 21.556 ( 4.903 -8.669 3.681) 10.618 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( -8.568 12.153 12.605) 19.493 3.770 ( -17.342 24.904 1.516) 30.385 5.229 ( 1.898 -8.592 -4.573) 9.917 5.945 ( -3.551 34.045 -0.005) 34.230 7.595 ( 4.921 3.235 0.671) 5.928 7.831 ( -1.202 -0.924 -1.018) 1.826 8.246 ( 1.655 -1.207 1.579) 2.586 8.658 ( 9.954 -19.023 2.146) 21.577 8.889 ( 12.217 -14.085 0.135) 18.646 9.240 ( 9.568 -13.421 -4.170) 17.002 9.734 ( -3.436 -12.213 -1.118) 12.736 10.414 ( -13.732 1.744 7.041) 15.531 11.001 ( 2.050 0.132 -2.732) 3.418 11.316 ( -21.740 -16.943 1.929) 27.630 11.592 ( 11.744 9.733 -3.489) 15.646 12.258 ( -6.434 2.452 1.261) 7.000 12.935 ( 21.259 12.054 1.080) 24.463 13.553 ( -9.839 2.272 -1.729) 10.245 14.213 ( 7.448 -7.865 1.287) 10.909 15.334 ( -10.312 -3.250 0.118) 10.813 16.441 ( -2.209 15.035 -1.017) 15.230 17.171 ( 1.243 11.181 -7.182) 13.347 17.904 ( 2.155 -6.364 0.478) 6.736 18.499 ( -8.142 9.351 4.349) 13.139 19.098 ( -5.990 19.876 2.304) 20.887 20.011 ( 7.587 -1.889 -1.565) 7.974 20.655 ( -2.806 -12.407 -6.249) 14.172 20.918 ( -1.741 1.116 0.521) 2.132 21.038 ( 1.416 -1.488 -1.455) 2.517 21.586 ( 4.904 -7.297 3.422) 9.434 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( -19.135 8.753 1.199) 21.076 3.883 ( -2.743 20.189 8.065) 21.913 5.095 ( -0.857 -14.661 -4.697) 15.418 6.351 ( 3.833 42.441 -1.551) 42.642 7.732 ( 5.447 2.709 -3.879) 7.215 7.848 ( 3.156 3.890 0.479) 5.032 8.248 ( 2.999 -4.599 -0.132) 5.492 8.624 ( 5.199 -18.191 -1.007) 18.946 8.888 ( 2.332 -9.227 -2.388) 9.813 9.293 ( 11.901 -17.362 0.499) 21.055 9.611 ( 0.688 -5.000 7.033) 8.657 10.150 ( -20.637 -3.583 9.143) 22.854 10.850 ( -12.763 -17.175 2.567) 21.551 10.999 ( 1.397 -2.413 -2.562) 3.786 11.865 ( 10.725 8.604 -2.941) 14.060 12.171 ( -4.369 1.581 -2.659) 5.353 13.364 ( 4.741 9.747 -9.569) 14.459 13.397 ( -1.533 4.530 8.825) 10.038 14.338 ( 13.207 -5.721 1.429) 14.464 15.044 ( -16.048 -4.858 0.181) 16.768 16.547 ( -3.281 13.201 1.917) 13.737 17.339 ( 6.815 11.930 -7.194) 15.509 17.918 ( 6.867 -2.144 -1.404) 7.330 18.400 ( -13.098 3.993 3.789) 14.208 19.255 ( -0.813 21.682 -0.635) 21.706 20.065 ( 2.003 -5.925 -3.804) 7.320 20.475 ( -0.439 -9.924 0.356) 9.940 20.918 ( -0.738 1.691 1.580) 2.429 21.019 ( -0.035 -2.542 -1.209) 2.815 21.605 ( 3.101 -6.292 1.608) 7.197 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( -1.593 4.876 1.169) 5.261 4.092 ( 0.977 17.083 1.877) 17.214 4.869 ( -2.104 -18.286 -3.915) 18.818 6.815 ( 0.285 40.989 -0.920) 41.000 7.792 ( 2.590 3.343 -5.567) 6.990 7.951 ( 5.040 -0.555 -3.097) 5.941 8.309 ( 6.440 -0.911 1.381) 6.649 8.438 ( -6.053 -12.482 -2.069) 14.026 8.787 ( -1.649 -6.813 -3.426) 7.802 9.138 ( -10.128 -21.001 0.122) 23.316 9.790 ( 11.556 1.036 14.564) 18.621 9.859 ( -10.605 -3.922 8.621) 14.219 10.578 ( 1.004 -18.060 0.685) 18.100 11.001 ( 2.727 -2.264 1.015) 3.687 12.068 ( 3.951 7.307 -1.587) 8.457 12.141 ( 2.000 1.903 -3.394) 4.375 13.203 ( -9.807 3.184 -7.071) 12.503 13.651 ( 4.039 8.489 3.001) 9.868 14.492 ( 4.795 -6.557 -0.591) 8.145 14.797 ( -2.749 -2.164 3.004) 4.611 16.618 ( -3.772 11.435 2.498) 12.297 17.444 ( -0.711 4.716 -3.929) 6.179 18.109 ( 7.602 3.877 -6.718) 10.861 18.231 ( -3.462 1.119 4.901) 6.104 19.477 ( 2.785 20.841 -3.026) 21.243 19.877 ( -5.777 -15.874 -5.779) 17.853 20.475 ( 2.039 -1.432 7.209) 7.628 20.938 ( 0.034 0.609 1.675) 1.782 20.990 ( -0.409 -0.405 0.133) 0.591 21.580 ( 0.258 -5.265 -0.555) 5.300 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( 17.227 1.289 0.787) 17.293 4.222 ( 5.386 -2.865 -5.034) 7.909 4.698 ( -0.598 -2.392 -1.302) 2.788 7.088 ( -8.757 26.219 -0.904) 27.657 7.802 ( 0.609 -2.375 -5.371) 5.904 7.931 ( -4.801 -5.956 -1.187) 7.741 8.259 ( -5.730 2.034 -3.550) 7.040 8.392 ( -2.645 3.980 -0.283) 4.788 8.597 ( -8.997 -10.415 -6.151) 15.075 8.775 ( -3.482 -9.996 9.458) 14.195 9.753 ( -5.287 -1.151 7.729) 9.435 10.103 ( 14.041 -1.216 8.278) 16.345 10.568 ( 15.982 -13.645 -0.141) 21.014 11.069 ( 5.088 -1.244 4.330) 6.796 12.119 ( 0.840 0.359 -3.178) 3.306 12.233 ( 1.181 7.206 2.764) 7.807 13.009 ( -9.814 2.261 -11.984) 15.654 13.752 ( -1.358 5.711 3.520) 6.845 14.315 ( -11.311 -5.198 -0.156) 12.449 14.982 ( 16.695 -1.381 2.657) 16.961 16.683 ( -1.685 8.445 2.256) 8.902 17.423 ( -3.465 4.539 -1.717) 5.963 17.942 ( -11.655 -2.495 -0.858) 11.950 18.520 ( 18.929 2.452 -2.786) 19.289 19.538 ( -7.665 -19.019 -7.204) 21.735 19.721 ( 3.610 19.940 -3.884) 20.633 20.533 ( -1.190 -0.460 10.881) 10.956 20.939 ( 0.892 -1.460 -0.016) 1.712 21.024 ( 0.145 4.589 3.457) 5.747 21.506 ( -1.905 -4.443 -2.439) 5.414 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.748 ( 12.548 -14.180 -4.324) 19.422 4.299 ( 23.004 -13.590 -1.739) 26.775 4.789 ( 1.673 15.934 -1.683) 16.109 6.994 ( -14.986 -1.501 -2.726) 15.306 7.558 ( -21.055 -5.766 -4.106) 22.213 7.798 ( -6.280 5.205 -0.266) 8.161 8.040 ( -7.009 -2.236 1.655) 7.541 8.349 ( -3.848 -6.080 -0.370) 7.204 8.606 ( 4.546 13.528 -3.569) 14.711 8.778 ( 0.422 1.617 6.567) 6.776 9.767 ( 1.295 4.471 7.279) 8.640 10.350 ( 18.763 -8.523 -0.996) 20.632 10.777 ( 16.383 -5.786 0.578) 17.384 11.182 ( 4.840 -1.285 6.065) 7.866 12.074 ( -5.662 -1.075 2.662) 6.348 12.281 ( -6.379 4.150 -2.193) 7.920 12.812 ( -4.398 3.233 -10.117) 11.495 13.797 ( 0.044 2.300 3.120) 3.877 14.087 ( -10.576 -1.502 1.102) 10.739 15.267 ( 15.286 -1.095 0.895) 15.351 16.757 ( 2.019 3.427 1.969) 4.438 17.429 ( -1.754 6.800 0.996) 7.093 17.715 ( -10.696 -2.601 -1.656) 11.132 18.796 ( 14.818 -2.753 -4.602) 15.759 19.159 ( -9.864 -18.552 -4.235) 21.434 19.947 ( 5.043 15.926 -7.671) 18.382 20.550 ( -4.420 0.686 12.088) 12.889 20.955 ( 1.999 -0.659 0.273) 2.123 21.102 ( -1.207 6.644 4.637) 8.192 21.416 ( -0.957 -3.991 -2.925) 5.040 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 10.492 -26.054 -4.507) 28.446 4.581 ( 12.695 -4.539 -0.263) 13.485 5.011 ( 9.913 5.681 -0.850) 11.457 6.580 ( -12.610 -19.304 -2.069) 23.150 7.189 ( -21.459 14.143 -3.995) 26.009 7.766 ( -1.986 4.105 -1.382) 4.765 8.031 ( -1.944 7.162 5.365) 9.158 8.198 ( -2.878 -10.047 -0.657) 10.471 8.662 ( -5.583 4.162 3.697) 7.884 8.975 ( 7.674 15.838 -2.097) 17.723 9.951 ( 7.692 4.882 6.501) 11.192 10.583 ( 20.073 -9.480 -3.141) 22.420 10.971 ( 9.968 -1.638 -3.635) 10.736 11.216 ( -2.493 -6.466 5.153) 8.636 11.890 ( -16.413 0.675 1.252) 16.474 12.108 ( -7.810 1.164 -4.649) 9.163 12.849 ( 4.623 2.384 0.056) 5.202 13.818 ( 0.871 -2.040 0.566) 2.289 13.981 ( -4.556 6.183 2.390) 8.044 15.462 ( 7.863 -1.936 -0.059) 8.098 16.851 ( 7.051 -2.462 2.183) 7.780 17.471 ( -7.728 2.381 -0.193) 8.089 17.547 ( -1.882 6.662 0.132) 6.924 18.753 ( -9.001 -10.359 -11.723) 18.048 18.959 ( 8.368 -14.213 4.922) 17.212 20.099 ( 2.373 8.927 -6.376) 11.224 20.559 ( -3.988 5.671 6.960) 9.823 20.990 ( 1.646 0.102 0.836) 1.849 21.134 ( -4.079 4.957 1.834) 6.677 21.401 ( 3.494 -1.618 0.936) 3.963 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 6.399 10.638 2.128) 12.596 3.998 ( 3.720 10.361 6.592) 12.831 4.598 ( 7.872 -2.286 3.318) 8.843 6.993 ( -21.648 3.589 4.086) 22.321 7.623 ( 1.561 -6.638 4.171) 7.994 7.848 ( -0.265 5.417 2.645) 6.034 8.175 ( -2.661 -6.828 1.180) 7.422 8.320 ( 1.554 -9.222 2.600) 9.707 8.506 ( -0.646 0.923 -1.325) 1.739 9.189 ( 4.331 -6.252 -12.326) 14.484 10.073 ( -3.675 -3.086 -7.843) 9.194 10.272 ( 18.763 -8.279 0.690) 20.520 10.659 ( 6.611 8.677 -6.325) 12.610 11.257 ( -0.698 7.212 -5.915) 9.354 11.953 ( 1.135 2.480 4.596) 5.345 12.324 ( 3.461 14.938 0.628) 15.346 12.552 ( -13.516 -14.825 10.871) 22.817 13.879 ( -3.709 0.543 -3.689) 5.260 14.330 ( -5.803 -10.613 -1.034) 12.140 15.086 ( 9.162 9.713 -2.846) 13.652 16.789 ( -6.557 2.605 -3.041) 7.683 17.475 ( -9.689 3.058 -4.525) 11.122 17.801 ( 2.246 -7.855 5.328) 9.753 18.373 ( 4.630 8.864 4.667) 11.036 19.074 ( 12.403 0.722 16.414) 20.586 19.813 ( -7.133 -1.097 -6.327) 9.597 20.865 ( 1.530 1.500 -7.728) 8.020 20.952 ( 1.486 -1.035 -0.935) 2.038 21.170 ( -10.645 3.641 -2.612) 11.550 21.422 ( 3.166 -5.746 1.801) 6.803 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( 2.259 13.043 8.383) 15.668 4.209 ( -6.021 29.500 2.903) 30.248 4.806 ( 19.658 -8.457 -1.173) 21.432 6.573 ( -29.407 5.301 1.787) 29.934 7.614 ( -3.270 -0.148 4.509) 5.572 7.879 ( 6.209 -10.880 2.504) 12.775 8.095 ( 2.326 -6.127 1.613) 6.749 8.269 ( 3.042 -12.922 0.503) 13.284 8.556 ( 5.071 -0.060 0.978) 5.165 9.094 ( 2.045 -9.570 -11.502) 15.102 9.844 ( -5.419 -4.713 -6.257) 9.526 10.556 ( 8.104 6.678 -5.942) 12.066 10.892 ( 9.807 6.244 3.789) 12.228 11.324 ( 2.411 8.941 -3.466) 9.888 12.072 ( -6.945 -5.824 1.413) 9.173 12.151 ( -0.601 -9.569 5.259) 10.936 12.508 ( -1.185 10.796 4.207) 11.647 13.789 ( -5.020 1.623 -3.700) 6.444 14.146 ( -2.253 -11.178 0.945) 11.442 15.334 ( 8.000 9.045 -1.124) 12.128 16.666 ( -9.555 6.747 -3.798) 12.298 17.325 ( -8.119 3.583 -3.425) 9.513 17.786 ( 4.063 -10.385 2.330) 11.392 18.584 ( 2.768 10.482 7.437) 13.148 19.355 ( 1.180 10.130 15.402) 18.473 19.670 ( 2.957 -6.283 -10.527) 12.611 20.787 ( -3.182 -5.213 -9.465) 11.264 20.976 ( 1.232 0.964 -0.373) 1.608 21.029 ( -5.819 1.321 -0.835) 6.025 21.444 ( 3.369 -3.899 2.621) 5.781 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( -4.059 13.593 11.408) 18.204 4.320 ( -14.878 23.630 -0.678) 27.932 4.995 ( 10.124 -8.584 -4.487) 14.011 6.288 ( -9.626 14.503 -1.092) 17.441 7.597 ( -0.411 1.860 2.281) 2.971 7.848 ( 1.925 -10.746 0.867) 10.951 8.169 ( 9.393 -20.074 -0.040) 22.163 8.195 ( 5.558 -0.675 3.298) 6.499 8.651 ( 6.613 -3.282 -0.294) 7.388 8.984 ( 4.258 -9.185 -6.838) 12.217 9.719 ( -4.044 -1.633 -1.806) 4.720 10.630 ( -3.441 5.997 -1.553) 7.086 11.048 ( -1.705 4.670 4.233) 6.530 11.470 ( 4.981 3.128 -1.205) 6.004 11.567 ( -20.683 -13.043 0.481) 24.457 12.317 ( 3.574 -4.034 0.844) 5.455 12.716 ( 14.366 13.921 0.882) 20.024 13.701 ( -5.992 2.330 -1.694) 6.648 14.054 ( 2.639 -8.718 2.126) 9.354 15.449 ( -3.032 2.415 0.294) 3.887 16.609 ( -3.935 11.745 -3.111) 12.771 17.249 ( -3.589 6.809 -3.831) 8.598 17.762 ( 4.367 -10.492 0.551) 11.378 18.717 ( -3.189 6.024 7.941) 10.465 19.428 ( -9.520 15.861 0.420) 18.503 19.757 ( 14.921 -6.147 -0.848) 16.160 20.574 ( -5.387 -9.585 -7.579) 13.354 20.968 ( -2.308 1.429 0.376) 2.741 21.006 ( 0.658 0.119 -0.756) 1.009 21.488 ( 3.403 -2.691 3.247) 5.419 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.886 ( -20.061 6.020 3.892) 21.303 4.254 ( -12.350 20.102 4.179) 23.960 4.901 ( 0.297 -16.629 -6.987) 18.039 6.548 ( 11.701 28.390 -3.401) 30.894 7.651 ( 6.042 -4.680 -2.688) 8.102 7.807 ( 3.720 -4.631 0.133) 5.942 8.082 ( 2.394 -9.902 -0.820) 10.220 8.357 ( 9.031 -4.188 1.851) 10.125 8.726 ( 7.028 -3.435 -0.247) 7.827 8.990 ( 7.915 -8.919 0.102) 11.925 9.646 ( -3.650 1.249 3.936) 5.511 10.505 ( -16.274 -3.326 4.629) 17.243 11.007 ( -16.609 -8.010 3.350) 18.742 11.028 ( -8.670 -3.840 2.438) 9.790 11.707 ( 11.707 6.601 -4.723) 14.246 12.240 ( -4.406 -2.172 -3.943) 6.299 13.172 ( 19.527 11.278 -2.344) 22.671 13.594 ( -8.675 1.934 2.435) 9.216 14.101 ( 9.160 -5.186 2.471) 10.812 15.284 ( -14.616 -1.938 0.634) 14.757 16.698 ( -0.202 10.465 0.394) 10.474 17.309 ( 3.819 9.838 -4.977) 11.668 17.750 ( 6.031 -7.955 -1.055) 10.038 18.672 ( -10.601 1.249 5.843) 12.169 19.458 ( -1.945 14.560 -8.482) 16.962 19.902 ( 5.626 -5.949 1.617) 8.346 20.392 ( -0.267 -7.227 -1.274) 7.343 20.956 ( -1.168 0.946 1.012) 1.812 21.004 ( -0.246 -0.342 0.208) 0.470 21.538 ( 2.219 -1.183 2.642) 3.647 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( -19.386 0.035 0.852) 19.405 4.280 ( -7.876 7.513 -1.156) 10.946 4.700 ( 0.831 -11.223 -4.367) 12.071 7.046 ( 11.613 26.950 -3.234) 29.523 7.675 ( 11.926 -10.737 -7.632) 17.769 7.813 ( -0.704 -2.699 -0.718) 2.880 8.131 ( 9.576 0.775 -2.080) 9.830 8.436 ( 1.394 1.770 1.721) 2.835 8.756 ( -1.447 -1.828 -1.782) 2.935 9.035 ( 3.367 -9.908 3.218) 10.948 9.727 ( 6.498 2.874 11.836) 13.805 10.072 ( -19.302 -17.476 5.290) 26.569 10.648 ( -17.840 -2.463 4.459) 18.553 10.991 ( -1.112 1.092 2.857) 3.254 11.950 ( 12.957 4.012 -4.571) 14.314 12.134 ( -2.824 0.139 -5.059) 5.795 13.353 ( -6.262 2.964 -9.453) 11.720 13.629 ( 7.598 5.366 7.580) 12.000 14.276 ( 12.557 -1.741 2.225) 12.871 14.989 ( -16.305 -1.828 1.903) 16.517 16.762 ( -1.956 4.465 2.278) 5.381 17.447 ( 3.022 5.744 -2.515) 6.961 17.859 ( 14.162 0.447 -4.797) 14.959 18.472 ( -14.845 -1.057 3.160) 15.215 19.490 ( 3.135 -0.294 -16.702) 16.997 19.863 ( -4.501 