----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:54:18]------------------------- 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 2.521314575962011 1.455681649143391 5.446946776666659 b -2.521314575962006 1.455681649143391 5.446946776666659 c 0.000000000000002 -2.911363298286787 5.446946776666659 Atomic positions (fractional): *1 B 0.76582688687050 0.76582688687050 0.76582688687050 10.811 2 B 0.23417311312950 0.23417311312951 0.23417311312950 10.811 *3 O 0.56098617347125 0.07312685323504 0.65471219867159 15.999 4 O 0.07312685323504 0.65471219867160 0.56098617347125 15.999 5 O 0.34528780132840 0.43901382652875 0.92687314676496 15.999 6 O 0.43901382652875 0.92687314676496 0.34528780132840 15.999 7 O 0.92687314676496 0.34528780132841 0.43901382652874 15.999 8 O 0.65471219867159 0.56098617347126 0.07312685323504 15.999 *9 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 *10 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.042629151924018 0.000000000000000 0.000000000000000 b -2.521314575962009 4.367044947430179 0.000000000000000 c 0.000000000000000 0.000000000000000 16.340840329999995 Atomic positions (fractional): *1 B 0.00000000000000 0.00000000000000 0.76582688687050 10.811 > 1 2 B 0.33333333333333 0.66666666666667 0.90083977979617 10.811 > 2 3 B 0.66666666666667 0.33333333333333 0.09916022020383 10.811 > 1 4 B 0.00000000000000 0.00000000000000 0.23417311312950 10.811 > 2 5 B 0.33333333333333 0.66666666666667 0.43249355353716 10.811 > 1 6 B 0.66666666666667 0.33333333333333 0.56750644646284 10.811 > 2 *7 O 0.79804443167863 0.10822954312103 0.76294174179263 15.999 > 3 8 O 0.31018511144241 0.20195556832137 0.76294174179263 15.999 > 4 9 O 0.44156287645437 0.97685177810908 0.90372492487404 15.999 > 5 10 O 0.53528890165471 0.55843712354563 0.90372492487404 15.999 > 6 11 O 0.02314822189092 0.46471109834529 0.90372492487404 15.999 > 7 12 O 0.89177045687896 0.68981488855759 0.76294174179263 15.999 > 8 13 O 0.46471109834529 0.44156287645437 0.09627507512596 15.999 > 3 14 O 0.97685177810908 0.53528890165471 0.09627507512596 15.999 > 4 15 O 0.10822954312103 0.31018511144241 0.23705825820737 15.999 > 5 16 O 0.20195556832137 0.89177045687896 0.23705825820737 15.999 > 6 17 O 0.68981488855759 0.79804443167863 0.23705825820737 15.999 > 7 18 O 0.55843712354563 0.02314822189092 0.09627507512596 15.999 > 8 19 O 0.13137776501196 0.77489620978770 0.42960840845929 15.999 > 3 20 O 0.64351844477574 0.86862223498804 0.42960840845929 15.999 > 4 21 O 0.77489620978770 0.64351844477574 0.57039159154070 15.999 > 5 22 O 0.86862223498804 0.22510379021230 0.57039159154070 15.999 > 6 23 O 0.35648155522426 0.13137776501196 0.57039159154070 15.999 > 7 24 O 0.22510379021230 0.35648155522426 0.42960840845929 15.999 > 8 *25 Ti 0.66666666666667 0.33333333333333 0.83333333333333 47.867 > 9 26 Ti 0.33333333333333 0.66666666666667 0.16666666666667 47.867 > 9 27 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 9 *28 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 10 29 Ba 0.66666666666667 0.33333333333333 0.33333333333333 137.327 > 10 30 Ba 0.33333333333333 0.66666666666667 0.66666666666667 137.327 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.085258303848036 0.000000000000000 0.000000000000000 b -5.042629151924018 8.734089894860357 0.000000000000000 c 0.000000000000000 0.000000000000000 16.340840329999995 Atomic positions (fractional): *1 B 0.00000000000000 0.00000000000000 0.76582688687050 10.811 > 1 2 B 0.50000000000000 0.00000000000000 0.76582688687050 10.811 > 1 3 B 0.00000000000000 0.50000000000000 0.76582688687050 10.811 > 1 4 B 0.50000000000000 0.50000000000000 0.76582688687050 10.811 > 1 5 B 0.16666666666667 0.33333333333333 0.90083977979617 10.811 > 2 6 B 0.66666666666667 0.33333333333333 0.90083977979617 10.811 > 2 7 B 0.16666666666667 0.83333333333333 0.90083977979617 10.811 > 2 8 B 0.66666666666667 0.83333333333333 0.90083977979617 10.811 > 2 9 B 0.33333333333333 0.16666666666667 0.09916022020383 10.811 > 1 10 B 0.83333333333333 0.16666666666667 0.09916022020383 10.811 > 1 11 B 0.33333333333333 0.66666666666667 0.09916022020383 10.811 > 1 12 B 0.83333333333333 0.66666666666667 0.09916022020383 10.811 > 1 13 B 0.00000000000000 0.00000000000000 0.23417311312950 10.811 > 2 14 B 0.50000000000000 0.00000000000000 0.23417311312950 10.811 > 2 15 B 0.00000000000000 0.50000000000000 0.23417311312950 10.811 > 2 16 B 0.50000000000000 0.50000000000000 0.23417311312950 10.811 > 2 17 B 0.16666666666667 0.33333333333333 0.43249355353716 10.811 > 1 18 B 0.66666666666667 0.33333333333333 0.43249355353716 10.811 > 1 19 B 0.16666666666667 0.83333333333333 0.43249355353716 10.811 > 1 20 B 0.66666666666667 0.83333333333333 0.43249355353716 10.811 > 1 21 B 0.33333333333333 0.16666666666667 0.56750644646284 10.811 > 2 22 B 0.83333333333333 0.16666666666667 0.56750644646284 10.811 > 2 23 B 0.33333333333333 0.66666666666667 0.56750644646284 10.811 > 2 24 B 0.83333333333333 0.66666666666667 0.56750644646284 10.811 > 2 *25 O 0.39902221583931 0.05411477156052 0.76294174179263 15.999 > 3 26 O 0.89902221583931 0.05411477156052 0.76294174179263 15.999 > 3 27 O 0.39902221583931 0.55411477156052 0.76294174179263 15.999 > 3 28 O 0.89902221583931 0.55411477156052 0.76294174179263 15.999 > 3 29 O 0.15509255572120 0.10097778416069 0.76294174179263 15.999 > 4 30 O 0.65509255572120 0.10097778416069 0.76294174179263 15.999 > 4 31 O 0.15509255572120 0.60097778416069 0.76294174179263 15.999 > 4 32 O 0.65509255572120 0.60097778416069 0.76294174179263 15.999 > 4 33 O 0.22078143822718 0.48842588905454 0.90372492487404 15.999 > 5 34 O 0.72078143822718 0.48842588905454 0.90372492487404 15.999 > 5 35 O 0.22078143822718 0.98842588905454 0.90372492487404 15.999 > 5 36 O 0.72078143822718 0.98842588905454 0.90372492487404 15.999 > 5 37 O 0.26764445082735 0.27921856177282 0.90372492487404 15.999 > 6 38 O 0.76764445082735 0.27921856177282 0.90372492487404 15.999 > 6 39 O 0.26764445082735 0.77921856177282 0.90372492487404 15.999 > 6 40 O 0.76764445082735 0.77921856177282 0.90372492487404 15.999 > 6 41 O 0.01157411094546 0.23235554917265 0.90372492487404 15.999 > 7 42 O 0.51157411094546 0.23235554917265 0.90372492487404 15.999 > 7 43 O 0.01157411094546 0.73235554917265 0.90372492487404 15.999 > 7 44 O 0.51157411094546 0.73235554917265 0.90372492487404 15.999 > 7 45 O 0.44588522843948 0.34490744427880 0.76294174179263 15.999 > 8 46 O 0.94588522843948 0.34490744427880 0.76294174179263 15.999 > 8 47 O 0.44588522843948 0.84490744427880 0.76294174179263 15.999 > 8 48 O 0.94588522843948 0.84490744427880 0.76294174179263 15.999 > 8 49 O 0.23235554917265 0.22078143822718 0.09627507512596 15.999 > 3 50 O 0.73235554917265 0.22078143822718 0.09627507512596 15.999 > 3 51 O 0.23235554917265 0.72078143822718 0.09627507512596 15.999 > 3 52 O 0.73235554917265 0.72078143822718 0.09627507512596 15.999 > 3 53 O 0.48842588905454 0.26764445082735 0.09627507512596 15.999 > 4 54 O 0.98842588905454 0.26764445082735 0.09627507512596 15.999 > 4 55 O 0.48842588905454 0.76764445082735 0.09627507512596 15.999 > 4 56 O 0.98842588905454 0.76764445082735 0.09627507512596 15.999 > 4 57 O 0.05411477156052 0.15509255572120 0.23705825820737 15.999 > 5 58 O 0.55411477156052 0.15509255572120 0.23705825820737 15.999 > 5 59 O 0.05411477156052 0.65509255572120 0.23705825820737 15.999 > 5 60 O 0.55411477156052 0.65509255572120 0.23705825820737 15.999 > 5 61 O 0.10097778416069 0.44588522843948 0.23705825820737 15.999 > 6 62 O 0.60097778416069 0.44588522843948 0.23705825820737 15.999 > 6 63 O 0.10097778416069 0.94588522843948 0.23705825820737 15.999 > 6 64 O 0.60097778416069 0.94588522843948 0.23705825820737 15.999 > 6 65 O 0.34490744427880 0.39902221583931 0.23705825820737 15.999 > 7 66 O 0.84490744427880 0.39902221583931 0.23705825820737 15.999 > 7 67 O 0.34490744427880 0.89902221583931 0.23705825820737 15.999 > 7 68 O 0.84490744427880 0.89902221583931 0.23705825820737 15.999 > 7 69 O 0.27921856177282 0.01157411094546 0.09627507512596 15.999 > 8 70 O 0.77921856177282 0.01157411094546 0.09627507512596 15.999 > 8 71 O 0.27921856177282 0.51157411094546 0.09627507512596 15.999 > 8 72 O 0.77921856177282 0.51157411094546 0.09627507512596 15.999 > 8 73 O 0.06568888250598 0.38744810489385 0.42960840845929 15.999 > 3 74 O 0.56568888250598 0.38744810489385 0.42960840845929 15.999 > 3 75 O 0.06568888250598 0.88744810489385 0.42960840845929 15.999 > 3 76 O 0.56568888250598 0.88744810489385 0.42960840845929 15.999 > 3 77 O 0.32175922238787 0.43431111749402 0.42960840845929 15.999 > 4 78 O 0.82175922238787 0.43431111749402 0.42960840845929 15.999 > 4 79 O 0.32175922238787 0.93431111749402 0.42960840845929 15.999 > 4 80 O 0.82175922238787 0.93431111749402 0.42960840845929 15.999 > 4 81 O 0.38744810489385 0.32175922238787 0.57039159154070 15.999 > 5 82 O 0.88744810489385 0.32175922238787 0.57039159154070 15.999 > 5 83 O 0.38744810489385 0.82175922238787 0.57039159154070 15.999 > 5 84 O 0.88744810489385 0.82175922238787 0.57039159154070 15.999 > 5 85 O 0.43431111749402 0.11255189510615 0.57039159154070 15.999 > 6 86 O 0.93431111749402 0.11255189510615 0.57039159154070 15.999 > 6 87 O 0.43431111749402 0.61255189510615 0.57039159154070 15.999 > 6 88 O 0.93431111749402 0.61255189510615 0.57039159154070 15.999 > 6 89 O 0.17824077761213 0.06568888250598 0.57039159154070 15.999 > 7 90 O 0.67824077761213 0.06568888250598 0.57039159154070 15.999 > 7 91 O 0.17824077761213 0.56568888250598 0.57039159154070 15.999 > 7 92 O 0.67824077761213 0.56568888250598 0.57039159154070 15.999 > 7 93 O 0.11255189510615 0.17824077761213 0.42960840845929 15.999 > 8 94 O 0.61255189510615 0.17824077761213 0.42960840845929 15.999 > 8 95 O 0.11255189510615 0.67824077761213 0.42960840845929 15.999 > 8 96 O 0.61255189510615 0.67824077761213 0.42960840845929 15.999 > 8 *97 Ti 0.33333333333333 0.16666666666667 0.83333333333333 47.867 > 9 98 Ti 0.83333333333333 0.16666666666667 0.83333333333333 47.867 > 9 99 Ti 0.33333333333333 0.66666666666667 0.83333333333333 47.867 > 9 100 Ti 0.83333333333333 0.66666666666667 0.83333333333333 47.867 > 9 101 Ti 0.16666666666667 0.33333333333333 0.16666666666667 47.867 > 9 102 Ti 0.66666666666667 0.33333333333333 0.16666666666667 47.867 > 9 103 Ti 0.16666666666667 0.83333333333333 0.16666666666667 47.867 > 9 104 Ti 0.66666666666667 0.83333333333333 0.16666666666667 47.867 > 9 105 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 9 106 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 9 107 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 9 108 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 9 *109 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 10 110 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 10 111 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 10 112 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 10 113 Ba 0.33333333333333 0.16666666666667 0.33333333333333 137.327 > 10 114 Ba 0.83333333333333 0.16666666666667 0.33333333333333 137.327 > 10 115 Ba 0.33333333333333 0.66666666666667 0.33333333333333 137.327 > 10 116 Ba 0.83333333333333 0.66666666666667 0.33333333333333 137.327 > 10 117 Ba 0.16666666666667 0.33333333333333 0.66666666666667 137.327 > 10 118 Ba 0.66666666666667 0.33333333333333 0.66666666666667 137.327 > 10 119 Ba 0.16666666666667 0.83333333333333 0.66666666666667 137.327 > 10 120 Ba 0.66666666666667 0.83333333333333 0.66666666666667 137.327 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5780530 0.0000000 0.0000000 -0.0000000 4.5780530 0.0000000 0.0000000 0.0000000 3.4800087 -------------------------- Born effective charges -------------------------- 1 B 3.7933680 0.3071394 0.0000000 -0.3071394 3.7933680 -0.0000000 -0.0000000 0.0000000 0.5768494 2 B 3.7933680 0.3071394 0.0000000 -0.3071394 3.7933680 -0.0000000 -0.0000000 0.0000000 0.5768494 3 O -3.3261880 0.9354885 0.6823093 0.9788082 -2.2137396 -0.6973477 0.3058420 -0.4916226 -1.4822967 4 O -3.3207665 -0.9819383 -0.9450755 -0.9386186 -2.2191611 -0.2422233 -0.5786787 -0.0190556 -1.4822967 5 O -1.6629369 -0.0185298 0.2627662 0.0247899 -3.8769907 0.9395710 0.2728367 0.5106782 -1.4822967 6 O -3.3261880 0.9354885 0.6823093 0.9788082 -2.2137396 -0.6973477 0.3058420 -0.4916226 -1.4822967 7 O -3.3207665 -0.9819383 -0.9450755 -0.9386186 -2.2191611 -0.2422233 -0.5786787 -0.0190556 -1.4822967 8 O -1.6629369 -0.0185298 0.2627662 0.0247899 -3.8769907 0.9395710 0.2728367 0.5106782 -1.4822967 9 Ti 6.3297005 -0.4412192 0.0000000 0.4412192 6.3297005 -0.0000000 -0.0000000 0.0000000 4.5747339 10 Ba 2.7033463 -0.0431006 0.0000000 0.0431006 2.7033463 -0.0000000 -0.0000000 0.0000000 3.1653476 ---------------------------------------------------------------------------- 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: 7032/7032 