0.935 4.479) 6.418 20.432 ( 5.765 -1.503 5.888) 8.377 20.942 ( -0.882 -1.231 0.493) 1.592 21.017 ( 0.181 2.030 2.761) 3.432 21.561 ( -0.580 0.429 1.123) 1.335 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -0.415 -2.914 0.469) 2.980 4.039 ( -4.224 -21.766 -8.984) 23.923 4.737 ( 1.551 12.253 -0.891) 12.382 7.236 ( 1.422 -9.207 -4.587) 10.384 7.787 ( -1.877 5.497 -2.482) 6.317 7.891 ( 14.598 13.192 -4.125) 20.104 8.282 ( 4.760 3.350 -4.537) 7.380 8.482 ( -2.426 5.240 3.365) 6.683 8.654 ( -7.926 0.164 -7.981) 11.249 8.815 ( -11.651 -15.492 9.337) 21.516 9.760 ( 0.402 -14.108 3.167) 14.464 10.027 ( 11.163 1.121 16.342) 19.823 10.383 ( -11.543 1.499 1.957) 11.804 11.048 ( 2.197 3.666 4.950) 6.539 12.084 ( 1.094 -0.576 -4.541) 4.707 12.176 ( 10.296 3.515 -2.152) 11.090 13.148 ( -11.465 0.112 -8.289) 14.148 13.801 ( 3.111 1.710 3.277) 4.832 14.445 ( 0.071 2.732 1.103) 2.947 14.801 ( -0.344 -1.459 3.718) 4.008 16.759 ( -1.230 -1.612 2.261) 3.037 17.503 ( -0.847 5.546 0.385) 5.623 18.091 ( 3.295 3.757 -9.068) 10.354 18.250 ( -0.034 -4.337 3.383) 5.500 19.324 ( 0.480 -17.348 -15.274) 23.118 19.911 ( -2.626 15.335 1.174) 15.603 20.556 ( 4.144 -1.392 9.195) 10.181 20.920 ( -0.235 -1.260 0.369) 1.334 21.084 ( 1.658 3.755 5.164) 6.597 21.532 ( -4.183 1.587 -0.876) 4.558 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( 8.557 -16.006 -4.266) 18.645 3.785 ( 12.685 -20.542 -5.054) 24.666 4.905 ( 1.670 16.088 -2.649) 16.390 6.989 ( -5.172 -25.003 -4.954) 26.009 7.795 ( -5.247 7.769 -4.358) 10.338 8.073 ( -15.901 3.596 -0.018) 16.303 8.165 ( -6.371 0.093 0.555) 6.396 8.424 ( -9.449 1.181 0.717) 9.550 8.585 ( 10.527 15.421 -5.956) 19.598 8.799 ( 3.658 -0.844 8.670) 9.448 9.751 ( 11.222 -13.903 0.158) 17.868 10.095 ( -7.216 4.019 8.233) 11.662 10.508 ( 14.421 3.084 3.614) 15.184 11.179 ( 2.851 5.369 6.552) 8.938 12.079 ( 1.298 -1.386 -2.003) 2.760 12.351 ( 5.329 1.754 2.166) 6.014 12.881 ( -10.810 -0.816 -11.887) 16.088 13.822 ( -0.783 -3.255 2.491) 4.173 14.336 ( -13.737 6.055 3.150) 15.339 14.993 ( 15.758 0.047 1.669) 15.846 16.726 ( 1.215 -6.834 1.879) 7.191 17.558 ( -2.284 9.226 2.888) 9.934 17.884 ( -12.700 -0.784 -4.025) 13.346 18.453 ( 17.000 -5.186 -2.772) 17.989 19.035 ( -3.484 -18.049 -12.125) 22.021 20.040 ( -0.188 15.193 -3.316) 15.552 20.640 ( 0.722 -1.285 9.409) 9.524 20.922 ( 1.255 -0.503 0.619) 1.487 21.210 ( 2.969 5.360 8.127) 10.178 21.439 ( -7.122 1.783 -3.017) 7.938 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 7.528 -30.899 -6.621) 32.485 4.040 ( 29.458 -13.549 -0.986) 32.440 5.058 ( 0.367 13.311 -3.137) 13.680 6.533 ( -10.699 -29.113 -4.370) 31.323 7.619 ( -16.233 8.565 -1.935) 18.455 7.913 ( -4.981 4.989 -0.465) 7.065 8.133 ( -4.860 0.716 1.754) 5.216 8.267 ( -9.028 4.767 1.208) 10.280 8.819 ( -3.338 2.526 6.571) 7.790 8.972 ( 9.830 17.722 -3.433) 20.554 9.816 ( 13.782 -17.281 -2.377) 22.232 10.183 ( 6.816 7.909 4.170) 11.243 10.787 ( 11.837 4.509 0.254) 12.669 11.279 ( -1.866 2.202 5.874) 6.545 12.062 ( -1.845 -3.395 3.318) 5.093 12.273 ( -14.587 -1.312 -4.255) 15.252 12.774 ( 5.429 2.061 -5.157) 7.766 13.773 ( 0.174 -5.865 1.334) 6.017 14.213 ( -10.976 8.797 4.149) 14.666 15.264 ( 13.350 0.384 0.228) 13.357 16.697 ( 4.641 -10.783 1.783) 11.874 17.614 ( -6.144 3.738 3.302) 7.913 17.695 ( -5.386 7.720 -2.510) 9.742 18.626 ( 12.536 -8.503 -3.493) 15.545 18.721 ( -5.404 -15.894 -8.829) 18.968 20.150 ( 0.141 10.539 -3.595) 11.136 20.673 ( -1.328 1.068 5.069) 5.348 20.960 ( 2.534 0.528 1.105) 2.814 21.299 ( -7.693 1.396 -4.593) 9.068 21.373 ( 2.398 5.899 10.490) 12.272 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 22.613 -5.732 3.195) 23.546 3.731 ( 23.355 6.342 1.395) 24.241 4.828 ( -14.411 9.548 5.919) 18.272 6.905 ( 18.674 -16.857 4.367) 25.533 7.700 ( -9.640 -1.915 6.101) 11.568 8.030 ( -7.985 -9.629 3.659) 13.033 8.199 ( -7.294 0.676 -2.664) 7.794 8.382 ( -7.920 2.666 5.841) 10.195 8.562 ( -6.912 5.713 -3.509) 9.629 9.007 ( 3.824 -0.571 -14.290) 14.804 9.703 ( 28.283 -0.135 4.604) 28.655 10.266 ( -17.069 -6.812 -9.515) 20.695 10.589 ( 6.666 10.866 -5.875) 14.036 11.296 ( -2.372 5.253 -6.506) 8.692 12.029 ( -0.389 3.058 3.517) 4.677 12.384 ( 4.865 11.487 -1.030) 12.517 12.661 ( -7.879 -13.572 12.549) 20.094 13.865 ( 2.462 -3.146 -2.510) 4.718 14.390 ( -13.167 -7.216 -2.834) 15.280 15.028 ( 7.879 11.509 -2.319) 14.139 16.769 ( 7.169 -2.751 -2.877) 8.200 17.637 ( -10.296 3.925 -5.959) 12.527 17.785 ( -4.927 -9.976 6.959) 13.123 18.386 ( 8.659 10.416 4.582) 14.299 18.822 ( 17.557 -8.018 12.077) 22.768 20.006 ( -11.952 4.448 0.472) 12.762 20.779 ( 2.526 -1.426 -6.754) 7.351 20.934 ( 0.690 1.092 -0.686) 1.462 21.341 ( 2.708 0.862 -1.984) 3.466 21.391 ( -12.762 -0.048 -1.666) 12.871 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( 19.309 1.292 3.831) 19.727 4.285 ( 24.839 16.719 -0.086) 29.941 4.731 ( -11.857 9.780 4.616) 16.048 6.936 ( -4.152 -13.441 3.686) 14.543 7.457 ( -3.187 -17.760 6.725) 19.256 7.812 ( -9.898 -6.054 -1.975) 11.770 8.076 ( -2.951 -2.478 -1.760) 4.236 8.312 ( -0.890 -2.906 4.051) 5.064 8.551 ( -5.964 9.921 1.631) 11.690 8.939 ( -0.082 -4.584 -10.998) 11.915 9.920 ( -8.403 2.245 -9.539) 12.909 10.318 ( 25.394 8.596 2.408) 26.917 10.797 ( 9.196 8.465 -1.472) 12.585 11.297 ( 2.643 3.728 -6.739) 8.143 12.069 ( -0.049 1.738 3.641) 4.035 12.245 ( -13.145 -16.913 2.161) 21.529 12.658 ( -0.983 8.827 6.557) 11.040 13.845 ( -1.213 -0.253 -2.313) 2.624 14.112 ( -7.121 -8.814 -1.778) 11.470 15.284 ( 8.485 11.277 -1.000) 14.148 16.803 ( -1.187 3.122 -3.224) 4.642 17.476 ( -8.322 3.296 -4.357) 9.955 17.660 ( -1.179 -10.940 4.458) 11.872 18.645 ( 5.734 6.496 10.223) 13.401 19.121 ( 20.407 -8.732 3.345) 22.447 19.851 ( -13.363 8.753 1.986) 16.097 20.724 ( -1.238 -4.509 -7.760) 9.060 20.964 ( 1.270 1.824 -0.731) 2.340 21.172 ( -9.999 -0.320 -1.878) 10.178 21.383 ( 2.540 0.155 -0.195) 2.552 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.030 ( 13.248 6.967 5.858) 16.074 4.598 ( -4.077 -4.857 -0.827) 6.395 4.857 ( 7.359 26.536 -0.819) 27.550 6.602 ( -18.530 -2.045 1.772) 18.727 7.327 ( 11.862 -34.464 -1.947) 36.500 7.685 ( -1.127 1.576 5.410) 5.746 8.011 ( 0.346 -2.938 -3.283) 4.420 8.320 ( -2.132 2.993 4.811) 6.054 8.539 ( -1.004 -0.045 -0.140) 1.014 8.840 ( 0.097 -1.966 -6.122) 6.431 9.823 ( -5.322 8.209 -4.130) 10.620 10.671 ( 4.812 8.512 -2.542) 10.103 11.058 ( 8.977 5.552 2.516) 10.851 11.400 ( 7.970 2.072 -3.746) 9.047 11.785 ( -18.843 -15.700 2.534) 24.657 12.133 ( 5.850 -5.479 2.704) 8.459 12.756 ( 0.237 10.542 1.706) 10.682 13.799 ( -3.735 2.736 -1.646) 4.914 13.962 ( -0.535 -7.708 0.615) 7.751 15.486 ( 3.528 6.037 -0.038) 6.992 16.781 ( -5.022 9.062 -2.646) 10.692 17.374 ( -5.867 4.799 -2.616) 8.018 17.580 ( 3.062 -11.824 1.512) 12.307 18.808 ( 2.053 -1.658 11.931) 12.220 19.338 ( 15.190 -7.296 -11.332) 20.307 19.805 ( -7.577 13.765 10.648) 18.981 20.546 ( -6.194 -7.162 -8.800) 12.927 20.993 ( 0.581 1.092 -0.549) 1.353 21.045 ( -4.470 0.971 -0.453) 4.597 21.438 ( 3.144 0.522 1.602) 3.567 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.249 ( -10.993 7.313 4.967) 14.106 4.454 ( 7.113 -7.829 -3.560) 11.160 4.925 ( -19.472 6.319 -1.841) 20.555 6.565 ( 7.734 16.966 -1.483) 18.704 7.183 ( 14.587 -32.892 -6.043) 36.485 7.777 ( 2.657 4.939 4.057) 6.922 7.978 ( 2.071 -5.693 -3.165) 6.835 8.366 ( -0.820 6.726 5.355) 8.637 8.580 ( 7.310 -0.520 1.805) 7.547 8.830 ( 2.291 -1.482 -1.610) 3.167 9.811 ( -6.314 10.757 0.792) 12.498 10.679 ( -8.016 -2.990 0.107) 8.556 11.127 ( -4.733 -10.762 3.583) 12.291 11.250 ( -12.747 -2.810 1.021) 13.093 11.631 ( 1.220 8.910 -1.490) 9.115 12.165 ( 5.243 -7.556 -5.031) 10.483 12.977 ( 12.587 9.670 0.807) 15.894 13.748 ( -5.478 2.108 1.443) 6.044 13.949 ( 5.002 -3.065 1.497) 6.054 15.482 ( -7.773 0.502 0.401) 7.800 16.806 ( -2.412 8.708 0.474) 9.048 17.349 ( -0.473 6.062 -3.059) 6.807 17.553 ( 5.314 -8.354 -0.297) 9.905 18.812 ( -3.076 -6.906 8.003) 11.009 19.376 ( 6.031 -3.390 -17.438) 18.761 19.950 ( -1.362 11.273 12.893) 17.181 20.329 ( -3.241 -6.559 -5.643) 9.240 20.989 ( -1.472 0.173 -0.077) 1.484 21.017 ( -0.528 0.737 1.141) 1.458 21.519 ( 2.903 2.768 1.975) 4.470 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.882 ( -21.512 -9.715 -2.422) 23.728 4.442 ( -16.565 -16.854 -7.270) 24.725 4.665 ( -0.175 14.810 3.606) 15.243 6.933 ( 14.617 -5.701 -3.092) 15.991 7.196 ( 20.281 -0.834 -6.759) 21.394 7.854 ( -1.484 1.307 1.304) 2.369 7.995 ( 7.244 4.359 -5.551) 10.114 8.461 ( 1.932 4.233 2.936) 5.502 8.745 ( 2.508 0.935 1.353) 2.999 8.902 ( 9.081 1.081 8.080) 12.203 9.824 ( -5.891 9.790 3.637) 11.990 10.244 ( -22.206 -24.527 3.304) 33.251 10.957 ( -7.071 2.434 1.670) 7.662 11.121 ( -10.382 3.730 4.459) 11.898 11.753 ( 7.726 3.119 -4.064) 9.270 12.123 ( 0.366 -2.327 -5.680) 6.149 13.273 ( 11.064 3.698 -6.672) 13.439 13.686 ( -3.913 0.305 7.196) 8.196 14.090 ( 10.146 2.334 1.805) 10.567 15.277 ( -15.280 -0.018 1.481) 15.352 16.815 ( -2.379 -2.538 3.224) 4.743 17.454 ( 4.163 8.964 -2.137) 10.112 17.611 ( 9.468 -2.124 -2.465) 10.012 18.678 ( -8.698 -5.936 3.479) 11.090 19.263 ( 1.368 -10.465 -19.103) 21.824 20.047 ( -5.276 10.536 5.182) 12.872 20.327 ( 7.318 -2.381 4.947) 9.149 20.959 ( -1.718 -0.786 0.641) 1.995 21.037 ( 0.843 0.642 2.514) 2.729 21.604 ( 0.629 5.539 1.203) 5.703 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( -14.279 -13.404 -3.153) 19.836 3.897 ( -15.144 -23.216 -8.545) 29.006 4.854 ( 1.544 15.309 0.666) 15.401 6.893 ( 10.456 -29.649 -4.420) 31.748 7.661 ( 16.714 13.282 -4.689) 21.858 7.883 ( 4.297 10.396 -1.570) 11.358 8.181 ( 8.486 8.672 -5.455) 13.303 8.539 ( 1.582 1.056 1.245) 2.273 8.718 ( -2.078 -2.792 2.535) 4.305 9.037 ( -13.328 2.744 6.855) 15.236 9.639 ( -5.469 -19.232 -1.725) 20.069 9.970 ( 2.017 4.965 12.200) 13.325 10.811 ( -19.649 9.832 5.270) 22.595 11.101 ( 0.607 5.067 4.504) 6.806 11.899 ( 11.495 -2.898 -5.568) 13.098 12.096 ( 1.231 1.076 -3.258) 3.645 13.256 ( -6.136 -1.172 -10.080) 11.858 13.749 ( 4.346 -2.375 7.534) 9.016 14.343 ( 12.636 6.117 1.006) 14.075 15.019 ( -16.326 1.603 3.590) 16.792 16.726 ( -1.300 -11.099 3.142) 11.608 17.584 ( 0.765 9.095 2.405) 9.438 17.819 ( 16.039 1.090 -5.529) 17.001 18.435 ( -14.485 -4.226 0.102) 15.089 19.036 ( 1.556 -15.984 -17.558) 23.794 20.104 ( -3.064 11.941 0.921) 12.362 20.489 ( 7.373 -1.535 9.099) 11.811 20.927 ( -1.348 -0.900 1.030) 1.920 21.092 ( 2.739 0.524 3.986) 4.865 21.652 ( -3.444 7.698 -0.124) 8.434 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( -1.477 -24.308 -8.029) 25.642 3.448 ( -2.447 -20.265 -4.278) 20.856 5.026 ( 1.050 15.419 -1.741) 15.552 6.682 ( 3.670 -33.651 -3.452) 34.026 7.806 ( 3.332 2.077 -5.591) 6.832 8.204 ( 6.607 7.857 0.047) 10.266 8.320 ( -8.134 -0.213 1.221) 8.228 8.510 ( 4.762 5.996 -6.583) 10.098 8.687 ( -8.670 10.232 -1.469) 13.491 8.778 ( -0.562 -4.233 9.420) 10.342 9.504 ( -1.615 -4.197 -3.585) 5.751 10.233 ( 10.942 1.807 14.194) 18.013 10.620 ( -17.231 14.660 4.617) 23.090 11.241 ( 2.963 8.462 5.103) 10.317 11.985 ( 6.034 -4.878 -3.119) 8.362 12.190 ( 10.341 0.455 -1.753) 10.498 13.010 ( -12.084 -3.376 -9.393) 15.673 13.788 ( 0.833 -6.477 3.900) 7.607 14.613 ( 3.478 11.292 0.310) 11.820 14.833 ( -4.675 -0.068 5.004) 6.849 16.607 ( 0.982 -14.839 2.366) 15.058 17.709 ( -0.427 11.331 4.917) 12.360 18.029 ( 4.011 -0.707 -8.472) 9.400 18.151 ( -3.184 -7.631 1.294) 8.370 18.813 ( 0.825 -13.672 -14.819) 20.179 20.177 ( -1.694 10.906 -1.703) 11.168 20.631 ( 4.258 -1.383 8.501) 9.608 20.914 ( -0.171 -0.220 1.206) 1.238 21.194 ( 5.218 0.210 5.588) 7.648 21.633 ( -7.864 9.055 -0.841) 12.023 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 2.758 -34.784 -9.370) 36.129 3.433 ( 20.247 -16.676 -1.509) 26.273 5.170 ( 0.187 13.332 -2.942) 13.654 6.297 ( -3.228 -38.792 -3.167) 39.055 7.824 ( -0.704 2.154 -4.200) 4.772 8.007 ( -11.246 -2.381 1.509) 11.594 8.277 ( -3.469 1.731 3.735) 5.383 8.526 ( -10.354 7.694 -2.652) 13.169 8.867 ( 5.754 0.791 6.829) 8.965 8.963 ( 10.717 20.971 -2.608) 23.695 9.413 ( 2.552 -6.920 -8.496) 11.251 10.395 ( -5.022 7.268 13.314) 15.978 10.685 ( 5.674 12.791 0.461) 14.000 11.375 ( -0.581 6.060 4.182) 7.386 12.008 ( 3.682 -5.147 0.321) 6.337 12.368 ( 5.414 -2.148 2.599) 6.378 12.709 ( -7.614 -2.349 -11.211) 13.754 13.716 ( -1.050 -8.953 2.209) 9.281 14.564 ( -15.040 10.022 4.802) 18.700 15.030 ( 15.492 2.613 0.449) 15.717 16.499 ( 3.366 -16.514 1.483) 16.919 17.785 ( -11.840 -3.424 -4.436) 13.099 17.852 ( -1.171 12.895 5.780) 14.180 18.262 ( 14.336 -12.624 -0.054) 19.102 18.616 ( -2.309 -6.466 -13.213) 14.890 20.236 ( -0.941 7.670 -2.292) 8.060 20.703 ( 0.952 -0.342 4.144) 4.266 20.937 ( 1.632 1.164 1.149) 2.311 21.296 ( 2.074 -1.397 1.315) 2.825 21.591 ( -6.992 10.449 4.849) 13.475 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.000 0.000 15.559) 15.559 0.978 ( -0.000 0.000 15.559) 15.559 2.525 ( -0.000 0.000 39.940) 39.940 5.918 ( -0.000 0.000 0.843) 0.843 7.830 ( 0.000 -0.000 -8.836) 8.836 7.830 ( 0.000 -0.000 -8.836) 8.836 9.004 ( 0.000 -0.000 -12.818) 12.818 9.621 ( -0.000 0.000 3.629) 3.629 9.621 ( -0.000 0.000 3.629) 3.629 10.244 ( -0.000 0.000 4.186) 4.186 10.562 ( 0.000 0.000 -0.974) 0.974 10.562 ( 0.000 0.000 -0.974) 0.974 11.155 ( -0.000 0.000 11.366) 11.366 11.155 ( -0.000 0.000 11.366) 11.366 11.738 ( 0.000 -0.000 -0.464) 0.464 12.396 ( 0.000 -0.000 -3.948) 3.948 12.396 ( 0.000 0.000 -3.948) 3.948 13.583 ( 0.000 -0.000 -3.937) 3.937 14.912 ( -0.000 0.000 0.542) 0.542 14.912 ( -0.000 0.000 0.542) 0.542 15.465 ( 0.000 -0.000 -5.012) 5.012 15.465 ( 0.000 -0.000 -5.012) 5.012 17.638 ( -0.000 0.000 4.041) 4.041 17.638 ( -0.000 0.000 4.041) 4.041 18.161 ( 0.000 -0.000 -1.967) 1.967 19.908 ( -0.000 0.000 1.248) 1.248 20.793 ( -0.000 0.000 0.704) 0.704 21.264 ( 0.000 -0.000 -0.496) 0.496 21.264 ( 0.000 -0.000 -0.496) 0.496 22.504 ( -0.000 0.000 0.926) 0.926 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 31.400 -6.834 12.047) 34.319 1.968 ( 46.083 41.884 8.085) 62.795 2.760 ( 2.356 1.270 34.401) 34.505 5.867 ( -4.451 -2.725 1.510) 5.433 7.714 ( -3.022 0.856 -7.335) 7.979 7.900 ( 7.099 2.657 -7.880) 10.934 8.667 ( -17.234 -11.345 -6.161) 21.534 9.507 ( -9.407 1.269 2.702) 9.869 9.797 ( 6.841 0.487 0.541) 6.879 10.019 ( -13.937 -9.791 12.188) 20.944 10.476 ( 3.062 -15.784 -2.041) 16.207 10.766 ( 4.419 11.489 -6.844) 14.084 10.957 ( -17.280 4.430 9.924) 20.414 11.410 ( 9.229 -6.587 12.891) 17.168 11.736 ( -1.482 1.906 -0.809) 2.547 12.146 ( -8.852 -1.170 -5.369) 10.419 12.567 ( 4.392 2.436 -2.326) 5.535 13.405 ( -5.499 -2.171 0.119) 5.913 14.907 ( -5.470 10.075 -0.454) 11.473 15.065 ( 13.556 -0.831 2.376) 13.788 15.379 ( 3.296 -10.654 -5.959) 12.645 16.009 ( 34.578 25.885 -18.971) 47.176 17.675 ( 3.817 -2.034 2.942) 5.231 17.707 ( 1.915 4.890 3.573) 6.352 18.204 ( 4.284 2.718 -1.026) 5.176 19.938 ( 1.739 1.200 1.098) 2.381 20.808 ( 1.124 0.318 0.418) 1.240 21.208 ( -3.574 -4.439 -0.153) 5.701 21.245 ( -1.726 -0.133 -0.628) 1.841 22.431 ( -7.033 -2.459 1.084) 7.529 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 34.893 4.372 7.274) 35.910 2.851 ( 5.130 7.551 28.077) 29.524 3.420 ( 50.060 32.596 3.024) 59.814 5.743 ( -7.021 -4.923 2.721) 8.997 7.657 ( -1.800 3.165 -5.696) 6.760 8.019 ( 7.497 2.443 -5.815) 9.797 8.268 ( -13.530 -8.262 -0.959) 15.882 9.323 ( -12.956 -2.979 3.525) 13.754 9.725 ( -13.526 -6.956 7.661) 17.030 9.854 ( -4.430 -6.213 4.393) 8.805 10.361 ( 5.399 -17.168 -0.619) 18.008 10.714 ( -13.227 6.597 0.449) 14.787 10.861 ( -7.024 6.533 -3.847) 10.336 11.470 ( 6.264 -15.251 5.707) 17.447 11.684 ( -4.292 -0.581 -3.439) 5.531 12.121 ( 0.248 12.468 4.967) 13.423 12.550 ( -4.369 -1.119 -2.523) 5.168 13.440 ( 5.992 3.773 -1.083) 7.163 14.877 ( -11.119 13.103 -0.387) 17.189 15.222 ( 6.967 -16.393 -5.008) 18.503 15.464 ( 18.657 5.118 2.956) 19.571 16.627 ( 23.299 16.990 -20.613) 35.446 17.785 ( 9.111 2.254 -1.704) 9.539 17.841 ( 5.016 4.386 3.706) 7.624 18.338 ( 6.484 5.040 0.972) 8.270 19.998 ( 2.354 2.030 1.006) 3.267 20.840 ( 2.048 0.272 -0.134) 2.070 21.060 ( -5.809 -8.151 0.146) 10.010 21.198 ( -2.515 -0.909 -0.981) 2.849 22.246 ( -11.529 -2.434 0.324) 11.787 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 30.416 9.595 4.225) 32.172 3.127 ( 4.680 6.423 23.216) 24.539 4.635 ( 50.479 28.452 -2.374) 57.994 5.555 ( -9.814 -6.790 4.456) 12.739 7.627 ( -2.424 2.914 -3.960) 5.481 8.011 ( -3.275 -4.190 -2.504) 5.878 8.160 ( 2.956 3.340 0.096) 4.461 9.052 ( -16.291 -5.232 5.548) 17.987 9.374 ( -20.872 -12.959 5.340) 25.141 9.686 ( -5.315 -10.512 2.060) 11.958 10.315 ( -2.581 -1.724 2.546) 4.015 10.603 ( -3.107 2.386 -7.225) 8.219 10.750 ( -1.809 0.700 -5.986) 6.293 11.334 ( -11.233 -6.989 0.395) 13.236 11.704 ( 12.678 -6.818 -0.748) 14.414 12.323 ( -3.281 10.428 6.951) 12.955 12.415 ( -3.444 1.121 0.489) 3.655 13.590 ( 7.272 3.883 -3.331) 8.891 14.782 ( -12.777 9.750 -0.267) 16.074 15.112 ( 3.138 -13.643 -5.712) 15.119 15.935 ( 22.876 8.082 4.449) 24.666 16.936 ( 12.195 7.059 -11.674) 18.298 17.933 ( 3.166 2.039 0.179) 3.770 18.039 ( 11.117 6.018 -0.938) 12.676 18.544 ( 9.509 6.873 3.245) 12.173 20.052 ( 0.194 1.518 1.399) 2.074 20.864 ( -2.079 -9.258 -1.763) 9.650 20.890 ( 0.233 0.395 0.133) 0.478 21.132 ( -2.869 -1.417 -1.463) 3.519 22.006 ( -13.134 -1.839 -0.948) 13.296 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 18.750 7.998 0.943) 20.407 3.461 ( 11.727 10.720 17.612) 23.720 5.141 ( -11.301 -10.926 -0.449) 15.725 5.834 ( 40.435 22.472 3.339) 46.381 7.598 ( -1.488 2.336 -0.456) 2.807 7.959 ( 0.031 -0.879 -1.674) 1.891 8.253 ( 4.310 3.139 -0.292) 5.340 8.715 ( -21.798 -8.055 7.799) 24.512 8.890 ( -16.994 -12.979 1.049) 21.409 9.497 ( -6.249 -9.127 -0.730) 11.085 10.241 ( -8.883 6.736 -0.271) 11.151 10.510 ( 1.921 -3.257 -16.428) 16.858 10.803 ( 0.936 -0.587 1.057) 1.529 11.057 ( -8.567 -3.234 -1.867) 9.345 11.877 ( 14.377 -8.416 1.737) 16.749 12.132 ( -11.121 -4.223 -1.571) 11.999 12.617 ( 2.119 13.986 11.392) 18.163 13.718 ( 6.309 3.260 -4.983) 8.675 14.639 ( -10.552 3.439 -0.637) 11.116 15.011 ( 0.881 -7.374 -4.680) 8.778 16.402 ( 17.519 9.378 1.563) 19.932 17.134 ( 11.662 3.135 -3.643) 12.613 17.944 ( -0.805 -3.816 1.131) 4.060 18.249 ( 3.952 8.512 -0.100) 9.386 18.837 ( 12.757 5.225 7.366) 15.630 20.011 ( -6.796 -1.079 1.290) 7.001 20.739 ( 2.221 -7.085 -4.553) 8.710 20.954 ( 3.811 2.447 -0.620) 4.571 21.056 ( -2.995 -1.526 -1.874) 3.848 21.764 ( -11.896 -1.283 -1.290) 12.035 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 4.740 3.160 -0.041) 5.697 3.907 ( 12.488 10.301 11.221) 19.697 4.739 ( -16.951 -11.690 3.014) 20.811 6.741 ( 35.755 17.005 3.112) 39.715 7.634 ( 3.020 0.376 3.069) 4.322 7.877 ( -8.514 -6.007 0.500) 10.432 8.297 ( -6.897 -11.747 2.255) 13.807 8.399 ( 2.332 9.056 -1.187) 9.427 8.607 ( -11.038 -2.442 4.607) 12.208 9.273 ( -9.099 -5.132 -5.798) 11.947 10.146 ( -8.686 4.689 -6.301) 11.710 10.410 ( 3.511 -13.170 -12.511) 18.502 10.551 ( -18.353 3.168 -2.314) 18.768 11.095 ( 6.377 0.112 -4.059) 7.560 11.968 ( -3.246 -0.792 2.931) 4.444 12.028 ( 12.043 -10.517 3.008) 16.269 12.838 ( -0.539 13.162 11.575) 17.536 13.817 ( 5.193 2.561 -5.162) 7.757 14.504 ( -5.679 0.079 -1.103) 5.786 14.935 ( -0.828 -2.859 -4.196) 5.145 16.713 ( 8.777 7.460 -2.099) 11.709 17.365 ( 11.183 3.505 -0.211) 11.722 17.880 ( -0.616 -6.429 4.408) 7.819 18.332 ( -2.701 6.086 0.201) 6.662 19.098 ( 5.227 -3.258 14.848) 16.075 19.867 ( -5.978 2.448 -2.819) 7.048 20.728 ( 5.335 -4.546 -6.647) 9.659 20.981 ( -2.863 -0.897 -1.545) 3.375 21.067 ( 6.588 3.636 -2.531) 7.939 21.573 ( -8.420 -0.082 -0.035) 8.420 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.350 ( -4.390 -1.917 -0.063) 4.791 3.889 ( -21.551 -9.133 7.498) 24.578 4.688 ( 11.982 6.577 4.576) 14.415 7.153 ( -8.986 -6.587 4.592) 12.051 7.729 ( 2.696 0.528 4.153) 4.980 7.827 ( 23.326 -1.533 2.963) 23.564 8.214 ( 1.912 -3.766 2.871) 5.107 8.502 ( -5.234 3.575 6.377) 8.991 8.557 ( 1.905 12.187 -3.058) 12.708 9.017 ( -11.255 -0.165 -12.647) 16.931 9.801 ( -19.481 -12.349 -1.484) 23.113 10.289 ( 8.267 -14.024 -9.442) 18.819 10.453 ( -6.103 20.629 -9.092) 23.355 11.147 ( 5.321 -0.444 -6.065) 8.081 12.000 ( 1.757 -1.142 4.818) 5.254 12.127 ( 9.763 -10.284 3.463) 14.597 12.978 ( -5.091 10.995 10.625) 16.115 13.868 ( 1.376 -0.141 -4.164) 4.388 14.467 ( 2.489 1.403 -1.305) 3.142 14.875 ( -1.569 0.069 -4.417) 4.688 16.804 ( -2.328 0.271 -2.801) 3.653 17.537 ( 6.729 4.373 -3.574) 8.785 17.921 ( 5.637 -2.987 9.795) 11.689 18.288 ( -5.881 0.896 -0.768) 5.999 19.041 ( -11.763 -11.053 16.533) 23.106 19.937 ( 7.446 9.306 -1.892) 12.068 20.708 ( 2.119 -4.639 -7.919) 9.420 20.931 ( -1.342 -0.090 -0.888) 1.611 21.187 ( 6.195 -0.057 -6.124) 8.711 21.505 ( -2.024 5.573 2.354) 6.380 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -26.666 28.100 10.115) 40.038 1.912 ( 19.885 58.391 7.034) 62.084 2.956 ( -0.063 0.765 31.905) 31.914 5.873 ( -0.168 -5.235 1.532) 5.457 7.704 ( 3.998 0.615 -6.060) 7.286 7.816 ( -3.181 4.207 -7.516) 9.182 8.644 ( -0.739 -16.475 -7.387) 18.070 9.533 ( 4.671 -6.147 3.903) 8.650 9.760 ( -1.537 0.597 -0.353) 1.686 10.076 ( -2.109 -15.750 10.350) 18.964 10.476 ( -12.912 -7.060 -0.089) 14.716 10.760 ( 6.748 14.276 -7.303) 17.397 10.997 ( 8.892 -13.938 11.022) 19.870 11.507 ( -8.339 5.453 7.630) 12.550 11.765 ( 2.254 4.176 0.872) 4.825 12.050 ( 3.797 -14.845 -4.791) 16.054 12.628 ( -0.297 14.649 -3.337) 15.027 13.339 ( 1.076 -13.781 0.402) 13.828 14.849 ( 7.826 -3.770 0.657) 8.711 15.058 ( -5.244 6.810 1.484) 8.723 15.448 ( -12.185 4.447 -4.774) 13.822 15.878 ( 7.940 39.721 -16.275) 43.654 17.667 ( -1.748 0.230 2.599) 3.140 17.768 ( 1.265 7.272 3.506) 8.172 18.192 ( 0.271 4.872 -0.931) 4.968 19.944 ( 0.162 2.002 1.037) 2.261 20.809 ( -0.265 0.657 0.526) 0.883 21.205 ( -1.640 -5.071 -0.299) 5.338 21.245 ( 0.568 -1.499 -0.529) 1.688 22.436 ( 1.124 -7.433 0.904) 7.571 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 9.440 30.711 9.845) 33.603 2.930 ( 22.358 34.277 12.583) 42.816 3.202 ( 12.564 20.254 15.235) 28.288 5.790 ( -3.576 -6.889 2.550) 8.170 7.716 ( -3.473 4.852 -3.295) 6.817 7.852 ( 8.659 1.658 -7.229) 11.401 8.364 ( -8.795 -10.900 -2.980) 14.319 9.463 ( -6.498 -6.275 -0.484) 9.046 9.802 ( -0.254 -3.384 2.489) 4.208 9.894 ( -1.189 -15.126 12.986) 19.971 10.163 ( -9.560 -16.076 -0.111) 18.704 10.881 ( -2.180 9.543 -9.694) 13.776 11.077 ( 6.010 -4.216 7.118) 10.226 11.297 ( -14.561 -9.496 2.253) 17.529 11.744 ( -4.198 -3.856 -3.667) 6.778 12.123 ( 10.405 1.391 7.384) 12.835 12.682 ( -6.869 11.329 -5.496) 14.344 13.326 ( 7.810 -3.362 0.340) 8.510 14.977 ( 2.917 -7.141 -1.018) 7.781 15.137 ( 14.677 6.116 0.119) 15.901 15.267 ( -11.865 8.152 -1.782) 14.505 16.407 ( 17.055 31.627 -16.700) 39.624 17.693 ( 3.461 2.430 0.583) 4.269 17.884 ( 0.685 8.108 2.491) 8.509 18.305 ( 5.158 7.844 0.787) 9.421 19.990 ( 1.678 2.665 0.807) 3.251 20.818 ( 0.546 0.126 0.429) 0.706 21.078 ( -5.035 -8.561 0.744) 9.960 21.212 ( -1.461 -2.211 -0.650) 2.729 22.333 ( -4.307 -7.725 -0.560) 8.862 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 20.950 29.149 7.313) 36.634 3.264 ( 2.341 5.917 20.573) 21.535 4.171 ( 38.854 40.343 -2.506) 56.067 5.648 ( -6.339 -7.909 4.116) 10.940 7.685 ( -2.737 3.908 -3.341) 5.824 7.937 ( 3.322 -3.299 -4.578) 6.548 8.188 ( -2.536 0.315 0.381) 2.584 9.236 ( -10.396 -7.876 0.061) 13.043 9.593 ( -12.714 -12.723 3.315) 18.290 9.694 ( -13.268 -19.894 10.138) 25.973 10.105 ( 14.398 -4.838 -1.141) 15.232 10.748 ( -7.987 -8.314 -10.382) 15.515 10.933 ( -19.214 10.719 0.597) 22.010 11.263 ( 11.991 -8.043 4.909) 15.250 11.580 ( -5.599 -4.701 -3.665) 8.178 12.396 ( 10.895 3.504 10.495) 15.528 12.570 ( -12.215 7.180 -5.864) 15.334 13.470 ( 8.221 2.505 -2.621) 8.985 14.855 ( -1.036 -12.191 -6.617) 13.910 15.168 ( -11.400 12.693 1.068) 17.095 15.590 ( 26.229 4.730 4.640) 27.053 16.794 ( 8.904 17.271 -11.968) 22.821 17.892 ( 12.355 11.037 -1.592) 16.643 17.962 ( -0.317 3.634 1.711) 4.029 18.516 ( 6.736 11.009 2.297) 13.109 20.053 ( 1.955 1.908 0.723) 2.826 20.815 ( -1.515 -5.703 0.914) 5.971 20.907 ( -3.661 -4.789 0.544) 6.053 21.150 ( -2.281 -2.613 -0.800) 3.559 22.139 ( -8.195 -6.984 -2.452) 11.043 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 16.792 28.401 4.235) 33.265 3.512 ( 6.170 10.014 14.022) 18.302 5.049 ( 19.626 11.672 -2.933) 23.022 5.568 ( 9.088 5.843 6.292) 12.503 7.660 ( -2.528 3.695 -2.170) 4.976 7.904 ( 1.707 -3.263 -2.571) 4.491 8.216 ( 1.564 1.363 0.628) 2.167 8.979 ( -10.182 -7.596 0.761) 12.726 9.081 ( -24.746 -19.620 4.617) 31.915 9.446 ( -3.121 -16.498 4.129) 17.291 10.295 ( 7.950 0.657 -11.216) 13.763 10.423 ( -7.184 -11.919 0.456) 13.924 10.854 ( -5.460 14.993 -3.407) 16.316 11.237 ( -11.414 -1.882 -0.987) 11.611 11.573 ( 12.305 -7.466 2.715) 14.647 12.344 ( -15.456 3.367 -4.870) 16.552 12.681 ( 9.808 3.955 11.966) 15.969 13.603 ( 6.531 3.225 -5.436) 9.089 14.656 ( -2.483 -13.062 -6.071) 14.616 15.115 ( -9.390 11.468 0.170) 14.823 16.130 ( 25.108 6.137 4.929) 26.313 16.977 ( 6.811 6.965 -5.633) 11.253 17.954 ( -2.683 -1.227 0.743) 3.042 18.252 ( 11.120 16.126 -0.461) 19.594 18.769 ( 7.719 10.870 4.130) 13.957 20.079 ( -1.140 -1.242 1.390) 2.186 20.646 ( -3.644 -10.213 -0.357) 10.850 20.915 ( 2.545 1.675 -0.339) 3.066 21.078 ( -2.535 -2.365 -0.930) 3.590 21.901 ( -9.367 -5.672 -3.550) 11.512 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.430 ( 1.214 22.922 1.147) 22.983 3.876 ( 13.194 15.265 8.774) 22.002 4.931 ( -15.077 -11.376 3.638) 19.234 6.258 ( 37.328 14.757 3.427) 40.285 7.650 ( -1.843 1.941 0.746) 2.779 7.899 ( 1.038 -2.665 -1.921) 3.446 8.233 ( -0.467 -6.128 0.101) 6.146 8.525 ( -15.461 -14.108 3.196) 21.174 8.779 ( -8.188 -2.294 2.824) 8.959 9.266 ( -2.673 -12.642 -0.160) 12.922 10.101 ( 0.267 -14.549 -13.600) 19.917 10.412 ( -6.500 10.491 -4.771) 13.231 10.885 ( -13.902 7.892 -0.649) 15.999 11.030 ( -1.803 4.058 -4.665) 6.441 11.736 ( 12.538 -9.352 4.582) 16.299 12.105 ( -11.029 1.638 0.416) 11.157 12.949 ( 7.498 4.926 12.178) 15.126 13.700 ( 5.887 2.402 -7.170) 9.583 14.458 ( -1.327 -12.832 -4.488) 13.659 15.070 ( -8.705 11.374 -1.305) 14.382 16.578 ( 16.040 6.801 0.870) 17.443 17.166 ( 12.296 1.846 0.918) 12.467 17.861 ( -3.905 -6.025 1.253) 7.289 18.504 ( -1.372 16.179 -0.868) 16.261 19.041 ( 8.902 4.603 9.779) 14.003 19.985 ( -6.817 -2.855 1.172) 7.483 20.553 ( 3.631 -6.424 -3.983) 8.385 20.986 ( 2.881 1.154 -1.729) 3.553 21.015 ( -1.055 -0.061 -0.745) 1.293 21.685 ( -7.405 -3.519 -2.861) 8.683 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( -9.647 16.227 -0.181) 18.879 4.201 ( -6.345 8.403 7.012) 12.651 4.632 ( -2.394 -3.272 3.842) 5.586 6.984 ( 29.588 2.976 3.652) 29.961 7.549 ( -6.483 -17.516 6.349) 19.727 7.811 ( -4.333 1.477 -0.376) 4.593 8.091 ( 3.386 -9.942 2.087) 10.708 8.464 ( 5.037 0.910 -0.909) 5.199 8.719 ( -2.409 5.599 1.625) 6.308 9.100 ( -3.683 -5.590 -4.308) 7.961 9.950 ( 5.691 -12.322 -12.001) 18.118 10.171 ( -27.034 5.095 -5.720) 28.099 10.728 ( -8.543 15.747 -4.938) 18.583 11.064 ( 1.183 2.901 -5.357) 6.206 11.862 ( 9.814 -10.641 5.323) 15.423 12.043 ( -1.244 2.179 4.967) 5.565 13.160 ( 2.201 5.347 11.667) 13.021 13.767 ( 5.086 -0.065 -7.539) 9.094 14.324 ( 3.303 -11.444 -3.067) 12.299 15.030 ( -8.124 12.604 -2.623) 15.223 16.804 ( 3.762 4.028 -2.391) 6.008 17.411 ( 11.349 0.846 1.494) 11.478 17.769 ( 2.833 -9.894 4.738) 11.330 18.528 ( -10.146 12.570 -2.421) 16.334 19.182 ( -3.245 -7.101 17.671) 19.319 19.924 ( 1.503 6.322 -2.510) 6.966 20.543 ( 4.709 -6.368 -6.577) 10.295 20.955 ( -1.815 0.058 -0.991) 2.069 21.077 ( 3.904 0.966 -3.733) 5.487 21.576 ( -1.700 1.132 -0.453) 2.092 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -7.476 32.875 2.726) 33.825 2.718 ( -29.161 38.870 13.236) 50.363 3.198 ( -9.264 15.120 18.944) 25.949 5.804 ( 2.998 -5.767 2.600) 7.000 7.604 ( 2.408 -0.332 -4.781) 5.364 7.931 ( -6.752 5.452 -4.694) 9.867 8.366 ( 9.384 -12.160 -4.503) 16.006 9.402 ( 6.931 -7.282 6.261) 11.844 9.715 ( -0.377 -9.585 -3.161) 10.100 9.973 ( 5.736 -11.757 9.875) 16.391 10.573 ( -4.994 -8.136 -3.954) 10.333 10.685 ( 7.947 -8.820 1.838) 12.014 10.806 ( 7.892 8.681 3.397) 12.214 11.632 ( -0.375 -4.981 -4.085) 6.453 11.728 ( 4.167 1.442 -4.840) 6.547 11.898 ( -4.399 -6.146 11.134) 13.457 12.677 ( 7.927 8.772 -0.974) 11.863 13.304 ( -8.441 -3.247 -0.756) 9.075 14.707 ( 2.002 -8.658 0.083) 8.887 15.331 ( -14.755 5.069 2.152) 15.749 15.519 ( 7.236 13.914 -3.197) 16.006 16.278 ( -18.423 29.421 -19.302) 39.719 17.756 ( -4.545 4.107 0.402) 6.139 17.856 ( -0.538 9.282 2.763) 9.700 18.282 ( -4.211 5.928 0.538) 7.291 19.981 ( -1.281 2.100 0.934) 2.631 20.833 ( -1.082 1.116 0.143) 1.561 21.148 ( 2.394 -4.819 -1.445) 5.571 21.197 ( 1.946 -2.302 -0.338) 3.033 22.277 ( 6.419 -11.414 1.470) 13.177 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -12.089 29.651 3.264) 32.187 3.102 ( 6.521 29.431 16.284) 34.262 3.421 ( 0.727 37.493 7.982) 38.340 5.770 ( -0.872 -7.528 3.054) 8.171 7.688 ( 7.782 2.739 -3.612) 9.006 7.840 ( -6.443 4.473 -3.685) 8.666 8.306 ( 0.612 -9.356 -4.239) 10.290 9.449 ( -0.501 -7.801 3.557) 8.588 9.636 ( 8.755 -10.087 -0.877) 13.385 9.875 ( -5.781 -16.618 9.561) 20.025 10.270 ( -14.084 -14.090 1.983) 20.020 10.785 ( 12.217 -14.627 6.253) 20.058 10.948 ( -1.371 6.693 -10.461) 12.494 11.519 ( -7.372 0.588 -2.312) 7.748 11.641 ( 3.660 -10.816 -4.488) 12.269 12.031 ( 5.835 2.417 10.537) 12.285 12.877 ( -1.839 14.600 -5.565) 15.733 13.175 ( 2.500 -3.767 3.159) 5.515 14.791 ( 13.289 -3.406 2.118) 13.881 15.095 ( -12.148 -2.397 -3.505) 12.869 15.616 ( -9.599 14.629 1.083) 17.530 16.440 ( 7.180 34.925 -15.619) 38.926 17.726 ( -3.043 4.610 0.193) 5.528 17.975 ( 0.494 9.022 1.322) 9.132 18.339 ( 1.576 10.301 1.120) 10.481 20.006 ( 0.386 3.052 0.744) 3.165 20.828 ( -0.724 0.670 0.480) 1.097 21.059 ( -2.636 -9.187 -0.275) 9.561 21.195 ( 0.254 -2.779 -0.656) 2.866 22.244 ( 2.427 -12.058 0.125) 12.300 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 9.242 32.093 5.008) 33.771 3.387 ( 2.515 5.222 16.575) 17.559 4.139 ( 17.546 54.599 -1.948) 57.382 5.669 ( -3.406 -8.826 3.857) 10.216 7.746 ( -2.637 2.425 -6.475) 7.400 7.838 ( 3.892 1.462 0.264) 4.166 8.217 ( -1.226 -0.678 -1.882) 2.347 9.277 ( -6.626 -11.194 -0.951) 13.043 9.614 ( -5.854 -21.325 9.429) 24.040 9.776 ( 1.449 -8.932 -7.896) 12.009 9.874 ( -6.170 -12.304 14.067) 19.681 10.674 ( -3.139 -21.422 -6.667) 22.654 11.007 ( 8.193 3.411 -3.290) 9.465 11.359 ( -12.148 3.923 1.090) 12.812 11.588 ( -2.095 -2.234 -1.796) 3.551 12.234 ( 11.681 -2.862 9.367) 15.244 12.815 ( -10.299 10.040 -9.481) 17.227 13.339 ( 9.030 3.447 1.944) 9.859 14.813 ( -8.853 -6.133 -4.270) 11.586 15.117 ( 20.535 -4.110 2.292) 21.067 15.610 ( -9.347 19.374 3.244) 21.754 16.816 ( 6.406 24.718 -10.930) 27.776 17.816 ( 7.108 10.495 -0.499) 12.685 18.036 ( -1.792 4.455 0.685) 4.851 18.546 ( 5.881 14.924 1.251) 16.090 20.050 ( 0.794 2.345 0.368) 2.503 20.809 ( -2.483 -4.306 1.791) 5.283 20.910 ( -2.646 -6.782 0.521) 7.299 21.148 ( -1.360 -3.333 -0.761) 3.680 22.121 ( -2.235 -11.365 -2.266) 11.803 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 18.639 32.348 4.820) 37.644 3.590 ( 4.237 9.347 9.331) 13.870 4.906 ( 16.558 32.801 -1.517) 36.774 5.561 ( -0.825 -3.452 4.704) 5.892 7.702 ( -0.826 2.599 -5.472) 6.114 7.858 ( -0.713 -0.042 -1.125) 1.332 8.229 ( 0.133 2.021 0.940) 2.233 9.027 ( -7.804 -11.760 -1.381) 14.181 9.282 ( -20.403 -23.553 2.252) 31.243 9.357 ( -4.646 -19.624 5.757) 20.972 10.086 ( 11.392 -0.878 -0.671) 11.445 10.351 ( -3.358 -16.351 -2.633) 16.899 11.095 ( -3.160 6.261 -5.112) 8.679 11.311 ( 4.671 0.773 4.380) 6.450 11.480 ( -10.044 3.125 -0.007) 10.519 12.490 ( 16.293 -5.074 8.258) 18.958 12.635 ( -14.672 6.968 -8.412) 18.292 13.509 ( 6.063 4.303 -1.795) 7.648 14.572 ( -6.479 -9.132 -5.864) 12.640 15.325 ( 1.902 1.471 1.858) 3.039 15.849 ( 14.225 14.795 5.968) 21.374 16.987 ( 0.061 12.337 -6.215) 13.814 18.002 ( -3.037 -1.376 1.814) 3.796 18.188 ( 15.070 18.961 -1.551) 24.270 18.814 ( 5.520 16.134 1.268) 17.100 20.066 ( 0.105 -1.695 -0.120) 1.703 20.643 ( -6.217 -11.095 3.496) 13.190 20.896 ( 1.350 1.106 0.148) 1.752 21.082 ( -1.717 -3.123 -0.788) 3.650 21.928 ( -5.287 -9.630 -4.150) 11.744 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( 9.054 33.262 2.214) 34.543 3.844 ( 10.687 12.422 4.105) 16.893 5.060 ( -8.540 -7.201 3.729) 11.777 5.891 ( 22.997 16.897 3.092) 28.704 7.697 ( 0.017 2.299 -4.544) 5.093 7.843 ( -0.637 0.541 -0.758) 1.129 8.227 ( -2.110 -1.592 1.658) 3.120 8.661 ( -18.681 -20.770 1.515) 27.976 8.835 ( -5.256 -12.888 1.331) 13.982 9.150 ( -1.137 -15.974 1.739) 16.109 9.934 ( -4.806 -11.986 -10.911) 16.906 10.455 ( 8.673 3.714 3.982) 10.241 11.078 ( -2.491 9.446 -6.153) 11.546 11.306 ( -18.114 10.820 0.855) 21.117 11.472 ( 11.529 -6.394 4.247) 13.851 12.367 ( -16.303 3.213 -3.829) 17.052 12.783 ( 17.684 -5.147 7.958) 20.063 13.618 ( 3.683 4.714 -4.436) 7.447 14.345 ( -4.234 -11.001 -5.204) 12.885 15.327 ( -6.513 8.423 0.409) 10.655 16.320 ( 20.585 7.673 4.750) 22.476 17.073 ( 3.140 6.910 -1.748) 7.788 17.898 ( -5.585 -5.419 0.980) 7.843 18.609 ( 9.667 18.549 -1.263) 20.955 19.050 ( 3.703 11.749 4.133) 12.994 20.013 ( -1.091 -6.324 -0.063) 6.418 20.476 ( -3.769 -7.335 2.323) 8.568 20.945 ( 2.447 1.792 -0.566) 3.085 21.026 ( -1.268 -1.730 -0.577) 2.221 21.721 ( -5.377 -6.910 -4.425) 9.811 ======================= Grid point 510 (253/294) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.921 ( -7.533 22.439 -0.336) 23.672 4.292 ( 13.017 21.357 0.323) 25.013 4.776 ( -15.473 -9.909 6.757) 19.577 6.485 ( 29.720 4.446 3.620) 30.268 7.595 ( -11.114 -14.008 3.329) 18.189 7.822 ( 1.588 -2.486 -1.443) 3.283 8.059 ( -9.366 -7.365 1.508) 12.010 8.385 ( 2.728 -2.470 -1.011) 3.817 8.725 ( 2.085 -5.341 -0.572) 5.762 9.005 ( -0.151 -12.330 -1.357) 12.405 9.755 ( 0.917 -2.878 -8.118) 8.662 10.560 ( -6.866 7.632 -1.580) 10.387 11.057 ( -18.709 10.741 -2.358) 21.702 11.104 ( -3.508 8.296 -5.957) 10.799 11.625 ( 10.805 -6.449 4.632) 13.409 12.168 ( -7.954 0.831 3.958) 8.923 13.073 ( 15.516 -4.897 7.827) 18.055 13.681 ( 1.668 4.755 -6.288) 8.058 14.159 ( -0.718 -11.343 -3.832) 11.994 15.297 ( -8.098 11.613 -0.789) 14.179 16.699 ( 12.882 5.056 0.261) 13.842 17.238 ( 9.477 3.244 2.822) 10.407 17.729 ( -5.548 -8.691 1.169) 10.377 18.781 ( -5.928 12.774 -5.838) 15.245 19.234 ( 3.234 0.192 14.746) 15.098 19.953 ( 0.007 0.925 -2.131) 2.323 20.390 ( 0.661 -6.281 -1.529) 6.498 20.973 ( -0.463 0.406 -0.943) 1.126 21.022 ( 1.864 0.962 -1.580) 2.626 21.584 ( -1.501 -2.778 -2.665) 4.132 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -12.044 33.127 0.963) 35.261 3.185 ( -3.938 2.697 22.874) 23.367 4.140 ( -43.375 42.224 -0.890) 60.540 5.680 ( 6.932 -6.066 3.392) 9.816 7.560 ( -0.308 -1.187 -2.745) 3.006 8.029 ( 0.073 -1.883 -5.450) 5.767 8.138 ( 1.735 -0.979 1.870) 2.732 9.185 ( 11.617 -10.787 5.362) 16.735 9.565 ( 7.262 -13.333 4.109) 15.729 9.755 ( 8.268 -10.720 0.137) 13.538 10.392 ( 8.388 -12.138 -0.997) 14.788 10.524 ( 0.180 -8.000 -3.280) 8.648 10.803 ( 6.116 10.816 0.284) 12.429 11.460 ( 8.849 -6.326 -2.384) 11.135 11.730 ( -7.908 3.262 -7.652) 11.477 12.099 ( -11.186 -3.543 15.126) 19.144 12.557 ( 12.575 5.195 -0.906) 13.636 13.467 ( -9.540 2.567 -2.734) 10.250 14.596 ( -0.731 -12.377 0.872) 12.429 15.373 ( 9.114 5.976 -3.779) 11.535 15.789 ( -15.486 15.127 1.021) 21.672 16.716 ( -16.025 15.677 -12.070) 25.461 17.903 ( -5.040 8.522 -1.376) 9.996 17.997 ( -3.748 7.787 1.030) 8.703 18.464 ( -8.031 8.495 2.701) 11.998 20.029 ( -1.494 0.682 1.039) 1.943 20.866 ( -1.482 1.070 -0.155) 1.835 21.012 ( 6.864 -2.927 -3.066) 8.067 21.134 ( 1.808 -3.260 -0.665) 3.787 22.033 ( 8.147 -12.917 1.564) 15.351 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -15.352 27.847 -2.028) 31.863 3.316 ( -0.086 5.828 19.217) 20.082 4.100 ( -17.223 56.704 -0.649) 59.266 5.708 ( 1.853 -7.163 3.129) 8.033 7.593 ( 4.724 2.606 -1.216) 5.530 7.941 ( -3.615 -2.074 -4.655) 6.248 8.183 ( 2.684 -0.343 -0.056) 2.706 9.299 ( 11.581 -12.330 4.837) 17.594 9.436 ( -2.264 -13.726 -1.804) 14.028 9.812 ( 3.778 -12.930 9.144) 16.281 10.244 ( -0.460 -17.045 -8.537) 19.069 10.505 ( 4.855 -15.026 9.412) 18.383 10.968 ( -0.945 5.340 -8.571) 10.143 11.482 ( -0.002 -4.538 -4.049) 6.082 11.531 ( 1.558 -3.100 -1.914) 3.962 12.084 ( -2.410 2.064 10.041) 10.531 12.882 ( 13.091 12.285 -0.822) 17.971 13.284 ( -11.742 1.447 -0.187) 11.832 14.567 ( 8.051 -6.491 1.550) 10.457 15.288 ( -13.543 -5.304 -1.885) 14.666 15.870 ( -0.926 19.648 -0.397) 19.674 16.649 ( -4.692 24.855 -11.128) 27.634 17.875 ( -6.464 6.668 0.042) 9.286 18.064 ( -0.300 9.808 -0.808) 9.846 18.480 ( -3.579 12.911 2.327) 13.599 20.038 ( 0.020 2.489 0.887) 2.642 20.856 ( -1.035 1.127 0.221) 1.546 20.979 ( -0.012 -9.626 -2.792) 10.023 21.142 ( 2.028 -2.816 -0.566) 3.516 22.038 ( 6.277 -13.732 1.572) 15.180 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -4.745 25.998 -0.307) 26.430 3.487 ( 1.792 6.309 12.396) 14.024 4.562 ( 0.969 57.669 -1.785) 57.705 5.649 ( -1.814 -7.402 3.117) 8.234 7.714 ( 4.172 3.801 -4.432) 7.176 7.848 ( -1.484 -0.813 -0.410) 1.741 8.213 ( 0.395 2.352 -1.086) 2.621 9.240 ( -3.734 -13.336 -1.970) 13.988 9.371 ( 9.377 -20.326 3.832) 22.710 9.727 ( -4.000 -5.572 7.041) 9.830 9.977 ( -9.447 -18.031 2.597) 20.521 