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 468 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: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 126 Use standard eigh solver. Tree of FC basis block matrices: - (952, 935), data: False |-- (126, 122), data: True |-- (388, 384), data: True |-- (438, 429), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.038 Solver_block: 100 / 240 - Time: 1.155 Solver_block: 200 / 240 - Time: 1.169 Solver_block: 240 / 240 - Time: 0.632 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.083 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7032/7032 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 468 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: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 126 Use standard eigh solver. Tree of FC basis block matrices: - (952, 935), data: False |-- (126, 122), data: True |-- (388, 384), data: True |-- (438, 429), 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 23:54:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:54:43]------------------------- 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 2.521314575962011 1.455681649143391 5.446946776666659 b -2.521314575962006 1.455681649143391 5.446946776666659 c 0.000000000000002 -2.911363298286787 5.446946776666659 Atomic positions (fractional): 1 B 0.76582688687050 0.76582688687050 0.76582688687050 10.811 2 B 0.23417311312950 0.23417311312951 0.23417311312950 10.811 3 O 0.56098617347125 0.07312685323504 0.65471219867159 15.999 4 O 0.07312685323504 0.65471219867160 0.56098617347125 15.999 5 O 0.34528780132840 0.43901382652875 0.92687314676496 15.999 6 O 0.43901382652875 0.92687314676496 0.34528780132840 15.999 7 O 0.92687314676496 0.34528780132841 0.43901382652874 15.999 8 O 0.65471219867159 0.56098617347126 0.07312685323504 15.999 9 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 10 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.085258303848036 0.000000000000000 0.000000000000000 b -5.042629151924018 8.734089894860357 0.000000000000000 c 0.000000000000000 0.000000000000000 16.340840329999995 Atomic positions (fractional): 1 B 0.00000000000000 0.00000000000000 0.76582688687050 10.811 > 1 2 B 0.50000000000000 0.00000000000000 0.76582688687050 10.811 > 1 3 B 0.00000000000000 0.50000000000000 0.76582688687050 10.811 > 1 4 B 0.50000000000000 0.50000000000000 0.76582688687050 10.811 > 1 5 B 0.16666666666667 0.33333333333333 0.90083977979617 10.811 > 5 6 B 0.66666666666667 0.33333333333333 0.90083977979617 10.811 > 5 7 B 0.16666666666667 0.83333333333333 0.90083977979617 10.811 > 5 8 B 0.66666666666667 0.83333333333333 0.90083977979617 10.811 > 5 9 B 0.33333333333333 0.16666666666667 0.09916022020383 10.811 > 1 10 B 0.83333333333333 0.16666666666667 0.09916022020383 10.811 > 1 11 B 0.33333333333333 0.66666666666667 0.09916022020383 10.811 > 1 12 B 0.83333333333333 0.66666666666667 0.09916022020383 10.811 > 1 13 B 0.00000000000000 0.00000000000000 0.23417311312950 10.811 > 5 14 B 0.50000000000000 0.00000000000000 0.23417311312950 10.811 > 5 15 B 0.00000000000000 0.50000000000000 0.23417311312950 10.811 > 5 16 B 0.50000000000000 0.50000000000000 0.23417311312950 10.811 > 5 17 B 0.16666666666667 0.33333333333333 0.43249355353716 10.811 > 1 18 B 0.66666666666667 0.33333333333333 0.43249355353716 10.811 > 1 19 B 0.16666666666667 0.83333333333333 0.43249355353716 10.811 > 1 20 B 0.66666666666667 0.83333333333333 0.43249355353716 10.811 > 1 21 B 0.33333333333333 0.16666666666667 0.56750644646284 10.811 > 5 22 B 0.83333333333333 0.16666666666667 0.56750644646284 10.811 > 5 23 B 0.33333333333333 0.66666666666667 0.56750644646284 10.811 > 5 24 B 0.83333333333333 0.66666666666667 0.56750644646284 10.811 > 5 25 O 0.39902221583931 0.05411477156052 0.76294174179263 15.999 > 25 26 O 0.89902221583931 0.05411477156052 0.76294174179263 15.999 > 25 27 O 0.39902221583931 0.55411477156052 0.76294174179263 15.999 > 25 28 O 0.89902221583931 0.55411477156052 0.76294174179263 15.999 > 25 29 O 0.15509255572120 0.10097778416069 0.76294174179263 15.999 > 29 30 O 0.65509255572120 0.10097778416069 0.76294174179263 15.999 > 29 31 O 0.15509255572120 0.60097778416069 0.76294174179263 15.999 > 29 32 O 0.65509255572120 0.60097778416069 0.76294174179263 15.999 > 29 33 O 0.22078143822718 0.48842588905454 0.90372492487404 15.999 > 33 34 O 0.72078143822718 0.48842588905454 0.90372492487404 15.999 > 33 35 O 0.22078143822718 0.98842588905454 0.90372492487404 15.999 > 33 36 O 0.72078143822718 0.98842588905454 0.90372492487404 15.999 > 33 37 O 0.26764445082735 0.27921856177282 0.90372492487404 15.999 > 37 38 O 0.76764445082735 0.27921856177282 0.90372492487404 15.999 > 37 39 O 0.26764445082735 0.77921856177282 0.90372492487404 15.999 > 37 40 O 0.76764445082735 0.77921856177282 0.90372492487404 15.999 > 37 41 O 0.01157411094546 0.23235554917265 0.90372492487404 15.999 > 41 42 O 0.51157411094546 0.23235554917265 0.90372492487404 15.999 > 41 43 O 0.01157411094546 0.73235554917265 0.90372492487404 15.999 > 41 44 O 0.51157411094546 0.73235554917265 0.90372492487404 15.999 > 41 45 O 0.44588522843948 0.34490744427880 0.76294174179263 15.999 > 45 46 O 0.94588522843948 0.34490744427880 0.76294174179263 15.999 > 45 47 O 0.44588522843948 0.84490744427880 0.76294174179263 15.999 > 45 48 O 0.94588522843948 0.84490744427880 0.76294174179263 15.999 > 45 49 O 0.23235554917265 0.22078143822718 0.09627507512596 15.999 > 25 50 O 0.73235554917265 0.22078143822718 0.09627507512596 15.999 > 25 51 O 0.23235554917265 0.72078143822718 0.09627507512596 15.999 > 25 52 O 0.73235554917265 0.72078143822718 0.09627507512596 15.999 > 25 53 O 0.48842588905454 0.26764445082735 0.09627507512596 15.999 > 29 54 O 0.98842588905454 0.26764445082735 0.09627507512596 15.999 > 29 55 O 0.48842588905454 0.76764445082735 0.09627507512596 15.999 > 29 56 O 0.98842588905454 0.76764445082735 0.09627507512596 15.999 > 29 57 O 0.05411477156052 0.15509255572120 0.23705825820737 15.999 > 33 58 O 0.55411477156052 0.15509255572120 0.23705825820737 15.999 > 33 59 O 0.05411477156052 0.65509255572120 0.23705825820737 15.999 > 33 60 O 0.55411477156052 0.65509255572120 0.23705825820737 15.999 > 33 61 O 0.10097778416069 0.44588522843948 0.23705825820737 15.999 > 37 62 O 0.60097778416069 0.44588522843948 0.23705825820737 15.999 > 37 63 O 0.10097778416069 0.94588522843948 0.23705825820737 15.999 > 37 64 O 