10.388 ( 2.030 -25.058 2.591) 25.274 10.940 ( 3.031 5.572 -9.550) 11.465 11.342 ( -0.026 -14.441 -0.941) 14.472 11.674 ( 2.464 11.241 0.091) 11.508 12.131 ( 2.530 -2.036 6.031) 6.850 13.016 ( -9.116 9.005 -10.305) 16.443 13.280 ( 6.802 6.587 6.854) 11.689 14.754 ( 17.209 -4.201 2.916) 17.953 14.952 ( -15.062 -5.829 -3.356) 16.495 15.977 ( -8.067 17.584 3.204) 19.610 16.898 ( 6.678 25.657 -9.911) 28.303 17.865 ( -1.160 8.889 -0.098) 8.965 18.113 ( -2.461 4.233 -0.054) 4.897 18.638 ( 2.610 17.990 0.589) 18.188 20.075 ( -0.036 2.810 0.507) 2.856 20.815 ( -3.504 -9.705 0.912) 10.359 20.872 ( 0.514 -1.827 -0.224) 1.911 21.121 ( -0.113 -3.609 -0.872) 3.715 21.982 ( 2.391 -13.230 -0.495) 13.453 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 14.902 23.916 2.156) 28.261 3.663 ( 3.317 10.593 4.888) 12.129 5.089 ( 3.306 29.296 -0.631) 29.489 5.602 ( -1.274 9.511 2.439) 9.902 7.703 ( -1.397 2.207 -7.146) 7.608 7.885 ( 0.558 2.884 1.135) 3.149 8.248 ( 0.734 3.434 -0.504) 3.548 9.006 ( -5.910 -14.766 -1.615) 15.987 9.190 ( -2.692 -27.494 3.379) 27.832 9.453 ( -18.778 -15.642 -1.063) 24.463 9.915 ( 8.449 -2.543 10.725) 13.888 10.184 ( 1.248 -18.299 -0.195) 18.343 11.045 ( 6.553 3.530 -4.291) 8.591 11.213 ( 2.239 -11.697 -1.204) 11.970 11.775 ( -6.234 13.248 3.015) 14.949 12.216 ( 9.500 -6.454 4.500) 12.336 12.863 ( -10.288 7.905 -12.162) 17.783 13.475 ( 4.013 6.079 3.544) 8.101 14.626 ( -11.682 -7.154 -4.742) 14.496 15.072 ( 19.370 -4.117 4.308) 20.266 16.049 ( -5.916 19.136 4.673) 20.568 17.108 ( -1.391 14.894 -6.387) 16.265 18.059 ( -2.336 2.065 2.816) 4.202 18.106 ( 11.435 13.131 -2.948) 17.659 18.900 ( 5.125 19.699 -0.916) 20.376 20.065 ( -2.433 -2.137 -0.787) 3.332 20.650 ( -3.878 -10.894 4.356) 12.356 20.891 ( 0.845 1.407 0.664) 1.771 21.067 ( -1.032 -3.667 -0.911) 3.917 21.855 ( -1.403 -11.519 -2.842) 11.947 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.630 ( 24.437 19.150 2.791) 31.172 3.882 ( 5.460 17.640 -1.347) 18.514 5.113 ( -4.314 -11.544 2.649) 12.606 5.916 ( 3.787 32.986 1.460) 33.234 7.672 ( -0.489 2.139 -5.886) 6.282 7.916 ( -1.831 6.381 -1.322) 6.769 8.266 ( -1.751 0.090 0.358) 1.789 8.734 ( -10.597 -30.920 1.797) 32.735 8.768 ( -9.938 -12.371 -2.373) 16.045 9.066 ( -6.931 -14.979 4.083) 17.003 9.863 ( -4.332 -10.988 -2.809) 12.141 10.314 ( 13.689 2.099 8.248) 16.119 11.095 ( 2.592 -1.849 -4.644) 5.631 11.256 ( 9.508 -2.441 1.520) 9.933 11.755 ( -14.696 14.554 4.359) 21.137 12.391 ( 15.889 -10.736 3.499) 19.493 12.661 ( -12.324 7.252 -11.271) 18.207 13.598 ( 2.818 4.840 1.180) 5.723 14.344 ( -9.379 -7.739 -4.258) 12.884 15.333 ( 11.203 -2.013 2.042) 11.565 16.242 ( 4.291 16.449 5.435) 17.848 17.143 ( -2.727 9.061 -2.894) 9.895 17.949 ( -5.964 -5.394 0.921) 8.093 18.540 ( 16.450 16.284 -2.062) 23.238 19.163 ( 2.811 17.910 -0.479) 18.136 19.938 ( -2.273 -10.544 -2.410) 11.052 20.531 ( -5.094 -5.233 7.517) 10.480 20.932 ( 1.362 2.097 0.558) 2.562 21.015 ( -0.473 -2.512 -0.701) 2.650 21.688 ( -3.142 -8.781 -4.183) 10.221 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.056 ( 10.247 9.608 -4.674) 14.804 4.307 ( 12.793 25.547 0.799) 28.583 4.910 ( -5.035 -11.939 4.908) 13.856 6.261 ( 6.264 17.253 1.957) 18.458 7.631 ( -3.889 -4.370 -1.462) 6.030 7.851 ( -10.292 -5.856 0.498) 11.852 8.172 ( -10.919 -9.134 -0.463) 14.243 8.272 ( 3.028 -7.304 -4.967) 9.337 8.629 ( -0.439 -7.370 1.798) 7.598 8.898 ( -1.210 -10.866 3.095) 11.363 9.720 ( -1.214 -0.979 -2.176) 2.677 10.582 ( 8.243 4.037 3.563) 9.846 11.121 ( 3.394 1.697 -3.629) 5.251 11.424 ( 9.766 -1.991 2.791) 10.350 11.584 ( -23.134 13.266 -0.501) 26.672 12.328 ( -8.577 -6.363 -0.293) 10.684 12.730 ( 16.574 -1.681 -0.684) 16.673 13.689 ( 1.762 5.089 -0.495) 5.408 14.103 ( -6.588 -8.008 -3.218) 10.858 15.450 ( 1.479 3.721 0.158) 4.008 16.548 ( 11.069 10.031 3.546) 15.353 17.208 ( 2.042 7.156 0.705) 7.475 17.765 ( -7.532 -8.575 0.382) 11.420 18.864 ( 5.759 10.089 -7.807) 13.996 19.307 ( -1.756 4.715 9.912) 11.116 19.848 ( 6.180 -4.592 -7.134) 10.496 20.435 ( -7.321 -2.230 7.693) 10.852 20.975 ( 0.624 1.980 -0.418) 2.118 21.001 ( 0.927 -0.301 -0.109) 0.981 21.549 ( -1.416 -5.219 -3.632) 6.514 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -10.972 29.658 -0.655) 31.630 3.427 ( -7.350 5.681 17.472) 19.788 5.176 ( -23.924 20.926 -4.965) 32.171 5.541 ( -5.609 3.507 5.677) 8.717 7.552 ( -1.406 -1.294 0.136) 1.915 7.941 ( -0.159 -3.065 -1.502) 3.418 8.208 ( -2.678 2.230 1.731) 3.891 8.883 ( 13.080 -12.067 5.667) 18.677 9.165 ( 22.201 -15.877 3.689) 27.542 9.533 ( 3.714 -13.322 -5.174) 14.767 10.141 ( 4.691 -11.806 -3.037) 13.062 10.444 ( 0.126 0.481 -10.227) 10.239 10.868 ( -0.714 8.332 3.745) 9.163 11.211 ( 12.836 -2.025 -0.725) 13.015 11.924 ( -11.158 6.818 -5.501) 14.186 12.283 ( 6.559 0.893 4.227) 7.854 12.405 ( -3.381 -4.281 9.340) 10.816 13.617 ( -6.767 3.252 -4.182) 8.594 14.493 ( -1.531 -13.768 1.888) 13.981 15.241 ( 11.477 9.061 -4.203) 15.215 16.199 ( -16.969 9.375 -1.656) 19.457 17.018 ( -11.436 8.194 -3.421) 14.479 18.008 ( 0.304 1.090 2.061) 2.351 18.167 ( -5.425 11.364 -2.007) 12.751 18.772 ( -12.236 12.876 5.126) 18.487 20.024 ( 2.263 -4.233 1.237) 4.957 20.837 ( 5.442 -1.106 -5.113) 7.548 20.916 ( -1.628 1.948 -1.080) 2.759 21.063 ( 2.102 -3.162 -1.059) 3.943 21.783 ( 7.307 -11.329 1.560) 13.571 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( -15.431 30.831 -2.526) 34.570 3.501 ( -3.002 7.262 14.336) 16.348 4.955 ( -24.180 36.825 -3.943) 44.230 5.602 ( 4.666 -2.692 2.835) 6.088 7.555 ( 2.022 1.428 1.252) 2.774 7.883 ( -0.405 -4.805 -2.438) 5.404 8.222 ( -0.935 3.818 1.853) 4.346 8.985 ( 10.642 -14.030 3.382) 17.931 9.266 ( 5.675 -19.882 0.140) 20.677 9.504 ( 16.641 -14.353 -0.470) 21.980 10.024 ( -0.705 -16.557 -3.578) 16.954 10.430 ( -0.087 -0.522 0.787) 0.948 10.965 ( 1.522 2.620 -0.269) 3.042 11.407 ( 10.160 5.209 -2.137) 11.616 11.576 ( -18.537 -8.761 -3.998) 20.889 12.256 ( -7.915 0.653 10.309) 13.014 12.706 ( 19.217 10.208 -1.331) 21.800 13.493 ( -9.339 2.857 -1.672) 9.908 14.399 ( 3.664 -9.716 2.705) 10.731 15.384 ( -2.440 -1.204 -1.110) 2.939 16.090 ( -5.268 17.829 -4.647) 19.163 16.909 ( -8.379 11.881 -3.964) 15.070 17.995 ( -1.908 -1.586 1.374) 2.836 18.228 ( -4.876 17.419 -1.810) 18.179 18.751 ( -9.119 15.572 3.511) 18.384 20.041 ( 2.303 -0.894 0.962) 2.651 20.824 ( 2.453 -8.018 -5.445) 9.997 20.901 ( -1.461 0.376 -0.835) 1.724 21.071 ( 2.476 -2.543 -0.295) 3.562 21.805 ( 6.720 -11.888 3.034) 13.989 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( -18.034 22.925 -2.357) 29.263 3.620 ( -1.156 10.013 8.609) 13.255 5.064 ( -3.985 30.679 -3.967) 31.190 5.668 ( -0.500 9.933 1.587) 10.072 7.654 ( 4.736 3.386 -1.117) 5.929 7.828 ( 0.545 -1.992 -0.567) 2.142 8.250 ( -0.698 2.931 0.099) 3.015 9.013 ( 9.198 -17.535 0.487) 19.807 9.128 ( 0.734 -16.421 -0.728) 16.453 9.661 ( 16.809 -19.381 -1.279) 25.687 9.807 ( -5.156 -9.705 4.794) 11.990 10.339 ( -9.700 -10.965 8.897) 17.131 10.927 ( -3.049 3.238 -7.331) 8.575 11.224 ( -6.033 -15.079 0.089) 16.241 11.660 ( 10.336 10.296 -1.890) 14.711 12.170 ( -5.543 -1.701 4.184) 7.150 13.088 ( 9.533 11.937 -7.957) 17.224 13.362 ( -6.788 3.719 5.852) 9.703 14.472 ( 11.622 -6.251 3.149) 13.567 15.149 ( -15.336 -5.722 -1.404) 16.429 16.245 ( -1.176 17.974 -0.024) 18.013 16.980 ( 3.261 18.416 -6.661) 19.853 17.953 ( -1.417 -0.255 0.408) 1.496 18.265 ( -7.769 11.254 0.093) 13.676 18.829 ( -2.795 19.286 0.265) 19.489 20.090 ( 1.850 1.145 0.469) 2.226 20.707 ( 0.401 -13.071 -3.224) 13.469 20.890 ( -0.930 1.760 0.880) 2.176 21.072 ( 1.044 -3.256 -0.758) 3.502 21.799 ( 4.183 -11.622 2.107) 12.531 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( -1.979 16.541 -0.054) 16.659 3.764 ( 0.674 13.949 1.665) 14.064 5.161 ( 0.455 -6.064 -2.006) 6.404 5.917 ( -1.157 42.171 -0.294) 42.188 7.696 ( 0.562 2.175 -6.177) 6.572 7.892 ( 3.199 3.248 2.087) 5.014 8.272 ( 0.548 3.217 -0.563) 3.312 8.892 ( -2.056 -26.577 -0.753) 26.667 8.957 ( 1.465 -13.041 -3.163) 13.499 9.528 ( -5.138 -18.044 -4.347) 19.259 9.872 ( 4.897 -0.877 16.590) 17.320 10.062 ( -8.226 -12.794 8.011) 17.191 10.910 ( 3.529 -6.734 -2.004) 7.863 11.051 ( 1.908 -8.312 -1.773) 8.711 11.897 ( 5.497 9.776 0.271) 11.219 12.114 ( 0.551 -2.328 -0.376) 2.422 13.046 ( -10.452 7.001 -10.866) 16.623 13.509 ( 4.558 7.983 5.934) 10.942 14.641 ( 7.268 -8.157 -0.350) 10.930 14.863 ( -5.112 -2.623 2.478) 6.257 16.356 ( -5.457 15.978 3.257) 17.196 17.211 ( 3.532 15.586 -6.552) 17.272 18.010 ( 7.815 4.231 -2.355) 9.193 18.196 ( -8.466 4.478 2.516) 9.902 19.029 ( 2.483 21.434 -2.711) 21.747 20.076 ( -2.744 -4.975 -1.824) 5.967 20.597 ( 1.007 -8.825 3.094) 9.406 20.909 ( -0.123 2.408 1.494) 2.836 21.037 ( -0.391 -3.657 -0.715) 3.747 21.737 ( 0.685 -10.432 -0.097) 10.455 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 17.630 10.450 1.680) 20.563 3.952 ( 4.228 17.739 -4.193) 18.712 5.002 ( -1.117 -19.173 -0.620) 19.215 6.337 ( -3.386 44.018 -0.116) 44.148 7.693 ( -0.775 4.825 -5.681) 7.494 7.968 ( 1.637 4.027 -1.623) 4.640 8.298 ( -2.717 1.249 -1.467) 3.330 8.560 ( -3.006 -25.081 -0.046) 25.260 8.775 ( -6.318 -13.127 -4.676) 15.300 9.137 ( -14.034 -17.360 5.884) 23.086 9.862 ( -6.271 -6.514 5.533) 10.600 10.157 ( 12.240 0.974 12.739) 17.693 10.875 ( 9.429 -15.088 -1.795) 17.882 11.113 ( 7.095 0.376 0.689) 7.138 12.066 ( 0.934 10.446 3.610) 11.092 12.119 ( 3.737 -3.334 -1.734) 5.299 12.850 ( -11.410 5.868 -13.330) 18.502 13.647 ( 0.289 6.448 4.136) 7.666 14.436 ( -11.143 -6.943 -2.737) 13.411 15.049 ( 16.779 -3.301 4.058) 17.576 16.451 ( -3.573 15.461 4.127) 16.396 17.282 ( -3.999 8.934 -3.106) 10.269 18.010 ( -6.473 -4.138 -1.269) 7.786 18.369 ( 16.327 10.659 -1.622) 19.566 19.285 ( 4.403 21.116 -4.218) 21.979 19.869 ( -6.382 -15.268 -3.035) 16.824 20.599 ( -0.389 -1.462 8.646) 8.778 20.949 ( 0.369 2.881 1.980) 3.515 20.991 ( -0.419 -2.465 -0.637) 2.580 21.622 ( -1.879 -8.453 -2.319) 8.964 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.825 ( 18.944 2.782 -2.429) 19.301 4.272 ( 16.350 19.914 -3.639) 26.022 4.787 ( -0.570 -19.169 0.949) 19.201 6.592 ( -10.767 30.469 -0.360) 32.318 7.686 ( -3.091 4.986 -3.215) 6.690 7.937 ( -8.649 -15.600 -3.925) 18.264 8.127 ( -5.505 -8.591 -2.252) 10.449 8.284 ( -6.669 -1.798 -1.087) 6.993 8.577 ( 0.022 -6.083 -1.180) 6.196 8.903 ( -5.455 -8.284 9.672) 13.854 9.749 ( -3.697 -0.714 4.090) 5.559 10.447 ( 13.048 0.053 6.450) 14.555 10.939 ( 11.910 -8.273 -1.785) 14.611 11.263 ( 8.942 -1.398 3.415) 9.673 12.049 ( -13.221 7.724 3.569) 15.722 12.215 ( 5.245 -4.138 -2.844) 7.261 12.657 ( -4.698 5.738 -10.960) 13.233 13.726 ( 0.205 5.294 3.223) 6.201 14.171 ( -10.312 -5.705 -1.815) 11.924 15.310 ( 13.886 -2.249 1.552) 14.153 16.595 ( 1.111 12.744 3.909) 13.376 17.291 ( -2.262 7.699 0.246) 8.028 17.818 ( -8.115 -7.332 -0.951) 10.978 18.716 ( 14.292 6.056 -6.932) 17.000 19.492 ( -7.137 5.242 6.694) 11.101 19.618 ( 6.832 -6.203 -11.783) 14.966 20.608 ( -5.465 0.499 10.869) 12.176 20.973 ( 1.202 -1.226 -0.015) 1.717 21.004 ( -0.162 4.608 1.573) 4.872 21.497 ( -1.660 -5.956 -3.268) 6.994 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( 0.416 19.686 -0.257) 19.692 3.811 ( -14.502 13.526 11.215) 22.783 4.994 ( 19.181 -9.673 0.320) 21.484 6.324 ( -39.062 19.949 1.313) 43.881 7.610 ( -4.409 1.571 3.438) 5.808 7.945 ( -0.293 -0.146 1.029) 1.080 8.262 ( -2.051 -4.636 2.589) 5.692 8.541 ( 17.768 -8.334 2.119) 19.739 8.698 ( 11.099 -14.324 3.587) 18.473 9.266 ( 6.318 -14.336 -8.293) 17.725 9.975 ( -1.691 -10.168 -6.713) 12.300 10.386 ( 3.049 4.968 -12.935) 14.188 10.830 ( 15.913 0.942 3.478) 16.316 11.124 ( 0.274 8.877 -0.887) 8.926 12.080 ( 9.978 1.088 2.101) 10.254 12.142 ( -6.245 9.483 -4.687) 12.284 12.603 ( -12.482 -9.171 14.561) 21.259 13.724 ( -5.648 2.603 -4.572) 7.719 14.396 ( -1.512 -12.927 1.607) 13.114 15.120 ( 10.857 10.520 -3.842) 15.598 16.524 ( -13.952 5.294 -3.673) 15.368 17.253 ( -10.114 3.476 -0.036) 10.694 17.966 ( 2.711 -5.193 3.142) 6.647 18.346 ( -0.558 13.220 1.398) 13.305 19.166 ( -11.482 13.862 9.077) 20.159 19.848 ( 8.383 -11.563 -0.681) 14.298 20.751 ( 0.593 2.215 -8.418) 8.725 20.980 ( -3.648 1.264 -0.810) 3.945 20.993 ( 1.316 -1.412 -1.547) 2.473 21.586 ( 5.412 -7.878 1.846) 9.735 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.660 ( -1.518 25.095 0.897) 25.157 3.791 ( -13.805 18.107 7.468) 23.963 5.166 ( 10.528 -8.498 -3.106) 13.882 5.927 ( -26.949 21.563 0.129) 34.514 7.581 ( -2.101 1.348 4.026) 4.737 7.896 ( -4.618 -0.236 0.905) 4.712 8.251 ( 1.113 -1.302 1.998) 2.632 8.717 ( 8.308 -17.203 3.199) 19.370 8.760 ( 20.874 -18.916 -0.467) 28.174 9.164 ( 5.925 -13.421 -7.257) 16.367 9.855 ( 2.082 -11.330 -1.738) 11.650 10.452 ( 1.702 8.885 -6.914) 11.386 11.009 ( 0.375 1.945 4.931) 5.315 11.284 ( 8.479 8.625 -1.823) 12.231 11.831 ( -21.273 -7.984 -3.823) 23.041 12.424 ( 15.671 1.581 1.572) 15.828 12.468 ( -3.586 4.601 8.276) 10.125 13.634 ( -5.438 3.022 -2.825) 6.833 14.275 ( 0.762 -11.494 3.351) 11.997 15.364 ( 5.952 6.371 -1.459) 8.840 16.344 ( -10.479 11.217 -5.560) 16.326 17.121 ( -8.488 4.588 -0.671) 9.672 17.948 ( 1.956 -7.405 0.851) 7.706 18.498 ( -3.652 18.477 2.740) 19.033 19.126 ( -13.201 15.435 3.662) 20.638 19.907 ( 9.517 -8.216 0.847) 12.601 20.679 ( -0.316 -6.021 -8.962) 10.801 20.940 ( -2.056 1.571 -0.327) 2.608 21.010 ( 2.109 -1.311 -0.161) 2.489 21.620 ( 5.471 -7.860 3.642) 10.246 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( -22.685 19.156 0.009) 29.691 3.838 ( -4.266 18.071 4.235) 19.045 5.141 ( 1.373 -8.734 -5.133) 10.223 5.932 ( -2.816 29.978 -1.498) 30.148 7.628 ( 1.949 2.716 3.039) 4.518 7.830 ( -2.263 0.258 0.554) 2.344 8.252 ( 0.719 -2.929 -0.781) 3.115 8.678 ( 9.479 -22.305 -0.050) 24.235 8.867 ( 10.536 -13.447 -1.999) 17.200 9.183 ( 13.640 -12.190 -2.339) 18.443 9.777 ( 0.694 -10.054 6.084) 11.772 10.488 ( -5.314 4.513 0.906) 7.030 10.997 ( -4.816 1.784 2.457) 5.693 11.322 ( -20.411 -12.938 -0.721) 24.177 11.537 ( 11.464 7.783 -3.139) 14.207 12.300 ( -9.009 -4.798 3.353) 10.744 12.903 ( 19.496 12.641 -4.769) 23.720 13.555 ( -7.115 3.407 2.179) 8.184 14.261 ( 7.001 -8.340 4.004) 11.602 15.332 ( -10.692 -2.508 -0.221) 10.984 16.399 ( 1.550 18.003 -3.750) 18.454 17.081 ( -2.060 9.520 -2.785) 10.130 17.907 ( 1.779 -7.180 -0.115) 7.398 18.568 ( -9.896 13.630 3.290) 17.162 19.101 ( -7.499 16.403 -1.602) 18.106 20.006 ( 7.229 -3.791 0.491) 8.177 20.548 ( 0.584 -10.157 -5.471) 11.552 20.932 ( -1.074 1.961 0.872) 2.400 21.023 ( 1.081 -1.786 -0.309) 2.110 21.649 ( 3.982 -7.672 3.793) 9.439 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( -19.746 10.567 -0.314) 22.398 3.956 ( -4.169 18.350 -0.133) 18.818 5.008 ( 0.787 -16.313 -4.874) 17.044 6.313 ( 5.017 40.478 -2.706) 40.877 7.675 ( 0.496 1.772 -2.276) 2.927 7.869 ( 3.478 1.664 1.525) 4.147 8.240 ( 3.914 -3.878 -0.589) 5.541 8.584 ( 5.231 -21.055 -3.225) 21.934 8.835 ( 0.359 -8.700 -3.309) 9.315 9.271 ( 9.561 -12.629 -1.147) 15.881 9.829 ( 8.054 -4.793 15.454) 18.074 10.304 ( -18.396 -3.856 7.783) 20.343 10.878 ( -12.827 -12.943 0.655) 18.234 10.982 ( -0.421 -0.332 0.752) 0.924 11.808 ( 12.684 7.272 -3.571) 15.050 12.128 ( -5.628 -3.075 -2.029) 6.727 13.166 ( 0.477 8.650 -12.092) 14.875 13.558 ( 1.365 6.046 8.793) 10.758 14.384 ( 12.003 -6.386 3.637) 14.074 15.052 ( -15.531 -3.418 0.702) 15.918 16.576 ( -1.026 14.204 1.070) 14.281 17.224 ( 6.483 13.447 -5.381) 15.869 17.889 ( 4.793 -4.540 -1.761) 6.832 18.465 ( -14.100 5.384 3.290) 15.448 19.188 ( -0.073 17.744 -6.500) 18.898 20.015 ( 0.010 -8.890 -2.156) 9.148 20.497 ( 4.328 -4.151 2.255) 6.407 20.951 ( -0.280 2.244 2.069) 3.065 21.008 ( -0.273 -1.785 -0.083) 1.807 21.640 ( 1.114 -6.963 2.278) 7.411 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.330 ( -0.958 5.193 0.823) 5.344 4.059 ( -1.345 14.513 -5.505) 15.580 4.801 ( -0.073 -18.955 -3.772) 19.327 6.788 ( 1.988 40.497 -2.109) 40.601 7.701 ( 1.807 4.399 -4.549) 6.582 7.903 ( 3.124 -6.611 -2.284) 7.661 8.322 ( 8.017 -4.998 -0.242) 9.450 8.402 ( -6.629 -5.579 -1.523) 8.797 8.700 ( -2.919 -8.333 -5.638) 10.476 9.178 ( -5.554 -15.860 4.349) 17.358 10.004 ( -8.130 -6.142 9.361) 13.836 10.103 ( 6.332 1.892 18.058) 19.229 10.574 ( -1.780 -18.353 -1.222) 18.479 11.035 ( 3.569 1.510 2.674) 4.709 12.026 ( 1.457 2.550 -3.169) 4.321 12.081 ( 9.018 3.825 -3.200) 10.305 13.041 ( -11.460 5.004 -10.866) 16.566 13.725 ( 2.366 6.849 5.010) 8.809 14.491 ( 0.545 -5.632 0.381) 5.671 14.861 ( 0.227 -2.053 4.083) 4.575 16.667 ( -3.230 10.840 2.910) 11.679 17.386 ( 0.555 8.188 -2.426) 8.558 17.984 ( 7.636 0.641 -6.972) 10.359 18.305 ( -5.609 1.064 3.116) 6.504 19.337 ( 5.045 11.658 -11.703) 17.272 19.836 ( -6.684 -10.032 0.375) 12.061 20.605 ( 4.774 0.875 7.272) 8.743 20.960 ( -0.306 -2.392 0.947) 2.591 21.017 ( -0.314 4.690 2.686) 5.414 21.574 ( -1.969 -5.820 -0.183) 6.147 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( 15.670 -0.099 -0.000) 15.670 4.117 ( 7.017 -4.221 -6.641) 10.543 4.658 ( 0.523 -2.764 -3.132) 4.210 7.055 ( -8.267 23.027 -2.756) 24.620 7.705 ( -1.769 -3.690 -5.197) 6.615 7.897 ( 1.070 1.630 -2.598) 3.248 8.206 ( -7.039 -0.776 -2.378) 7.470 8.367 ( -6.524 -1.316 -2.378) 7.068 8.516 ( -1.611 -5.154 -2.610) 5.998 8.969 ( -4.209 -9.592 12.143) 16.037 9.913 ( -6.920 1.033 9.769) 12.016 10.227 ( 5.787 -10.844 5.354) 13.407 10.586 ( 16.498 -8.490 2.325) 18.699 11.156 ( 5.780 1.180 5.416) 8.009 12.042 ( 2.856 1.144 -5.094) 5.951 12.286 ( 5.801 6.158 3.111) 9.013 12.783 ( -13.960 3.212 -13.497) 19.682 13.814 ( -1.003 4.783 3.595) 6.067 14.317 ( -11.695 -2.508 0.402) 11.968 15.033 ( 14.960 -2.459 3.066) 15.468 16.732 ( -1.546 7.316 3.166) 8.120 17.420 ( -2.991 6.861 1.493) 7.632 17.894 ( -8.720 -3.466 -4.460) 10.389 18.455 ( 15.280 1.943 -4.394) 16.018 19.346 ( 3.412 -14.722 -13.913) 20.541 19.722 ( -5.239 11.852 3.371) 13.389 20.714 ( 0.698 0.010 9.392) 9.418 20.942 ( 0.647 -1.473 0.338) 1.644 21.099 ( -0.548 8.183 4.691) 9.448 21.462 ( -3.233 -4.966 -2.540) 6.448 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.000 0.000 11.508) 11.508 1.219 ( -0.000 0.000 11.508) 11.508 3.148 ( -0.000 0.000 30.102) 30.102 5.931 ( -0.000 0.000 0.500) 0.500 7.691 ( 0.000 -0.000 -6.720) 6.720 7.691 ( 0.000 -0.000 -6.720) 6.720 8.791 ( 0.000 -0.000 -10.883) 10.883 9.674 ( -0.000 0.000 2.405) 2.405 9.674 ( -0.000 0.000 2.405) 2.405 10.310 ( -0.000 0.000 3.209) 3.209 10.547 ( -0.000 0.000 -0.743) 0.743 10.547 ( 0.000 -0.000 -0.743) 0.743 11.363 ( -0.000 0.000 11.866) 11.866 11.363 ( -0.000 0.000 11.866) 11.866 11.725 ( 0.000 -0.000 -0.984) 0.984 12.308 ( 0.000 -0.000 -5.919) 5.919 12.308 ( 0.000 0.000 -5.919) 5.919 13.516 ( 0.000 -0.000 -3.440) 3.440 14.937 ( -0.000 0.000 2.405) 2.405 14.937 ( -0.000 0.000 2.405) 2.405 15.366 ( 0.000 -0.000 -6.069) 6.069 15.366 ( 0.000 -0.000 -6.069) 6.069 17.706 ( -0.000 0.000 3.462) 3.462 17.706 ( -0.000 0.000 3.462) 3.462 18.128 ( 0.000 -0.000 -1.722) 1.722 19.930 ( -0.000 0.000 1.088) 1.088 20.806 ( -0.000 0.000 0.742) 0.742 21.256 ( 0.000 -0.000 -0.437) 0.437 21.256 ( 0.000 -0.000 -0.437) 0.437 22.519 ( -0.000 0.000 0.716) 0.716 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 24.971 -3.554 10.565) 27.346 2.076 ( 45.674 38.412 4.173) 59.825 3.287 ( -1.620 -0.994 24.534) 24.608 5.892 ( -3.382 -2.176 1.167) 4.187 7.613 ( -2.565 2.189 -4.017) 5.244 7.772 ( 8.557 1.958 -6.378) 10.851 8.551 ( -12.873 -7.642 -6.363) 16.267 9.558 ( -7.323 -2.733 3.135) 8.421 9.782 ( 1.739 2.787 -1.933) 3.812 10.215 ( -8.039 -7.350 10.004) 14.790 10.449 ( 0.113 -11.636 -1.068) 11.685 10.656 ( 2.096 8.081 -5.781) 10.154 11.137 ( -16.372 -0.778 10.271) 19.342 11.571 ( 4.171 -10.786 4.115) 12.274 11.722 ( -2.879 3.290 -0.954) 4.475 12.098 ( -3.381 4.507 1.440) 5.815 12.497 ( 6.700 1.797 -5.607) 8.919 13.391 ( -4.697 -1.511 -1.443) 5.141 14.915 ( -6.321 9.890 1.540) 11.838 15.111 ( 13.102 -3.217 1.877) 13.621 15.275 ( 5.459 -9.264 -4.715) 11.741 15.749 ( 24.603 22.291 -11.414) 35.107 17.716 ( 1.100 -2.454 1.640) 3.149 17.769 ( 2.799 4.169 3.237) 5.974 18.191 ( 5.524 3.569 -0.419) 6.590 19.956 ( 1.649 1.110 0.905) 2.184 20.817 ( 0.719 0.189 0.529) 0.912 21.204 ( -3.608 -3.650 -0.238) 5.138 21.235 ( -1.841 -0.302 -0.485) 1.927 22.446 ( -6.765 -3.095 0.561) 7.460 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 29.875 6.907 6.659) 31.378 3.240 ( 23.449 19.051 14.310) 33.430 3.475 ( 28.659 16.378 4.248) 33.281 5.791 ( -5.983 -4.198 2.484) 7.720 7.590 ( -1.688 3.546 -1.936) 4.379 7.919 ( 8.587 1.516 -5.185) 10.145 8.245 ( -10.053 -4.976 -1.453) 11.311 9.381 ( -10.572 -5.745 3.262) 12.467 9.745 ( -5.940 -0.704 -2.738) 6.579 9.991 ( -15.748 -7.671 8.379) 19.418 10.348 ( 5.195 -16.102 -0.472) 16.926 10.653 ( -5.742 5.300 -4.976) 9.264 10.889 ( -17.632 -0.419 4.083) 18.104 11.513 ( 6.348 -12.024 -0.168) 13.597 11.607 ( -7.206 -0.053 -4.271) 8.377 12.287 ( 3.651 14.017 12.169) 18.917 12.486 ( -2.118 -3.711 -4.645) 6.311 13.399 ( 4.647 3.218 -3.466) 6.631 14.889 ( -11.394 12.882 1.782) 17.291 15.107 ( 5.868 -16.727 -7.494) 19.245 15.542 ( 20.513 5.641 5.232) 21.909 16.332 ( 24.552 18.606 -12.577) 33.274 17.761 ( 5.364 1.990 -1.208) 5.847 17.905 ( 5.741 3.050 3.443) 7.357 18.359 ( 7.834 5.873 1.129) 9.856 20.014 ( 2.504 1.957 0.711) 3.256 20.841 ( 1.499 0.244 0.167) 1.528 21.060 ( -6.727 -6.730 -0.188) 9.518 21.184 ( -2.844 -1.061 -0.557) 3.086 22.248 ( -11.348 -4.400 -0.062) 12.171 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 26.485 11.300 3.468) 29.003 3.461 ( 3.090 3.738 13.903) 14.725 4.585 ( 49.096 26.998 -2.890) 56.104 5.633 ( -7.961 -4.731 3.838) 10.024 7.592 ( -1.267 2.881 0.111) 3.149 7.950 ( 0.111 -2.663 -3.978) 4.789 8.176 ( 2.036 2.364 1.239) 3.356 9.130 ( -13.201 -6.291 3.652) 15.072 9.442 ( -20.719 -14.783 1.708) 25.509 9.722 ( -10.356 -5.006 2.715) 11.818 10.253 ( -1.023 -5.403 -8.722) 10.311 10.508 ( -17.116 3.690 -4.086) 17.980 10.721 ( 6.051 -3.819 2.449) 7.563 11.330 ( -12.563 -6.579 -0.425) 14.188 11.688 ( 13.608 -2.377 -0.859) 13.841 12.315 ( -7.891 -4.087 -3.907) 9.707 12.577 ( 3.638 13.004 13.203) 18.885 13.509 ( 6.817 2.890 -5.585) 9.275 14.791 ( -11.554 5.639 1.187) 12.911 15.003 ( 3.080 -10.627 -6.194) 12.680 16.007 ( 19.584 9.880 2.924) 22.129 16.782 ( 18.341 8.947 -5.054) 21.023 17.908 ( 6.267 4.408 -2.231) 7.980 18.058 ( 6.903 3.795 2.330) 8.215 18.601 ( 11.754 7.489 2.790) 14.214 20.074 ( 0.918 1.774 0.880) 2.183 20.843 ( -5.770 -8.541 -0.661) 10.329 20.884 ( 0.459 0.803 -0.721) 1.173 21.113 ( -3.400 -1.467 -0.642) 3.758 21.990 ( -12.467 -4.423 -0.824) 13.254 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 16.005 8.952 0.629) 18.349 3.699 ( 10.832 8.003 8.924) 16.156 5.139 ( -6.863 -6.958 0.455) 9.783 5.890 ( 36.782 21.541 2.623) 42.706 7.616 ( 0.778 2.044 2.752) 3.515 7.929 ( 1.664 -1.100 -1.902) 2.756 8.259 ( 3.863 1.568 0.786) 4.242 8.836 ( -22.815 -8.100 5.512) 24.830 8.914 ( -14.870 -13.095 1.706) 19.888 9.487 ( -11.853 -6.984 0.364) 13.762 10.145 ( -4.836 6.200 -11.654) 14.058 10.230 ( -6.802 -4.148 -12.793) 15.071 10.855 ( 1.800 -3.400 3.800) 5.407 11.039 ( -8.587 -5.623 -0.250) 10.267 11.896 ( 13.081 -3.806 0.492) 13.632 12.113 ( -7.155 -3.763 -0.460) 8.098 12.835 ( 1.786 13.382 12.704) 18.538 13.618 ( 7.012 2.041 -6.147) 9.546 14.635 ( -8.334 -1.979 0.176) 8.567 14.927 ( -0.318 -3.613 -4.499) 5.779 16.402 ( 13.306 10.909 -1.577) 17.278 17.125 ( 15.155 4.179 2.640) 15.940 17.972 ( 2.167 -4.311 1.908) 5.188 18.233 ( 3.250 9.517 -1.617) 10.186 18.954 ( 17.034 7.342 5.674) 19.397 20.042 ( -7.688 -0.943 1.963) 7.990 20.661 ( -1.735 -6.617 -4.125) 7.988 20.936 ( 3.080 2.047 -1.359) 3.940 21.034 ( -3.466 -1.407 -0.546) 3.781 21.744 ( -10.233 -3.549 -0.832) 10.863 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -17.339 23.056 6.035) 29.473 2.018 ( 13.424 56.133 5.035) 57.936 3.422 ( -0.048 -2.363 20.225) 20.362 5.897 ( -0.190 -3.782 1.047) 3.929 7.621 ( 5.453 1.567 -3.352) 6.590 7.704 ( -4.959 5.602 -4.910) 8.949 8.521 ( -0.058 -12.915 -6.006) 14.243 9.601 ( -0.104 -5.306 3.781) 6.516 9.734 ( 2.742 -1.772 -2.303) 3.995 10.240 ( -3.776 -11.635 8.371) 14.823 10.473 ( -6.607 -5.450 -0.297) 8.570 10.645 ( 4.897 9.517 -5.979) 12.260 11.192 ( 5.735 -15.521 10.936) 19.834 11.564 ( -7.838 -4.798 -0.835) 9.228 11.762 ( 1.732 -0.826 -2.579) 3.214 12.049 ( 5.216 -1.537 5.740) 7.907 12.536 ( -1.865 15.779 -7.044) 17.381 13.341 ( 1.050 -10.426 0.020) 10.479 14.882 ( 9.616 -4.069 3.241) 10.933 15.074 ( -8.680 2.941 -0.271) 9.169 15.372 ( -12.237 8.864 -3.183) 15.442 15.654 ( 10.243 31.623 -9.641) 34.610 17.706 ( -1.533 -1.474 1.770) 2.767 17.817 ( 1.069 6.645 1.948) 7.007 18.183 ( 0.313 6.327 -0.176) 6.337 19.960 ( 0.111 1.862 0.773) 2.019 20.819 ( -0.158 0.460 0.549) 0.733 21.200 ( -0.934 -4.956 -0.249) 5.050 21.236 ( 0.393 -1.596 -0.434) 1.700 22.448 ( 0.534 -7.532 0.449) 7.564 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 10.674 26.848 8.972) 