0.60097778416069 0.94588522843948 0.23705825820737 15.999 > 37 65 O 0.34490744427880 0.39902221583931 0.23705825820737 15.999 > 41 66 O 0.84490744427880 0.39902221583931 0.23705825820737 15.999 > 41 67 O 0.34490744427880 0.89902221583931 0.23705825820737 15.999 > 41 68 O 0.84490744427880 0.89902221583931 0.23705825820737 15.999 > 41 69 O 0.27921856177282 0.01157411094546 0.09627507512596 15.999 > 45 70 O 0.77921856177282 0.01157411094546 0.09627507512596 15.999 > 45 71 O 0.27921856177282 0.51157411094546 0.09627507512596 15.999 > 45 72 O 0.77921856177282 0.51157411094546 0.09627507512596 15.999 > 45 73 O 0.06568888250598 0.38744810489385 0.42960840845929 15.999 > 25 74 O 0.56568888250598 0.38744810489385 0.42960840845929 15.999 > 25 75 O 0.06568888250598 0.88744810489385 0.42960840845929 15.999 > 25 76 O 0.56568888250598 0.88744810489385 0.42960840845929 15.999 > 25 77 O 0.32175922238787 0.43431111749402 0.42960840845929 15.999 > 29 78 O 0.82175922238787 0.43431111749402 0.42960840845929 15.999 > 29 79 O 0.32175922238787 0.93431111749402 0.42960840845929 15.999 > 29 80 O 0.82175922238787 0.93431111749402 0.42960840845929 15.999 > 29 81 O 0.38744810489385 0.32175922238787 0.57039159154070 15.999 > 33 82 O 0.88744810489385 0.32175922238787 0.57039159154070 15.999 > 33 83 O 0.38744810489385 0.82175922238787 0.57039159154070 15.999 > 33 84 O 0.88744810489385 0.82175922238787 0.57039159154070 15.999 > 33 85 O 0.43431111749402 0.11255189510615 0.57039159154070 15.999 > 37 86 O 0.93431111749402 0.11255189510615 0.57039159154070 15.999 > 37 87 O 0.43431111749402 0.61255189510615 0.57039159154070 15.999 > 37 88 O 0.93431111749402 0.61255189510615 0.57039159154070 15.999 > 37 89 O 0.17824077761213 0.06568888250598 0.57039159154070 15.999 > 41 90 O 0.67824077761213 0.06568888250598 0.57039159154070 15.999 > 41 91 O 0.17824077761213 0.56568888250598 0.57039159154070 15.999 > 41 92 O 0.67824077761213 0.56568888250598 0.57039159154070 15.999 > 41 93 O 0.11255189510615 0.17824077761213 0.42960840845929 15.999 > 45 94 O 0.61255189510615 0.17824077761213 0.42960840845929 15.999 > 45 95 O 0.11255189510615 0.67824077761213 0.42960840845929 15.999 > 45 96 O 0.61255189510615 0.67824077761213 0.42960840845929 15.999 > 45 97 Ti 0.33333333333333 0.16666666666667 0.83333333333333 47.867 > 97 98 Ti 0.83333333333333 0.16666666666667 0.83333333333333 47.867 > 97 99 Ti 0.33333333333333 0.66666666666667 0.83333333333333 47.867 > 97 100 Ti 0.83333333333333 0.66666666666667 0.83333333333333 47.867 > 97 101 Ti 0.16666666666667 0.33333333333333 0.16666666666667 47.867 > 97 102 Ti 0.66666666666667 0.33333333333333 0.16666666666667 47.867 > 97 103 Ti 0.16666666666667 0.83333333333333 0.16666666666667 47.867 > 97 104 Ti 0.66666666666667 0.83333333333333 0.16666666666667 47.867 > 97 105 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 97 106 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 97 107 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 97 108 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 97 109 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 109 110 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 109 111 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 109 112 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 109 113 Ba 0.33333333333333 0.16666666666667 0.33333333333333 137.327 > 109 114 Ba 0.83333333333333 0.16666666666667 0.33333333333333 137.327 > 109 115 Ba 0.33333333333333 0.66666666666667 0.33333333333333 137.327 > 109 116 Ba 0.83333333333333 0.66666666666667 0.33333333333333 137.327 > 109 117 Ba 0.16666666666667 0.33333333333333 0.66666666666667 137.327 > 109 118 Ba 0.66666666666667 0.33333333333333 0.66666666666667 137.327 > 109 119 Ba 0.16666666666667 0.83333333333333 0.66666666666667 137.327 > 109 120 Ba 0.66666666666667 0.83333333333333 0.66666666666667 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5780530 0.0000000 0.0000000 -0.0000000 4.5780530 0.0000000 0.0000000 0.0000000 3.4800087 -------------------------- Born effective charges -------------------------- 1 B 3.7933680 0.3071394 0.0000000 -0.3071394 3.7933680 -0.0000000 -0.0000000 0.0000000 0.5768494 2 B 3.7933680 0.3071394 0.0000000 -0.3071394 3.7933680 -0.0000000 -0.0000000 0.0000000 0.5768494 3 O -3.3261880 0.9354885 0.6823093 0.9788082 -2.2137396 -0.6973477 0.3058420 -0.4916226 -1.4822967 4 O -3.3207665 -0.9819383 -0.9450755 -0.9386186 -2.2191611 -0.2422233 -0.5786787 -0.0190556 -1.4822967 5 O -1.6629369 -0.0185298 0.2627662 0.0247899 -3.8769907 0.9395710 0.2728367 0.5106782 -1.4822967 6 O -3.3261880 0.9354885 0.6823093 0.9788082 -2.2137396 -0.6973477 0.3058420 -0.4916226 -1.4822967 7 O -3.3207665 -0.9819383 -0.9450755 -0.9386186 -2.2191611 -0.2422233 -0.5786787 -0.0190556 -1.4822967 8 O -1.6629369 -0.0185298 0.2627662 0.0247899 -3.8769907 0.9395710 0.2728367 0.5106782 -1.4822967 9 Ti 6.3297005 -0.4412192 0.0000000 0.4412192 6.3297005 -0.0000000 -0.0000000 0.0000000 4.5747339 10 Ba 2.7033463 -0.0431006 0.0000000 0.0431006 2.7033463 -0.0000000 -0.0000000 0.0000000 3.1653476 ---------------------------------------------------------------------------- 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] Computing fc3[ 109, 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: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000015 (xy) -0.00000015 (xy) 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 23:54:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:54:57]------------------------- 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 2.521314575962011 1.455681649143391 5.446946776666659 b -2.521314575962006 1.455681649143391 5.446946776666659 c 0.000000000000002 -2.911363298286787 5.446946776666659 Atomic positions (fractional): 1 B 0.76582688687050 0.76582688687050 0.76582688687050 10.811 2 B 0.23417311312950 0.23417311312951 0.23417311312950 10.811 3 O 0.56098617347125 0.07312685323504 0.65471219867159 15.999 4 O 0.07312685323504 0.65471219867160 0.56098617347125 15.999 5 O 0.34528780132840 0.43901382652875 0.92687314676496 15.999 6 O 0.43901382652875 0.92687314676496 0.34528780132840 15.999 7 O 0.92687314676496 0.34528780132841 0.43901382652874 15.999 8 O 0.65471219867159 0.56098617347126 0.07312685323504 15.999 9 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 10 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.085258303848036 0.000000000000000 0.000000000000000 b -5.042629151924018 8.734089894860357 0.000000000000000 c 0.000000000000000 0.000000000000000 16.340840329999995 Atomic positions (fractional): 1 B 0.00000000000000 0.00000000000000 0.76582688687050 10.811 > 1 2 B 0.50000000000000 0.00000000000000 0.76582688687050 10.811 > 1 3 B 0.00000000000000 0.50000000000000 0.76582688687050 10.811 > 1 4 B 0.50000000000000 0.50000000000000 0.76582688687050 10.811 > 1 5 B 0.16666666666667 0.33333333333333 0.90083977979617 10.811 > 5 6 B 0.66666666666667 0.33333333333333 0.90083977979617 10.811 > 5 7 B 0.16666666666667 0.83333333333333 0.90083977979617 10.811 > 5 8 B 0.66666666666667 0.83333333333333 0.90083977979617 10.811 > 5 9 B 0.33333333333333 0.16666666666667 0.09916022020383 10.811 > 1 10 B 0.83333333333333 0.16666666666667 0.09916022020383 10.811 > 1 11 B 0.33333333333333 0.66666666666667 0.09916022020383 10.811 > 1 12 B 0.83333333333333 0.66666666666667 0.09916022020383 10.811 > 1 13 B 0.00000000000000 0.00000000000000 0.23417311312950 10.811 > 5 14 B 0.50000000000000 0.00000000000000 0.23417311312950 10.811 > 5 15 B 0.00000000000000 0.50000000000000 0.23417311312950 10.811 > 5 16 B 0.50000000000000 0.50000000000000 0.23417311312950 10.811 > 5 17 B 0.16666666666667 0.33333333333333 0.43249355353716 10.811 > 1 18 B 0.66666666666667 0.33333333333333 0.43249355353716 10.811 > 1 19 B 0.16666666666667 0.83333333333333 0.43249355353716 10.811 > 1 20 B 0.66666666666667 0.83333333333333 0.43249355353716 10.811 > 1 21 B 0.33333333333333 0.16666666666667 0.56750644646284 10.811 > 5 22 B 0.83333333333333 0.16666666666667 0.56750644646284 10.811 > 5 23 B 0.33333333333333 0.66666666666667 0.56750644646284 10.811 > 5 24 B 0.83333333333333 0.66666666666667 0.56750644646284 10.811 > 5 25 O 0.39902221583931 0.05411477156052 0.76294174179263 15.999 > 25 26 O 0.89902221583931 0.05411477156052 0.76294174179263 15.999 > 25 27 O 0.39902221583931 0.55411477156052 0.76294174179263 15.999 > 25 28 O 0.89902221583931 0.55411477156052 0.76294174179263 15.999 > 25 29 O 0.15509255572120 0.10097778416069 0.76294174179263 15.999 > 29 30 O 0.65509255572120 0.10097778416069 0.76294174179263 15.999 > 29 31 O 0.15509255572120 0.60097778416069 0.76294174179263 15.999 > 29 32 O 0.65509255572120 0.60097778416069 0.76294174179263 15.999 > 29 33 O 0.22078143822718 0.48842588905454 0.90372492487404 15.999 > 33 34 O 0.72078143822718 0.48842588905454 0.90372492487404 15.999 > 33 35 O 0.22078143822718 0.98842588905454 0.90372492487404 15.999 > 33 36 O 0.72078143822718 0.98842588905454 0.90372492487404 15.999 > 33 37 O 0.26764445082735 0.27921856177282 0.90372492487404 15.999 > 37 38 O 0.76764445082735 0.27921856177282 0.90372492487404 15.999 > 37 39 O 0.26764445082735 0.77921856177282 0.90372492487404 15.999 > 37 40 O 0.76764445082735 0.77921856177282 0.90372492487404 15.999 > 37 41 O 0.01157411094546 0.23235554917265 0.90372492487404 15.999 > 41 42 O 0.51157411094546 0.23235554917265 0.90372492487404 15.999 > 41 43 O 0.01157411094546 0.73235554917265 0.90372492487404 15.999 > 41 44 O 0.51157411094546 0.73235554917265 0.90372492487404 15.999 > 41 45 O 0.44588522843948 0.34490744427880 0.76294174179263 15.999 > 45 46 O 0.94588522843948 0.34490744427880 0.76294174179263 15.999 > 45 47 O 0.44588522843948 0.84490744427880 0.76294174179263 15.999 > 45 48 O 0.94588522843948 0.84490744427880 0.76294174179263 15.999 > 45 49 O 0.23235554917265 0.22078143822718 0.09627507512596 15.999 > 25 50 O 0.73235554917265 0.22078143822718 0.09627507512596 15.999 > 25 51 O 0.23235554917265 0.72078143822718 0.09627507512596 15.999 > 25 52 O 0.73235554917265 0.72078143822718 0.09627507512596 15.999 > 25 53 O 0.48842588905454 0.26764445082735 0.09627507512596 15.999 > 29 54 O 0.98842588905454 0.26764445082735 0.09627507512596 15.999 > 29 55 O 0.48842588905454 0.76764445082735 0.09627507512596 15.999 > 29 56 O 0.98842588905454 0.76764445082735 0.09627507512596 15.999 > 29 57 O 0.05411477156052 0.15509255572120 0.23705825820737 15.999 > 33 58 O 0.55411477156052 0.15509255572120 0.23705825820737 15.999 > 33 59 O 0.05411477156052 0.65509255572120 0.23705825820737 15.999 > 33 60 O 0.55411477156052 0.65509255572120 0.23705825820737 15.999 > 33 61 O 0.10097778416069 0.44588522843948 0.23705825820737 15.999 > 37 62 O 0.60097778416069 0.44588522843948 0.23705825820737 15.999 > 37 63 O 0.10097778416069 0.94588522843948 0.23705825820737 15.999 > 37 64 O 0.60097778416069 0.94588522843948 0.23705825820737 15.999 > 37 65 O 0.34490744427880 0.39902221583931 0.23705825820737 15.999 > 41 66 O 0.84490744427880 0.39902221583931 0.23705825820737 15.999 > 41 67 O 0.34490744427880 0.89902221583931 0.23705825820737 15.999 > 41 68 O 0.84490744427880 0.89902221583931 0.23705825820737 15.999 > 41 69 O 0.27921856177282 0.01157411094546 0.09627507512596 15.999 > 45 70 O 0.77921856177282 0.01157411094546 0.09627507512596 15.999 > 45 71 O 0.27921856177282 0.51157411094546 0.09627507512596 15.999 > 45 72 O 0.77921856177282 0.51157411094546 0.09627507512596 15.999 > 45 73 O 0.06568888250598 0.38744810489385 0.42960840845929 15.999 > 25 74 O 0.56568888250598 0.38744810489385 0.42960840845929 15.999 > 25 75 O 0.06568888250598 0.88744810489385 0.42960840845929 15.999 > 25 76 O 0.56568888250598 0.88744810489385 0.42960840845929 15.999 > 25 77 O 0.32175922238787 0.43431111749402 0.42960840845929 15.999 > 29 78 O 0.82175922238787 0.43431111749402 0.42960840845929 15.999 > 29 79 O 0.32175922238787 0.93431111749402 0.42960840845929 15.999 > 29 80 O 0.82175922238787 0.93431111749402 0.42960840845929 15.999 > 29 81 O 0.38744810489385 0.32175922238787 0.57039159154070 15.999 > 33 82 O 0.88744810489385 0.32175922238787 0.57039159154070 15.999 > 33 83 O 0.38744810489385 0.82175922238787 0.57039159154070 15.999 > 33 84 O 0.88744810489385 0.82175922238787 0.57039159154070 15.999 > 33 85 O 0.43431111749402 0.11255189510615 0.57039159154070 15.999 > 37 86 O 0.93431111749402 0.11255189510615 0.57039159154070 15.999 > 37 87 O 0.43431111749402 0.61255189510615 0.57039159154070 15.999 > 37 88 O 0.93431111749402 0.61255189510615 0.57039159154070 15.999 > 37 89 O 0.17824077761213 0.06568888250598 0.57039159154070 15.999 > 41 90 O 0.67824077761213 0.06568888250598 0.57039159154070 15.999 > 41 91 O 0.17824077761213 0.56568888250598 0.57039159154070 15.999 > 41 92 O 0.67824077761213 0.56568888250598 0.57039159154070 15.999 > 41 93 O 0.11255189510615 