30.253 3.011 ( 32.676 51.499 0.088) 60.991 3.486 ( -0.931 -0.605 12.959) 13.007 5.832 ( -2.937 -5.399 2.004) 6.465 7.655 ( -2.564 3.459 -4.348) 6.119 7.770 ( 7.817 4.687 -1.331) 9.211 8.307 ( -6.074 -9.124 -2.936) 11.347 9.475 ( -6.822 -8.156 1.787) 10.782 9.771 ( 0.126 -0.851 -4.763) 4.840 10.087 ( 0.618 -15.692 8.845) 18.024 10.238 ( -12.242 -14.157 7.146) 20.034 10.712 ( -1.943 5.266 -9.101) 10.693 11.204 ( 6.487 -8.665 6.705) 12.732 11.279 ( -15.640 -6.899 -3.125) 17.377 11.679 ( -3.713 -4.721 -3.106) 6.762 12.289 ( 11.495 3.512 10.002) 15.637 12.560 ( -5.847 10.276 -7.964) 14.255 13.318 ( 4.293 -1.502 -1.014) 4.660 14.910 ( -3.880 -7.236 -5.666) 9.976 15.193 ( 21.408 2.976 5.800) 22.378 15.270 ( -11.756 11.911 1.767) 16.829 16.169 ( 16.321 30.872 -10.565) 36.484 17.708 ( 2.536 1.139 1.037) 2.967 17.917 ( 1.105 7.085 1.189) 7.269 18.317 ( 5.669 8.862 0.412) 10.528 20.002 ( 1.580 2.469 0.427) 2.962 20.829 ( 0.440 0.352 0.621) 0.838 21.089 ( -4.507 -7.847 0.605) 9.070 21.202 ( -1.512 -2.319 -0.523) 2.818 22.322 ( -5.169 -9.096 -0.637) 10.482 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 18.956 27.627 7.131) 34.256 3.531 ( 0.896 2.462 8.921) 9.298 4.118 ( 38.984 40.893 -2.937) 56.574 5.714 ( -5.269 -6.428 2.952) 8.820 7.634 ( -0.697 2.085 -2.591) 3.398 7.877 ( 1.731 -1.161 -1.767) 2.733 8.190 ( -0.223 0.860 -0.147) 0.900 9.252 ( -9.160 -10.332 2.033) 13.957 9.571 ( -11.986 -11.020 -4.583) 16.915 9.882 ( -13.999 -19.515 10.787) 26.328 10.096 ( 5.109 -4.114 -2.132) 6.897 10.604 ( -1.157 -9.286 -4.271) 10.286 10.923 ( -20.564 7.265 -1.876) 21.890 11.340 ( 9.692 -5.481 3.972) 11.822 11.529 ( -4.631 -3.870 -1.994) 6.356 12.424 ( -7.081 4.347 -7.839) 11.423 12.618 ( 9.893 3.218 11.178) 15.270 13.403 ( 4.817 3.815 -4.695) 7.733 14.732 ( -1.602 -11.384 -6.903) 13.409 15.199 ( -11.997 12.309 2.366) 17.350 15.699 ( 26.229 4.812 7.218) 27.626 16.620 ( 11.610 20.125 -7.490) 24.412 17.874 ( 8.402 10.697 -0.560) 13.614 18.000 ( 2.838 2.568 2.413) 4.525 18.539 ( 7.817 11.381 0.155) 13.808 20.059 ( 2.211 1.718 0.004) 2.800 20.840 ( -0.742 -2.722 1.607) 3.247 20.913 ( -5.590 -6.229 0.466) 8.383 21.139 ( -2.342 -2.734 -0.440) 3.627 22.098 ( -8.681 -9.055 -2.093) 12.717 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 13.644 27.654 3.803) 31.070 3.668 ( 6.223 7.151 3.272) 10.029 5.025 ( 22.260 15.403 0.359) 27.072 5.654 ( 8.400 5.115 3.091) 10.310 7.640 ( 0.369 1.235 0.017) 1.289 7.854 ( 1.567 -2.284 -2.712) 3.876 8.238 ( 1.291 1.686 1.318) 2.499 8.993 ( -9.645 -12.254 1.469) 15.663 9.132 ( -19.564 -14.638 0.448) 24.438 9.541 ( -8.896 -19.237 7.091) 22.349 10.032 ( -2.137 -4.096 -15.538) 16.211 10.440 ( -8.256 -2.115 -1.950) 8.743 10.837 ( -0.759 10.293 2.184) 10.550 11.225 ( -14.265 -2.165 -0.275) 14.431 11.621 ( 13.992 -5.444 2.574) 15.232 12.254 ( -10.633 3.321 -5.098) 12.251 12.899 ( 10.859 2.084 12.219) 16.480 13.488 ( 4.511 4.075 -7.344) 9.534 14.551 ( -0.804 -13.234 -5.525) 14.364 15.126 ( -11.345 11.518 1.058) 16.201 16.212 ( 20.893 7.106 3.717) 22.379 16.922 ( 12.139 7.789 -0.159) 14.424 17.959 ( -2.225 0.203 -0.179) 2.241 18.257 ( 9.757 14.611 0.711) 17.584 18.820 ( 11.375 11.738 1.559) 16.419 20.094 ( 0.478 -1.144 0.255) 1.266 20.661 ( -7.781 -9.371 1.895) 12.327 20.905 ( 1.859 1.743 -0.769) 2.662 21.067 ( -2.616 -2.423 -0.189) 3.570 21.844 ( -8.756 -7.528 -2.914) 11.909 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -9.924 28.144 -1.543) 29.882 2.884 ( -33.658 50.322 6.860) 60.928 3.493 ( 0.201 0.720 12.556) 12.578 5.843 ( 2.569 -4.579 1.570) 5.480 7.556 ( 1.650 0.370 -0.607) 1.797 7.851 ( -6.561 7.009 -4.198) 10.478 8.298 ( 6.759 -10.183 -2.786) 12.535 9.504 ( 8.717 -6.168 4.594) 11.624 9.651 ( -2.639 -8.552 -2.732) 9.357 10.138 ( 8.062 -13.315 7.688) 17.360 10.481 ( -1.538 -10.030 -6.030) 11.803 10.604 ( 5.700 7.586 -4.774) 10.622 10.989 ( 7.982 -9.852 11.072) 16.833 11.510 ( 0.127 -7.581 -8.704) 11.543 11.657 ( 2.911 -3.919 -2.077) 5.306 12.132 ( -6.058 0.454 13.371) 14.686 12.624 ( 5.784 11.728 -5.047) 14.017 13.293 ( -5.196 -2.646 -0.241) 5.836 14.733 ( 2.436 -9.021 2.938) 9.795 15.347 ( -15.239 -0.656 -0.690) 15.269 15.443 ( 8.227 20.139 -5.719) 22.494 16.046 ( -18.590 28.335 -6.635) 34.533 17.748 ( -2.012 3.361 -1.004) 4.044 17.903 ( -2.198 7.011 2.110) 7.644 18.299 ( -4.913 7.424 1.169) 8.978 19.996 ( -1.323 2.134 0.707) 2.608 20.836 ( -0.729 0.900 0.192) 1.174 21.123 ( 3.141 -6.040 -1.346) 6.939 21.193 ( 1.817 -2.370 -0.069) 2.988 22.297 ( 6.145 -10.796 0.872) 12.454 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -5.419 27.527 -0.575) 28.061 3.281 ( 3.966 57.783 5.762) 58.205 3.559 ( -0.759 4.628 5.617) 7.317 5.814 ( -0.544 -6.324 1.618) 6.550 7.627 ( 3.504 2.476 -3.173) 5.336 7.808 ( -2.786 6.054 0.240) 6.669 8.246 ( 0.347 -7.861 -2.324) 8.204 9.483 ( -4.133 -11.139 -0.465) 11.890 9.626 ( 9.726 -5.244 1.159) 11.110 10.028 ( -6.474 -17.958 6.999) 20.332 10.301 ( -4.613 -12.308 1.616) 13.243 10.740 ( 1.386 7.495 -9.113) 11.880 10.908 ( 2.705 -23.792 3.757) 24.238 11.480 ( -1.591 4.800 -1.344) 5.232 11.584 ( 1.961 -9.461 -2.121) 9.892 12.214 ( 4.638 0.093 9.825) 10.865 12.733 ( -5.437 13.087 -10.348) 17.548 13.246 ( 2.496 -0.167 4.473) 5.125 14.857 ( 15.887 -3.700 5.244) 17.134 15.021 ( -15.392 -3.349 -4.668) 16.429 15.639 ( -7.025 17.214 0.879) 18.614 16.233 ( 6.462 34.291 -7.500) 35.691 17.731 ( -2.400 3.672 0.400) 4.404 17.982 ( 0.802 7.929 -0.539) 7.988 18.361 ( 0.877 10.897 1.052) 10.983 20.017 ( 0.146 3.030 0.486) 3.072 20.838 ( -0.307 0.887 0.520) 1.073 21.054 ( -0.997 -9.349 -0.170) 9.403 21.184 ( 0.095 -2.994 -0.469) 3.032 22.245 ( 0.894 -12.541 0.038) 12.573 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 13.166 28.958 3.665) 32.021 3.572 ( 0.886 1.741 3.574) 4.073 4.107 ( 16.694 56.115 -1.043) 58.555 5.722 ( -2.634 -8.125 1.807) 8.730 7.629 ( -0.656 1.422 -5.926) 6.129 7.873 ( 0.599 1.499 3.172) 3.559 8.187 ( 0.335 0.505 -1.490) 1.609 9.274 ( -6.074 -13.142 0.086) 14.478 9.645 ( -7.613 -5.961 -4.984) 10.878 9.762 ( -0.535 -25.046 5.128) 25.571 10.103 ( -4.709 -9.520 11.706) 15.806 10.531 ( -6.177 -14.195 -7.097) 17.030 10.966 ( 10.411 -2.926 -3.010) 11.225 11.380 ( -7.702 -0.938 1.594) 7.921 11.577 ( -3.031 3.265 0.768) 4.521 12.378 ( 10.888 -4.206 5.994) 13.121 12.633 ( -7.796 7.550 -10.686) 15.230 13.371 ( 3.824 5.793 1.989) 7.221 14.720 ( -10.652 -5.655 -5.530) 13.267 15.193 ( 19.887 -4.821 5.576) 21.209 15.684 ( -6.955 20.183 4.964) 21.918 16.657 ( 7.714 26.485 -6.749) 28.399 17.824 ( 7.185 9.748 1.378) 12.188 18.041 ( -1.137 4.096 -0.220) 4.256 18.549 ( 5.580 14.449 -0.968) 15.519 20.053 ( 0.419 2.134 -0.098) 2.177 20.844 ( -0.775 -0.995 1.747) 2.155 20.922 ( -2.825 -8.735 1.207) 9.259 21.136 ( -1.338 -3.534 -0.569) 3.822 22.085 ( -3.904 -12.556 -1.760) 13.266 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 18.858 30.152 4.158) 35.806 3.653 ( 3.837 6.554 -2.508) 7.998 4.904 ( 17.695 35.757 1.465) 39.923 5.617 ( -0.066 -4.123 1.284) 4.319 7.609 ( 1.231 0.521 -4.609) 4.799 7.855 ( -2.907 -0.054 0.729) 2.997 8.239 ( 1.944 2.741 -0.083) 3.361 9.017 ( -7.726 -14.053 -0.398) 16.042 9.271 ( -16.745 -16.001 -1.241) 23.194 9.466 ( -5.043 -26.921 4.785) 27.804 10.028 ( -7.328 -4.953 -3.724) 9.597 10.383 ( 5.631 -6.310 4.433) 9.549 11.010 ( -2.896 3.867 -4.357) 6.506 11.370 ( 8.970 -4.594 2.385) 10.356 11.507 ( -13.615 9.709 3.130) 17.013 12.442 ( -8.064 7.420 -10.210) 14.977 12.644 ( 15.993 -9.623 5.646) 19.500 13.483 ( 1.323 7.064 -0.686) 7.219 14.471 ( -6.778 -8.151 -5.226) 11.819 15.359 ( -0.363 1.656 1.754) 2.439 15.975 ( 14.457 13.416 7.628) 21.147 16.904 ( 2.783 13.987 -2.756) 14.525 18.013 ( -3.443 -0.038 -0.484) 3.477 18.192 ( 15.394 16.285 1.732) 22.476 18.805 ( 7.093 16.156 -2.157) 17.776 20.058 ( 0.221 -2.281 -0.807) 2.430 20.723 ( -6.622 -9.328 5.405) 12.652 20.897 ( 0.859 1.518 0.029) 1.744 21.072 ( -1.492 -3.325 -0.342) 3.660 21.861 ( -6.130 -10.742 -3.447) 12.839 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -14.515 29.231 -1.492) 32.670 3.497 ( -1.940 1.439 11.748) 11.993 4.115 ( -41.447 41.929 -1.545) 58.977 5.726 ( 6.196 -5.810 1.399) 8.609 7.555 ( -0.709 -0.424 2.114) 2.269 7.942 ( -0.837 -0.611 -4.472) 4.590 8.164 ( 0.073 0.641 1.240) 1.397 9.257 ( 11.080 -10.898 2.495) 15.741 9.591 ( 0.589 -10.662 1.036) 10.729 9.793 ( 18.424 -14.008 1.767) 23.212 10.283 ( 3.860 -10.896 -8.704) 14.470 10.477 ( 7.725 -7.065 -1.201) 10.537 10.883 ( 6.851 6.248 6.062) 11.078 11.416 ( 4.195 -6.659 -2.413) 8.232 11.622 ( -8.028 1.221 -4.411) 9.241 12.346 ( -8.484 -2.098 11.368) 14.339 12.532 ( 10.030 5.801 -1.007) 11.630 13.415 ( -7.116 3.675 -2.884) 8.513 14.636 ( -0.850 -12.381 3.698) 12.949 15.292 ( 12.248 10.792 -5.288) 17.160 15.766 ( -18.512 9.227 -3.545) 20.986 16.599 ( -18.636 19.038 -1.097) 26.664 17.861 ( -4.773 10.920 -2.593) 12.197 18.026 ( -3.575 3.132 1.461) 4.972 18.515 ( -9.091 10.284 2.701) 13.990 20.046 ( -1.656 0.939 0.736) 2.041 20.862 ( -1.110 0.910 -0.433) 1.499 20.959 ( 6.995 -6.138 -2.793) 9.716 21.130 ( 2.398 -3.009 0.078) 3.848 22.058 ( 8.737 -11.373 1.408) 14.411 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -14.602 28.490 -5.202) 32.434 3.552 ( -0.467 2.415 6.681) 7.119 4.090 ( -16.602 55.180 0.080) 57.623 5.740 ( 2.240 -6.891 0.194) 7.249 7.596 ( 2.331 2.316 1.437) 3.587 7.880 ( -1.601 -1.536 -1.975) 2.971 8.185 ( 0.134 1.392 0.245) 1.419 9.304 ( 7.356 -13.535 -3.210) 15.736 9.472 ( 1.563 -13.570 5.550) 14.744 9.980 ( 9.575 -9.938 8.194) 16.050 10.078 ( -0.073 -19.073 -9.376) 21.254 10.589 ( 10.540 -5.032 0.150) 11.680 10.890 ( -12.833 -8.173 0.214) 15.216 11.409 ( 5.310 3.042 -3.993) 7.307 11.512 ( 0.928 -4.988 -0.141) 5.076 12.264 ( -5.346 -2.424 9.920) 11.527 12.798 ( 7.673 12.348 -8.282) 16.732 13.321 ( -5.810 3.133 4.014) 7.726 14.625 ( 8.471 -6.863 4.899) 11.952 15.246 ( -15.434 -5.026 -2.740) 16.462 15.818 ( 4.964 22.925 -5.453) 24.081 16.549 ( -9.247 23.342 -0.252) 25.109 17.871 ( -6.205 9.174 -0.232) 11.078 18.040 ( 0.170 7.020 -1.894) 7.273 18.522 ( -4.912 12.801 1.975) 13.852 20.053 ( -0.168 2.600 0.669) 2.690 20.858 ( -0.246 1.037 -0.276) 1.101 20.934 ( 2.208 -10.438 -2.071) 10.868 21.136 ( 1.567 -3.255 -0.096) 3.614 22.065 ( 4.880 -13.141 1.669) 14.117 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -0.795 26.652 -2.198) 26.754 3.594 ( 0.016 3.915 -0.730) 3.982 4.550 ( 1.234 56.271 0.702) 56.288 5.674 ( -0.968 -7.586 -0.504) 7.664 7.630 ( -0.772 1.645 -3.983) 4.378 7.882 ( 1.966 -0.044 3.374) 3.905 8.196 ( -0.610 3.114 -0.985) 3.323 9.191 ( -1.016 -14.064 -3.283) 14.478 9.430 ( 6.197 -21.580 2.564) 22.598 9.773 ( -8.773 -10.916 -1.749) 14.113 10.080 ( 4.681 -11.438 9.138) 15.371 10.441 ( -9.571 -20.405 3.494) 22.808 10.802 ( 7.232 6.543 -6.242) 11.579 11.329 ( -0.635 -14.179 -0.364) 14.198 11.677 ( 5.171 11.858 0.333) 12.941 12.233 ( 2.012 -6.413 5.304) 8.562 12.811 ( -9.271 9.407 -12.766) 18.369 13.400 ( 3.144 6.765 6.648) 9.992 14.802 ( 7.209 -7.622 1.154) 10.554 14.923 ( -5.810 -2.132 1.425) 6.351 16.022 ( -4.611 19.057 1.243) 19.646 16.772 ( 5.265 24.963 -3.780) 25.791 17.875 ( -1.166 8.652 1.323) 8.830 18.097 ( -1.171 5.511 -1.696) 5.883 18.635 ( 1.123 16.199 -1.043) 16.272 20.081 ( -0.571 2.355 0.024) 2.424 20.833 ( 0.382 -12.178 0.767) 12.209 20.872 ( 0.159 1.799 0.397) 1.849 21.110 ( -0.255 -3.822 -0.294) 3.842 21.980 ( -0.015 -13.380 0.232) 13.382 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 17.550 23.657 1.572) 29.498 3.646 ( 1.973 8.613 -6.903) 11.213 5.107 ( 4.983 30.266 2.610) 30.785 5.609 ( -0.631 7.846 -1.808) 8.077 7.595 ( -1.279 1.859 -4.644) 5.163 7.912 ( -1.485 0.870 1.728) 2.439 8.234 ( 1.256 3.710 -1.177) 4.090 8.965 ( -4.888 -15.886 -3.413) 16.967 9.209 ( -2.070 -29.352 -1.030) 29.443 9.462 ( -14.641 -12.300 2.454) 19.279 10.064 ( -4.404 -9.458 5.525) 11.806 10.260 ( 4.755 -5.927 9.158) 11.900 10.960 ( 6.625 4.739 -5.486) 9.820 11.203 ( 3.450 -11.738 0.036) 12.234 11.838 ( -3.614 13.760 4.178) 14.827 12.277 ( 10.460 -9.952 2.331) 14.625 12.634 ( -10.544 7.311 -13.681) 18.756 13.542 ( 1.196 6.805 4.097) 8.033 14.546 ( -12.118 -6.098 -4.006) 14.145 15.158 ( 16.938 -4.839 5.014) 18.315 16.137 ( -3.837 18.704 4.848) 19.699 17.020 ( 0.457 15.887 -3.144) 16.202 18.047 ( 1.590 1.897 -2.446) 3.480 18.121 ( 7.345 11.525 2.900) 13.970 18.855 ( 5.157 18.836 -3.975) 19.929 20.047 ( -2.812 -3.662 -1.226) 4.777 20.739 ( -1.098 -8.397 5.541) 10.120 20.903 ( 0.629 2.198 0.702) 2.391 