0.17824077761213 0.42960840845929 15.999 > 45 94 O 0.61255189510615 0.17824077761213 0.42960840845929 15.999 > 45 95 O 0.11255189510615 0.67824077761213 0.42960840845929 15.999 > 45 96 O 0.61255189510615 0.67824077761213 0.42960840845929 15.999 > 45 97 Ti 0.33333333333333 0.16666666666667 0.83333333333333 47.867 > 97 98 Ti 0.83333333333333 0.16666666666667 0.83333333333333 47.867 > 97 99 Ti 0.33333333333333 0.66666666666667 0.83333333333333 47.867 > 97 100 Ti 0.83333333333333 0.66666666666667 0.83333333333333 47.867 > 97 101 Ti 0.16666666666667 0.33333333333333 0.16666666666667 47.867 > 97 102 Ti 0.66666666666667 0.33333333333333 0.16666666666667 47.867 > 97 103 Ti 0.16666666666667 0.83333333333333 0.16666666666667 47.867 > 97 104 Ti 0.66666666666667 0.83333333333333 0.16666666666667 47.867 > 97 105 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 97 106 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 97 107 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 97 108 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 97 109 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 109 110 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 109 111 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 109 112 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 109 113 Ba 0.33333333333333 0.16666666666667 0.33333333333333 137.327 > 109 114 Ba 0.83333333333333 0.16666666666667 0.33333333333333 137.327 > 109 115 Ba 0.33333333333333 0.66666666666667 0.33333333333333 137.327 > 109 116 Ba 0.83333333333333 0.66666666666667 0.33333333333333 137.327 > 109 117 Ba 0.16666666666667 0.33333333333333 0.66666666666667 137.327 > 109 118 Ba 0.66666666666667 0.33333333333333 0.66666666666667 137.327 > 109 119 Ba 0.16666666666667 0.83333333333333 0.66666666666667 137.327 > 109 120 Ba 0.66666666666667 0.83333333333333 0.66666666666667 137.327 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5780530 0.0000000 0.0000000 -0.0000000 4.5780530 0.0000000 0.0000000 0.0000000 3.4800087 -------------------------- Born effective charges -------------------------- 1 B 3.7933680 0.3071394 0.0000000 -0.3071394 3.7933680 -0.0000000 -0.0000000 0.0000000 0.5768494 2 B 3.7933680 0.3071394 0.0000000 -0.3071394 3.7933680 -0.0000000 -0.0000000 0.0000000 0.5768494 3 O -3.3261880 0.9354885 0.6823093 0.9788082 -2.2137396 -0.6973477 0.3058420 -0.4916226 -1.4822967 4 O -3.3207665 -0.9819383 -0.9450755 -0.9386186 -2.2191611 -0.2422233 -0.5786787 -0.0190556 -1.4822967 5 O -1.6629369 -0.0185298 0.2627662 0.0247899 -3.8769907 0.9395710 0.2728367 0.5106782 -1.4822967 6 O -3.3261880 0.9354885 0.6823093 0.9788082 -2.2137396 -0.6973477 0.3058420 -0.4916226 -1.4822967 7 O -3.3207665 -0.9819383 -0.9450755 -0.9386186 -2.2191611 -0.2422233 -0.5786787 -0.0190556 -1.4822967 8 O -1.6629369 -0.0185298 0.2627662 0.0247899 -3.8769907 0.9395710 0.2728367 0.5106782 -1.4822967 9 Ti 6.3297005 -0.4412192 0.0000000 0.4412192 6.3297005 -0.0000000 -0.0000000 0.0000000 4.5747339 10 Ba 2.7033463 -0.0431006 0.0000000 0.0431006 2.7033463 -0.0000000 -0.0000000 0.0000000 3.1653476 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) 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: 0.84, Number of G-points: 309, 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: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 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 2.512 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.113 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 6.506 ( 0.000 0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 11.134 ( 0.000 0.000 0.000) 0.000 11.134 ( 0.000 0.000 0.000) 0.000 11.559 ( 0.000 0.000 0.000) 0.000 12.013 ( 0.000 0.000 0.000) 0.000 17.520 ( 0.000 0.000 0.000) 0.000 17.520 ( 0.000 0.000 0.000) 0.000 17.834 ( 0.000 0.000 0.000) 0.000 17.834 ( 0.000 0.000 0.000) 0.000 20.371 ( 0.000 0.000 0.000) 0.000 21.128 ( 0.000 0.000 0.000) 0.000 29.564 ( 0.000 0.000 0.000) 0.000 30.345 ( 0.000 0.000 0.000) 0.000 36.017 ( 0.000 0.000 0.000) 0.000 36.017 ( 0.000 0.000 0.000) 0.000 36.568 ( 0.000 0.000 0.000) 0.000 36.568 ( 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: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 17.142 9.828 16.294) 25.611 0.859 ( 39.673 13.946 -4.032) 42.246 1.508 ( 53.745 36.662 6.142) 65.348 2.518 ( -5.479 -4.302 15.058) 16.592 3.169 ( 5.099 5.083 -1.419) 7.338 3.449 ( 12.064 6.889 -3.778) 14.397 3.836 ( 2.037 3.137 -5.825) 6.922 4.052 ( 21.767 10.429 -0.899) 24.153 4.373 ( 7.201 3.674 2.340) 8.416 6.597 ( 6.713 4.199 3.076) 8.494 7.421 ( -0.626 -2.059 0.735) 2.274 7.519 ( 7.384 5.772 5.120) 10.679 9.448 ( -0.431 -1.843 2.297) 2.977 11.051 ( -6.345 -4.957 -4.122) 9.045 11.110 ( -2.660 -1.348 0.742) 3.073 11.548 ( 1.171 0.831 -5.567) 5.750 11.861 ( -5.187 -0.833 -12.890) 13.919 14.499 ( -10.306 -7.592 -17.838) 21.955 17.451 ( -4.597 -2.585 -0.311) 5.283 17.713 ( -5.575 -3.969 -2.634) 7.333 17.853 ( 0.737 2.734 -1.695) 3.300 18.405 ( 16.765 9.138 -14.223) 23.809 20.464 ( -5.445 -2.841 27.988) 28.653 21.107 ( -1.964 -1.129 0.400) 2.300 29.539 ( -3.937 -2.401 3.342) 5.695 30.303 ( -3.493 -2.069 -1.394) 4.292 36.036 ( 1.370 0.333 1.795) 2.282 36.543 ( -1.097 -2.303 -1.418) 2.919 36.584 ( 0.608 1.727 1.535) 2.390 41.158 ( 23.144 14.059 -93.852) 97.680 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 15.258 8.018 16.990) 24.202 1.465 ( 23.613 5.683 -2.937) 24.464 2.272 ( 8.868 7.206 6.419) 13.106 2.444 ( -4.022 0.579 1.478) 4.324 3.371 ( 10.363 7.368 -0.202) 12.717 3.826 ( 8.367 5.019 -5.281) 11.094 4.051 ( 27.962 21.181 -5.107) 35.448 4.633 ( 33.827 8.207 -1.389) 34.836 4.727 ( 27.735 22.509 -0.499) 35.723 6.838 ( 13.807 7.538 2.117) 15.872 7.396 ( -0.282 -0.657 1.548) 1.706 7.801 ( 13.141 7.824 9.745) 18.134 9.425 ( -1.060 -4.111 4.149) 5.936 10.783 ( -17.221 -6.138 -2.867) 18.505 11.015 ( -4.607 -5.972 -1.652) 7.722 11.586 ( 0.443 1.890 1.573) 2.499 11.607 ( -13.894 -7.516 -0.114) 15.797 14.044 ( -18.634 -12.154 -22.451) 31.607 17.377 ( -2.585 0.268 -0.395) 2.629 17.606 ( -0.495 -6.381 0.494) 6.419 17.890 ( 0.560 5.628 -2.251) 6.087 18.672 ( 10.869 6.393 -3.760) 13.159 20.499 ( -1.192 -0.216 12.683) 12.741 21.048 ( -3.549 -2.018 0.578) 4.124 29.445 ( -4.862 -2.830 -0.079) 5.626 30.179 ( -6.464 -4.044 -3.000) 8.194 36.078 ( 1.410 0.567 3.011) 3.372 36.480 ( -1.712 -3.380 -2.459) 4.517 36.640 ( 1.851 2.534 4.695) 5.648 41.198 ( 11.931 8.014 -46.913) 49.065 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 11.538 2.315 16.942) 20.628 1.723 ( 6.330 -1.963 0.780) 6.673 2.241 ( -5.044 -1.039 1.114) 5.269 2.486 ( -0.315 4.458 2.816) 5.283 3.550 ( 7.513 3.303 -6.092) 10.222 4.054 ( 12.778 10.368 -3.033) 16.733 4.541 ( 13.309 15.258 -4.314) 20.702 5.273 ( 37.168 7.168 -5.304) 38.223 5.661 ( 40.259 30.289 0.802) 50.387 7.212 ( 21.625 7.210 2.068) 22.889 7.473 ( 5.396 9.411 3.422) 11.375 8.166 ( 15.840 4.947 11.532) 20.208 9.366 ( -2.692 -7.315 4.912) 9.213 10.330 ( -32.771 -6.367 7.503) 34.216 10.819 ( -6.522 -11.248 -6.533) 14.551 11.217 ( -17.449 -11.346 4.492) 21.293 11.696 ( 6.878 4.725 -5.928) 10.236 13.507 ( -18.848 -9.687 -19.479) 28.784 17.340 ( -2.150 -0.215 -0.713) 2.275 17.580 ( 4.290 -7.244 0.429) 8.430 17.979 ( 2.985 10.210 -2.094) 10.841 18.827 ( 3.428 2.503 0.900) 4.339 20.546 ( 0.345 0.614 7.243) 7.277 20.962 ( -4.441 -2.494 0.469) 5.115 29.342 ( -3.790 -2.010 -1.419) 4.518 29.993 ( -8.026 -5.302 -3.918) 10.387 36.113 ( 0.478 0.121 2.887) 2.929 36.406 ( -1.924 -2.936 -2.471) 4.292 36.735 ( 2.431 2.281 8.076) 8.737 41.217 ( 6.835 5.092 -31.410) 32.546 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 0.432 -3.551 7.559) 8.362 1.721 ( -0.531 -4.218 11.605) 12.360 2.246 ( 0.880 5.786 -0.779) 5.904 2.528 ( 1.397 1.370 1.831) 2.680 3.684 ( 10.320 2.767 -7.400) 12.997 4.302 ( 5.589 7.630 0.784) 9.490 4.826 ( 9.136 12.010 -5.336) 16.005 5.896 ( 34.501 5.651 -9.246) 36.163 6.359 ( 16.082 14.616 2.947) 21.930 7.704 ( 23.359 13.320 0.637) 26.898 7.836 ( 16.980 20.382 5.311) 27.054 8.482 ( 12.756 -4.625 10.685) 17.270 9.234 ( -6.728 -9.567 4.208) 12.430 9.671 ( -37.599 -12.642 11.115) 41.195 10.566 ( -6.247 -8.043 -8.455) 13.236 10.922 ( -9.768 -6.176 -0.208) 11.558 11.842 ( 9.498 5.051 -7.545) 13.140 13.068 ( -16.764 -5.658 -9.005) 19.853 17.300 ( -1.109 -1.479 -0.238) 1.864 17.589 ( 4.200 -5.478 -1.341) 7.032 18.159 ( 7.075 11.692 -3.158) 14.026 18.841 ( -3.830 -1.267 4.412) 5.979 20.594 ( 1.080 0.764 4.333) 4.530 20.864 ( -4.511 -2.493 0.148) 5.156 29.285 ( -0.595 -0.130 -1.453) 1.576 29.785 ( -8.194 -5.548 -3.604) 10.532 36.128 ( 0.413 -0.322 1.466) 1.556 36.338 ( -2.310 -2.066 -1.231) 3.335 36.831 ( 1.399 1.433 8.774) 9.000 41.204 ( 3.620 2.915 -21.600) 22.094 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -5.243 1.170 -0.026) 5.372 1.777 ( 2.299 -5.716 13.501) 14.840 2.295 ( -0.024 3.397 -2.069) 3.977 2.588 ( 2.655 1.450 1.199) 3.254 3.861 ( 10.952 2.024 -4.973) 12.198 4.382 ( -2.262 3.593 1.759) 4.596 5.016 ( 5.252 6.971 -3.467) 9.391 6.411 ( 28.784 2.427 -11.446) 31.071 6.616 ( 3.539 6.156 5.900) 9.232 8.145 ( 5.662 5.083 3.576) 8.407 8.266 ( 0.619 27.884 3.238) 28.078 8.520 ( 2.642 -7.400 6.394) 10.130 9.017 ( -6.138 -15.935 3.028) 17.343 9.206 ( -5.181 -10.525 2.360) 11.967 10.406 ( -3.799 -1.492 -4.143) 5.816 10.758 ( -5.266 -1.825 -0.605) 5.606 12.034 ( 12.252 5.110 -7.727) 15.360 12.738 ( -15.098 -3.997 0.293) 15.620 17.278 ( 0.022 -1.251 0.159) 1.261 17.599 ( 2.416 -2.453 -1.587) 3.791 18.375 ( 9.183 9.169 -5.847) 14.234 18.738 ( -8.506 -3.847 7.045) 11.695 20.642 ( 1.763 0.853 2.449) 3.136 20.772 ( -3.841 -2.029 -0.361) 4.359 29.311 ( 3.239 2.014 -0.447) 3.840 29.588 ( -7.561 -4.974 -2.470) 9.382 36.144 ( 1.199 0.086 0.046) 1.203 36.278 ( -2.463 -1.503 0.066) 2.886 36.890 ( 0.200 0.572 5.657) 5.690 41.181 ( 1.583 1.304 -11.447) 11.629 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -0.000 -0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 2.302 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 -0.000 -0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.369 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 6.671 ( 0.000 -0.000 -0.000) 0.000 6.697 ( -0.000 0.000 0.000) 0.000 7.992 ( 0.000 0.000 0.000) 0.000 8.567 ( 0.000 0.000 0.000) 0.000 8.605 ( 0.000 -0.000 0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 9.163 ( 0.000 0.000 0.000) 0.000 10.359 ( 0.000 0.000 0.000) 0.000 10.706 ( 0.000 0.000 0.000) 0.000 12.188 ( 0.000 0.000 0.000) 0.000 12.551 ( 0.000 0.000 0.000) 0.000 17.274 ( 0.000 0.000 0.000) 0.000 17.604 ( 0.000 0.000 0.000) 0.000 18.549 ( 0.000 0.000 -0.000) 0.000 18.597 ( -0.000 -0.000 0.000) 0.000 20.696 ( 0.000 0.000 0.000) 0.000 20.699 ( 0.000 0.000 0.000) 0.000 29.408 ( 0.000 0.000 0.000) 0.000 29.434 ( -0.000 -0.000 -0.000) 0.000 36.160 ( 0.000 0.000 0.000) 0.000 36.244 ( 0.000 0.000 0.000) 0.000 36.908 ( 0.000 0.000 0.000) 0.000 41.170 ( 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: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -1.602 15.715 27.162) 31.421 0.953 ( -14.057 40.426 7.688) 43.485 1.457 ( 10.173 60.912 0.319) 61.756 2.617 ( -1.524 -15.291 23.310) 27.920 3.146 ( 3.776 6.475 -4.459) 8.722 3.399 ( -0.019 15.371 -9.405) 18.020 3.869 ( 5.038 6.915 -1.728) 8.728 4.023 ( -4.937 22.786 -4.723) 23.789 4.372 ( -1.382 6.009 2.374) 6.608 6.612 ( 0.504 5.576 4.674) 7.294 7.458 ( -4.610 1.591 5.280) 7.188 7.522 ( 4.140 5.989 5.646) 9.213 9.428 ( -2.283 -2.462 -0.329) 3.374 11.005 ( -7.948 -8.459 -9.755) 15.162 11.119 ( 5.117 -1.917 0.474) 5.485 11.448 ( 1.847 2.999 -23.126) 23.393 11.756 ( 3.064 7.997 -13.750) 16.199 14.562 ( -3.014 -1.724 -9.510) 10.124 17.462 ( -2.421 -5.091 1.013) 5.728 17.724 ( 8.764 -6.905 -1.351) 11.238 17.875 ( -2.162 2.815 1.096) 3.715 18.217 ( -2.233 25.701 -27.789) 37.918 20.624 ( 0.446 -20.872 37.162) 42.625 21.110 ( 0.009 -2.300 0.812) 2.439 29.578 ( -0.258 -7.124 7.600) 10.420 30.295 ( -0.086 -3.943 -2.382) 4.607 36.017 ( -0.871 0.256 -0.602) 1.089 36.547 ( 4.637 -1.312 -1.365) 5.009 36.569 ( -4.996 0.183 0.020) 5.000 40.552 ( 1.198 79.825 -140.448) 161.553 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 7.296 12.142 22.820) 26.859 1.354 ( 9.968 33.632 -4.107) 35.318 2.137 ( 17.131 9.718 1.374) 19.743 2.526 ( -3.998 -4.443 8.908) 10.728 3.347 ( 9.946 13.552 -0.854) 16.832 3.776 ( 18.059 31.037 1.858) 35.957 3.980 ( -2.984 16.381 -6.298) 17.802 4.274 ( 14.500 18.752 -6.906) 24.690 4.581 ( 16.491 20.373 -3.335) 26.422 6.761 ( 6.295 8.959 2.658) 11.268 7.435 ( -1.875 1.768 4.277) 4.993 7.752 ( 9.119 8.922 10.849) 16.748 9.372 ( -0.268 -6.043 -0.098) 6.050 10.751 ( -2.448 -14.966 -10.261) 18.310 11.127 ( -4.472 0.046 0.405) 4.491 11.434 ( 6.861 -2.770 -14.100) 15.923 11.787 ( -3.107 -4.087 6.828) 8.542 14.174 ( -25.434 -9.263 -14.286) 30.607 17.378 ( -1.178 -3.783 -0.382) 3.980 17.661 ( -7.442 -0.943 