21.056 ( -1.142 -3.754 -0.195) 3.928 21.813 ( -3.658 -11.829 -1.965) 12.536 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -0.000 0.000 6.139) 6.139 1.376 ( -0.000 0.000 6.139) 6.139 3.565 ( -0.000 0.000 16.564) 16.564 5.935 ( -0.000 0.000 0.042) 0.042 7.599 ( 0.000 -0.000 -3.568) 3.568 7.599 ( 0.000 -0.000 -3.568) 3.568 8.636 ( 0.000 -0.000 -6.347) 6.347 9.705 ( -0.000 0.000 1.159) 1.159 9.705 ( -0.000 0.000 1.159) 1.159 10.355 ( -0.000 0.000 1.838) 1.838 10.537 ( 0.000 0.000 -0.389) 0.389 10.537 ( 0.000 0.000 -0.389) 0.389 11.556 ( -0.000 0.000 9.304) 9.304 11.556 ( -0.000 0.000 9.304) 9.304 11.707 ( 0.000 -0.000 -0.879) 0.879 12.197 ( 0.000 -0.000 -6.071) 6.071 12.197 ( 0.000 0.000 -6.071) 6.071 13.467 ( 0.000 -0.000 -1.987) 1.987 14.993 ( -0.000 0.000 3.706) 3.706 14.993 ( -0.000 0.000 3.706) 3.706 15.259 ( 0.000 -0.000 -5.727) 5.727 15.259 ( 0.000 -0.000 -5.727) 5.727 17.755 ( -0.000 0.000 1.982) 1.982 17.755 ( -0.000 0.000 1.982) 1.982 18.103 ( 0.000 -0.000 -1.002) 1.002 19.945 ( -0.000 0.000 0.631) 0.631 20.817 ( -0.000 0.000 0.485) 0.485 21.249 ( 0.000 -0.000 -0.255) 0.255 21.249 ( 0.000 -0.000 -0.255) 0.255 22.528 ( -0.000 0.000 0.376) 0.376 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 19.698 2.953 6.468) 20.942 2.115 ( 46.271 32.835 0.224) 56.738 3.602 ( -3.345 -1.962 10.651) 11.336 5.907 ( -2.465 -1.557 0.474) 2.954 7.572 ( -1.254 2.291 -0.746) 2.717 7.682 ( 8.438 2.167 -3.615) 9.432 8.463 ( -10.376 -5.957 -3.186) 12.382 9.616 ( -5.763 -4.437 3.287) 7.981 9.736 ( -1.122 1.873 -3.064) 3.762 10.370 ( -3.881 -6.877 7.372) 10.802 10.432 ( -3.556 -3.861 -1.244) 5.394 10.564 ( 1.147 4.135 -4.265) 6.050 11.310 ( -17.459 -4.068 8.842) 19.989 11.556 ( -3.309 -11.640 -4.770) 13.007 11.698 ( -4.165 0.618 -1.008) 4.329 12.205 ( 6.241 10.348 9.164) 15.166 12.372 ( 8.962 0.767 -8.284) 12.228 13.364 ( -4.949 -2.243 -1.409) 5.613 14.961 ( -6.805 9.294 3.505) 12.041 15.072 ( 4.822 -10.472 -5.579) 12.808 15.273 ( 12.275 0.500 3.672) 12.822 15.591 ( 22.046 18.641 -6.418) 29.575 17.733 ( -1.284 -1.631 0.279) 2.094 17.816 ( 4.135 2.981 1.954) 5.459 18.187 ( 6.485 3.985 -0.178) 7.613 19.968 ( 1.622 1.007 0.398) 1.950 20.825 ( 0.508 0.205 0.295) 0.622 21.200 ( -3.955 -2.925 -0.225) 4.924 21.230 ( -1.698 -0.642 -0.135) 1.820 22.452 ( -6.683 -3.572 0.200) 7.581 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 24.841 11.809 4.288) 27.837 3.338 ( 53.911 32.615 -0.539) 63.011 3.573 ( -1.694 -1.241 4.096) 4.603 5.821 ( -5.308 -3.201 0.763) 6.245 7.586 ( 0.099 2.115 1.264) 2.466 7.842 ( 7.427 2.393 -3.360) 8.495 8.228 ( -7.287 -3.761 -0.180) 8.203 9.441 ( -10.436 -6.365 3.382) 12.683 9.679 ( -2.882 -2.824 -4.051) 5.718 10.086 ( -19.002 -5.090 1.289) 19.714 10.332 ( -3.849 -10.653 -1.736) 11.459 10.622 ( 0.839 4.157 2.840) 5.104 10.938 ( -20.133 -8.811 0.755) 21.990 11.486 ( 7.928 -2.536 -1.822) 8.520 11.566 ( -8.773 -3.508 -0.307) 9.453 12.366 ( -0.736 -2.230 -6.928) 7.315 12.527 ( 7.025 10.451 12.314) 17.612 13.326 ( 3.095 1.040 -4.509) 5.568 14.938 ( -10.344 8.498 3.016) 13.723 14.975 ( 4.529 -12.516 -6.469) 14.798 15.623 ( 17.012 9.546 3.116) 19.755 16.191 ( 28.038 15.812 -3.033) 32.332 17.742 ( 2.990 2.753 -0.871) 4.156 17.957 ( 6.554 2.759 2.283) 7.469 18.370 ( 9.128 5.672 0.064) 10.747 20.021 ( 2.632 1.703 0.097) 3.137 20.843 ( 1.075 0.487 -0.012) 1.181 21.055 ( -7.743 -5.314 -0.245) 9.394 21.180 ( -2.800 -1.371 0.040) 3.118 22.246 ( -11.064 -5.883 -0.098) 12.531 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -4.295 19.576 -0.366) 20.045 2.089 ( 3.311 55.603 2.906) 55.777 3.650 ( -0.019 -4.003 5.287) 6.632 5.908 ( -0.065 -2.749 0.274) 2.763 7.580 ( 1.973 0.965 -1.458) 2.636 7.653 ( -1.833 7.482 -0.592) 7.726 8.450 ( 0.012 -11.396 -1.763) 11.532 9.656 ( -3.006 -5.702 0.942) 6.515 9.694 ( 3.887 -2.239 -0.531) 4.517 10.368 ( -5.648 -9.059 5.770) 12.134 10.461 ( 4.313 -3.754 -1.738) 5.976 10.551 ( -0.225 5.168 -3.736) 6.381 11.363 ( 2.935 -18.715 6.529) 20.037 11.509 ( -3.941 -8.582 -3.480) 10.065 11.707 ( 1.024 -3.720 -2.204) 4.444 12.201 ( 3.139 6.873 9.728) 12.318 12.386 ( -2.555 15.121 -9.520) 18.050 13.346 ( 0.353 -7.411 0.627) 7.446 14.960 ( 11.011 -3.493 5.265) 12.695 15.037 ( -11.469 -1.022 -3.408) 12.008 15.335 ( -4.208 11.774 -2.250) 12.705 15.544 ( 4.426 29.017 -1.969) 29.419 17.728 ( -0.625 -2.325 0.756) 2.523 17.834 ( 0.475 5.830 -0.055) 5.850 18.184 ( 0.094 7.492 0.169) 7.495 19.969 ( 0.029 1.857 0.227) 1.871 20.826 ( -0.039 0.475 0.191) 0.513 21.198 ( -0.236 -4.939 -0.007) 4.945 21.230 ( 0.107 -1.714 -0.206) 1.729 22.453 ( 0.122 -7.624 0.112) 7.626 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 14.181 24.099 5.842) 28.565 2.976 ( 30.780 53.856 -3.731) 62.144 3.605 ( -1.657 -2.990 0.192) 3.424 5.854 ( -2.459 -4.364 0.357) 5.022 7.581 ( 0.534 0.505 -3.234) 3.316 7.788 ( 4.328 8.035 2.697) 9.517 8.276 ( -5.130 -9.022 -0.321) 10.384 9.518 ( -5.140 -10.069 2.410) 11.559 9.676 ( -3.330 -1.362 -5.034) 6.187 10.194 ( -2.452 -15.631 2.242) 15.980 10.368 ( -10.467 -8.478 6.943) 15.154 10.586 ( 2.426 1.973 -3.809) 4.928 11.159 ( -4.136 -14.044 -8.007) 16.687 11.357 ( -6.418 -2.050 8.345) 10.725 11.645 ( -2.944 -4.543 -0.681) 5.456 12.341 ( -1.004 5.547 -8.799) 10.450 12.509 ( 9.569 5.606 6.444) 12.826 13.299 ( -0.485 0.564 -0.904) 1.170 14.808 ( -5.890 -7.030 -5.377) 10.631 15.312 ( -1.762 3.977 3.307) 5.464 15.319 ( 13.813 11.401 7.177) 19.295 16.034 ( 15.619 30.268 -4.307) 34.331 17.728 ( 2.132 1.599 1.199) 2.923 17.925 ( 2.659 6.190 -0.375) 6.747 18.316 ( 5.135 8.870 -0.615) 10.268 20.004 ( 1.376 2.334 -0.160) 2.714 20.837 ( 0.444 0.746 0.206) 0.892 21.103 ( -4.118 -6.953 0.965) 8.139 21.195 ( -1.383 -2.537 -0.243) 2.899 22.311 ( -5.815 -10.070 -0.666) 11.648 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -0.000 0.000 0.000) 0.000 1.431 ( -0.000 0.000 0.000) 0.000 3.714 ( -0.000 0.000 0.000) 0.000 5.935 ( -0.000 0.000 0.000) 0.000 7.567 ( -0.000 0.000 0.000) 0.000 7.567 ( -0.000 0.000 0.000) 0.000 8.578 ( -0.000 0.000 0.000) 0.000 9.716 ( -0.000 0.000 0.000) 0.000 9.716 ( -0.000 0.000 0.000) 0.000 10.372 ( -0.000 0.000 0.000) 0.000 10.533 ( -0.000 0.000 0.000) 0.000 10.533 ( -0.000 0.000 0.000) 0.000 11.650 ( -0.000 0.000 0.000) 0.000 11.650 ( -0.000 0.000 0.000) 0.000 11.699 ( -0.000 0.000 0.000) 0.000 12.132 ( -0.000 0.000 0.000) 0.000 12.132 ( -0.000 0.000 0.000) 0.000 13.449 ( -0.000 0.000 0.000) 0.000 15.040 ( -0.000 0.000 0.000) 0.000 15.040 ( -0.000 0.000 0.000) 0.000 15.195 ( -0.000 0.000 0.000) 0.000 15.195 ( -0.000 0.000 0.000) 0.000 17.773 ( -0.000 0.000 0.000) 0.000 17.773 ( -0.000 0.000 0.000) 0.000 18.094 ( -0.000 0.000 0.000) 0.000 19.951 ( -0.000 0.000 0.000) 0.000 20.822 ( -0.000 0.000 0.000) 0.000 21.247 ( -0.000 0.000 0.000) 0.000 21.247 ( -0.000 0.000 0.000) 0.000 22.532 ( -0.000 0.000 0.000) 0.000 =================== 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 3/51840 10.0 1345.250 1345.250 634.499 0.000 -0.000 -0.000 3/51840 20.0 1689.951 1689.951 310.581 0.000 -0.000 -0.000 3/51840 30.0 1574.492 1574.492 225.131 0.000 -0.000 -0.000 3/51840 40.0 1266.800 1266.800 179.397 0.000 -0.000 -0.000 3/51840 50.0 911.719 911.719 139.668 0.000 -0.000 -0.000 3/51840 60.0 631.109 631.109 106.042 0.000 -0.000 -0.000 3/51840 70.0 442.102 442.102 80.201 0.000 -0.000 -0.000 3/51840 80.0 320.372 320.372 61.491 0.000 -0.000 -0.000 3/51840 90.0 241.232 241.232 48.231 0.000 -0.000 -0.000 3/51840 100.0 188.216 188.216 38.802 0.000 -0.000 -0.000 3/51840 110.0 151.434 151.434 31.988 0.000 -0.000 -0.000 3/51840 120.0 125.036 125.036 26.956 0.000 -0.000 -0.000 3/51840 130.0 105.502 105.502 23.153 0.000 -0.000 -0.000 3/51840 140.0 90.655 90.655 20.213 0.000 -0.000 -0.000 3/51840 150.0 79.102 79.102 17.894 0.000 -0.000 -0.000 3/51840 160.0 69.928 69.928 16.028 0.000 -0.000 -0.000 3/51840 170.0 62.513 62.513 14.503 0.000 -0.000 -0.000 3/51840 180.0 56.424 56.424 13.238 0.000 -0.000 -0.000 3/51840 190.0 51.355 51.355 12.173 0.000 -0.000 -0.000 3/51840 200.0 47.084 47.084 11.267 0.000 -0.000 -0.000 3/51840 210.0 43.445 43.445 10.487 0.000 -0.000 -0.000 3/51840 220.0 40.313 40.313 9.810 0.000 -0.000 -0.000 3/51840 230.0 37.595 37.595 9.217 0.000 -0.000 -0.000 3/51840 240.0 35.216 35.216 8.694 0.000 -0.000 -0.000 3/51840 250.0 33.120 33.120 8.228 0.000 -0.000 -0.000 3/51840 260.0 31.259 31.259 7.812 0.000 -0.000 -0.000 3/51840 270.0 29.598 29.598 7.437 0.000 -0.000 -0.000 3/51840 280.0 28.107 28.107 7.098 0.000 -0.000 -0.000 3/51840 290.0 26.761 26.761 6.790 0.000 -0.000 -0.000 3/51840 300.0 25.541 25.541 6.509 0.000 -0.000 -0.000 3/51840 310.0 24.430 24.430 6.251 0.000 -0.000 -0.000 3/51840 320.0 23.414 23.414 6.014 0.000 -0.000 -0.000 3/51840 330.0 22.482 22.482 5.795 0.000 -0.000 -0.000 3/51840 340.0 21.623 21.623 5.592 0.000 -0.000 -0.000 3/51840 350.0 20.830 20.830 5.403 0.000 -0.000 -0.000 3/51840 360.0 20.095 20.095 5.228 0.000 -0.000 -0.000 3/51840 370.0 19.412 19.412 5.064 0.000 -0.000 -0.000 3/51840 380.0 18.776 18.776 4.910 0.000 -0.000 -0.000 3/51840 390.0 18.182 18.182 4.766 0.000 -0.000 -0.000 3/51840 400.0 17.625 17.625 4.630 0.000 -0.000 -0.000 3/51840 410.0 17.103 17.103 4.502 0.000 -0.000 -0.000 3/51840 420.0 16.613 16.613 4.382 0.000 -0.000 -0.000 3/51840 430.0 16.150 16.150 4.268 0.000 -0.000 -0.000 3/51840 440.0 15.714 15.714 4.160 0.000 -0.000 -0.000 3/51840 450.0 15.302 15.302 4.057 0.000 -0.000 -0.000 3/51840 460.0 14.912 14.912 3.960 0.000 -0.000 -0.000 3/51840 470.0 14.541 14.541 3.867 0.000 -0.000 -0.000 3/51840 480.0 14.190 14.190 3.779 0.000 -0.000 -0.000 3/51840 490.0 13.856 13.856 3.695 0.000 -0.000 -0.000 3/51840 500.0 13.538 13.538 3.615 0.000 -0.000 -0.000 3/51840 510.0 13.234 13.234 3.538 0.000 -0.000 -0.000 3/51840 520.0 12.945 12.945 3.464 0.000 -0.000 -0.000 3/51840 530.0 12.668 12.668 3.394 0.000 -0.000 -0.000 3/51840 540.0 12.403 12.403 3.326 0.000 -0.000 -0.000 3/51840 550.0 12.150 12.150 3.262 0.000 -0.000 -0.000 3/51840 560.0 11.907 11.907 3.199 0.000 -0.000 -0.000 3/51840 570.0 11.674 11.674 3.139 0.000 -0.000 -0.000 3/51840 580.0 11.450 11.450 3.082 0.000 -0.000 -0.000 3/51840 590.0 11.235 11.235 3.026 0.000 -0.000 -0.000 3/51840 600.0 11.028 11.028 2.973 0.000 -0.000 -0.000 3/51840 610.0 10.829 10.829 2.921 0.000 -0.000 -0.000 3/51840 620.0 10.638 10.638 2.872 0.000 -0.000 -0.000 3/51840 630.0 10.453 10.453 2.824 0.000 -0.000 -0.000 3/51840 640.0 10.274 10.274 2.777 0.000 -0.000 -0.000 3/51840 650.0 10.102 10.102 2.732 0.000 -0.000 -0.000 3/51840 660.0 9.936 9.936 2.689 0.000 -0.000 -0.000 3/51840 670.0 9.775 9.775 2.647 0.000 -0.000 -0.000 3/51840 680.0 9.619 9.619 2.606 0.000 -0.000 -0.000 3/51840 690.0 9.469 9.469 2.567 0.000 -0.000 -0.000 3/51840 700.0 9.323 9.323 2.529 0.000 -0.000 -0.000 3/51840 710.0 9.182 9.182 2.491 0.000 -0.000 -0.000 3/51840 720.0 9.045 9.045 2.455 0.000 -0.000 -0.000 3/51840 730.0 8.912 8.912 2.420 0.000 -0.000 -0.000 3/51840 740.0 8.784 8.784 2.387 0.000 -0.000 -0.000 3/51840 750.0 8.659 8.659 2.354 0.000 -0.000 -0.000 3/51840 760.0 8.537 8.537 2.321 0.000 -0.000 -0.000 3/51840 770.0 8.419 8.419 2.290 0.000 -0.000 -0.000 3/51840 780.0 8.305 8.305 2.260 0.000 -0.000 -0.000 3/51840 790.0 8.193 8.193 2.230 0.000 -0.000 -0.000 3/51840 800.0 8.085 8.085 2.202 0.000 -0.000 -0.000 3/51840 810.0 7.979 7.979 2.174 0.000 -0.000 -0.000 3/51840 820.0 7.876 7.876 2.146 0.000 -0.000 -0.000 3/51840 830.0 7.776 7.776 2.120 0.000 -0.000 -0.000 3/51840 840.0 7.678 7.678 2.094 0.000 -0.000 -0.000 3/51840 850.0 7.583 7.583 2.068 0.000 -0.000 -0.000 3/51840 860.0 7.491 7.491 2.044 0.000 -0.000 -0.000 3/51840 870.0 7.400 7.400 2.019 0.000 -0.000 -0.000 3/51840 880.0 7.312 7.312 1.996 0.000 -0.000 -0.000 3/51840 890.0 7.226 7.226 1.973 0.000 -0.000 -0.000 3/51840 900.0 7.142 7.142 1.950 0.000 -0.000 -0.000 3/51840 910.0 7.060 7.060 1.928 0.000 -0.000 -0.000 3/51840 920.0 6.980 6.980 1.907 0.000 -0.000 -0.000 3/51840 930.0 6.901 6.901 1.886 0.000 -0.000 -0.000 3/51840 940.0 6.825 6.825 1.865 0.000 -0.000 -0.000 3/51840 950.0 6.750 6.750 1.845 0.000 -0.000 -0.000 3/51840 960.0 6.677 6.677 1.826 0.000 -0.000 -0.000 3/51840 970.0 6.605 6.605 1.807 0.000 -0.000 -0.000 3/51840 980.0 6.535 6.535 1.788 0.000 -0.000 -0.000 3/51840 990.0 6.467 6.467 1.769 0.000 -0.000 -0.000 3/51840 1000.0 6.399 6.399 1.751 0.000 -0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:28:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|