2.670) 7.962 17.916 ( 2.296 2.918 -0.868) 3.813 18.473 ( 16.058 12.455 -13.960) 24.655 20.591 ( -2.593 -7.934 19.049) 20.797 21.073 ( -1.869 -3.219 0.994) 3.853 29.494 ( -4.701 -5.149 2.613) 7.446 30.199 ( -3.828 -5.844 -3.857) 7.980 36.051 ( 3.903 0.182 0.665) 3.963 36.464 ( -4.527 -2.508 -1.555) 5.403 36.639 ( 5.542 1.153 1.082) 5.763 40.797 ( 17.003 34.792 -73.713) 83.265 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 8.870 6.876 18.817) 21.910 1.715 ( 4.236 19.668 -2.298) 20.250 2.253 ( 3.476 -6.608 0.472) 7.481 2.536 ( -0.921 1.763 4.428) 4.854 3.614 ( -0.584 17.683 -1.785) 17.782 4.052 ( 4.235 24.499 -4.872) 25.335 4.380 ( 19.437 8.804 -1.460) 21.387 4.785 ( 27.458 21.091 -9.164) 35.815 5.305 ( 36.952 34.158 -2.298) 50.373 6.979 ( 10.153 3.399 2.810) 11.069 7.542 ( 5.670 14.180 3.255) 15.614 8.067 ( 11.107 6.942 13.408) 18.744 9.274 ( -1.183 -14.474 2.610) 14.755 10.543 ( -1.563 -11.868 -6.780) 13.757 10.984 ( -14.461 1.505 1.106) 14.581 11.380 ( -4.642 -13.331 -2.934) 14.418 11.670 ( -8.688 2.292 5.576) 10.575 13.554 ( -20.552 -16.129 -18.499) 32.012 17.344 ( 0.985 -2.838 -2.368) 3.825 17.559 ( -6.400 1.101 3.365) 7.314 17.998 ( 3.713 5.755 -0.884) 6.905 18.736 ( 10.800 5.115 -5.371) 13.102 20.590 ( -0.706 -2.748 10.477) 10.854 21.001 ( -3.283 -3.674 0.849) 5.000 29.375 ( -4.549 -4.104 -0.090) 6.127 30.027 ( -6.222 -7.239 -4.969) 10.762 36.124 ( 2.162 0.999 3.033) 3.856 36.374 ( -1.310 -2.798 -2.945) 4.268 36.755 ( 4.341 2.629 4.927) 7.074 40.960 ( 10.259 15.843 -43.766) 47.663 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 3.993 4.123 14.221) 15.335 1.864 ( -4.031 12.362 3.995) 13.602 2.294 ( 2.876 4.751 0.164) 5.556 2.524 ( -1.949 -2.333 3.632) 4.736 3.686 ( -4.096 16.883 -6.243) 18.461 4.399 ( 4.083 26.349 -0.672) 26.672 4.712 ( 15.214 8.092 -6.359) 18.369 5.374 ( 29.223 13.446 -11.237) 34.075 6.165 ( 29.098 20.282 0.136) 35.470 7.245 ( 23.899 -3.103 4.553) 24.526 7.934 ( 12.627 29.718 1.301) 32.315 8.351 ( 9.062 1.262 13.594) 16.386 9.075 ( -1.986 -24.937 4.445) 25.407 10.387 ( -14.079 -0.501 3.650) 14.553 10.606 ( -29.081 -3.357 -0.759) 29.284 11.066 ( -12.949 -5.585 0.973) 14.136 11.663 ( 5.936 -0.603 -9.574) 11.282 13.087 ( -7.658 -17.642 -9.380) 21.398 17.319 ( 0.742 -2.064 -3.022) 3.735 17.509 ( -2.810 1.311 1.931) 3.653 18.139 ( 5.815 7.573 -1.444) 9.657 18.864 ( 2.979 0.699 -0.125) 3.063 20.613 ( 0.200 -0.902 6.208) 6.277 20.908 ( -3.961 -3.559 0.482) 5.347 29.282 ( -1.911 -2.656 -0.969) 3.412 29.821 ( -6.625 -7.714 -4.797) 11.243 36.153 ( -1.336 0.996 2.812) 3.269 36.344 ( 0.215 0.752 -3.007) 3.108 36.871 ( 2.433 2.248 7.885) 8.553 41.015 ( 6.781 6.106 -28.613) 30.033 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -6.106 11.634 3.511) 13.599 1.927 ( -5.502 10.392 13.932) 18.231 2.357 ( -4.036 5.456 -0.622) 6.815 2.522 ( 4.901 -2.396 0.394) 5.469 3.786 ( 1.600 14.977 -5.903) 16.178 4.600 ( -6.366 20.301 -0.297) 21.278 4.974 ( 8.167 11.802 -6.325) 15.684 5.888 ( 29.047 5.872 -11.509) 31.791 6.588 ( 9.478 6.290 3.217) 11.822 7.789 ( 36.128 -0.641 4.157) 36.372 8.400 ( 7.443 5.438 4.374) 10.203 8.502 ( 3.588 12.298 6.939) 14.569 8.821 ( -0.382 -23.750 3.652) 24.032 9.785 ( -48.616 6.650 4.968) 49.320 10.409 ( 0.270 -1.255 -5.002) 5.164 10.882 ( -9.694 2.227 -0.368) 9.953 11.745 ( 14.549 -6.419 -10.387) 18.994 12.820 ( -5.249 -14.898 1.600) 15.877 17.313 ( 0.515 1.029 -0.599) 1.297 17.502 ( 0.655 0.186 -1.332) 1.496 18.300 ( 6.600 6.525 -3.769) 10.017 18.853 ( -4.177 -2.095 3.725) 5.976 20.641 ( 0.787 -0.118 3.609) 3.695 20.813 ( -3.881 -2.930 0.029) 4.863 29.264 ( 2.366 -0.789 -0.547) 2.553 29.623 ( -5.894 -7.379 -3.548) 10.089 36.151 ( -0.978 1.332 1.041) 1.953 36.342 ( -2.541 4.692 -1.832) 5.642 36.944 ( -0.636 1.363 6.972) 7.132 41.032 ( 6.566 -0.295 -16.715) 17.961 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -12.994 16.176 0.096) 20.749 2.002 ( -8.774 15.211 7.807) 19.217 2.309 ( -1.921 -0.553 -0.608) 2.090 2.582 ( 3.405 -2.096 -1.255) 4.191 3.943 ( 3.352 11.876 -3.388) 12.796 4.598 ( -12.600 14.666 -0.645) 19.346 5.120 ( -0.717 10.339 -3.452) 10.924 6.323 ( 24.501 0.801 -10.092) 26.510 6.752 ( 4.877 2.227 5.335) 7.564 8.024 ( -7.295 -22.483 8.698) 25.187 8.476 ( 19.503 -2.429 1.563) 19.715 8.580 ( -11.376 -17.293 0.861) 20.717 8.876 ( 6.615 27.334 -3.214) 28.306 9.290 ( -18.164 10.166 0.498) 20.821 10.415 ( -0.959 5.670 -0.488) 5.771 10.755 ( -6.808 0.683 -0.806) 6.889 11.907 ( 19.293 -11.969 -4.752) 23.196 12.611 ( -7.034 -10.790 4.696) 13.710 17.347 ( -1.743 6.051 2.719) 6.859 17.517 ( 4.203 -2.290 -3.932) 6.195 18.435 ( 7.008 3.055 -6.061) 9.756 18.739 ( -9.019 -2.926 5.807) 11.118 20.677 ( 1.766 0.532 1.893) 2.643 20.728 ( -3.272 -2.025 -0.557) 3.888 29.339 ( 6.436 0.989 0.495) 6.531 29.454 ( -4.700 -6.452 -1.947) 8.217 36.159 ( 0.018 1.173 -0.121) 1.179 36.332 ( -4.748 7.818 -0.800) 9.182 36.947 ( -2.935 0.987 2.232) 3.817 41.069 ( 7.380 -4.063 -4.980) 9.786 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -10.840 17.987 1.100) 21.030 1.971 ( -12.541 16.124 -9.284) 22.438 2.292 ( -0.632 -1.958 3.817) 4.336 2.570 ( 0.249 -4.562 -1.793) 4.908 4.032 ( -4.562 7.656 0.642) 8.935 4.509 ( -10.957 11.109 -0.846) 15.626 5.108 ( -8.773 5.679 0.069) 10.451 6.510 ( 6.054 -4.581 -7.943) 10.988 6.804 ( -10.938 -1.659 10.282) 15.104 7.840 ( 13.865 -12.439 -3.935) 19.038 8.124 ( -14.282 -28.160 -0.234) 31.575 8.606 ( -2.809 0.503 -1.541) 3.243 9.108 ( -3.453 11.536 -0.806) 12.068 9.390 ( 4.308 27.678 -4.067) 28.305 10.439 ( -3.634 6.469 1.510) 7.572 10.721 ( 2.993 2.099 1.056) 3.806 12.025 ( 8.950 -19.272 6.542) 22.233 12.501 ( 5.773 -5.295 -0.421) 7.845 17.373 ( -4.862 7.602 2.312) 9.315 17.569 ( 5.944 -1.191 -2.153) 6.433 18.444 ( -4.325 -10.417 0.405) 11.286 18.657 ( 0.594 6.183 -1.383) 6.364 20.659 ( -2.664 -1.353 -1.330) 3.270 20.732 ( 3.117 1.223 0.804) 3.444 29.329 ( -2.844 -4.884 -0.264) 5.658 29.492 ( 9.130 2.270 1.317) 9.500 36.163 ( -0.432 0.605 -0.787) 1.082 36.335 ( -4.081 8.586 0.321) 9.511 36.899 ( -3.365 1.239 -3.663) 5.126 41.147 ( 7.070 -5.258 5.613) 10.447 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -5.396 20.534 1.468) 21.282 1.813 ( -11.110 8.689 -16.860) 21.981 2.259 ( -3.541 -0.802 1.680) 4.001 2.504 ( -0.814 -6.270 -0.498) 6.342 3.952 ( -13.114 6.765 4.761) 15.505 4.440 ( -9.048 6.715 -0.172) 11.269 4.945 ( -14.884 -0.119 2.933) 15.171 6.410 ( -7.660 -7.980 -6.053) 12.609 6.430 ( -29.625 -7.188 7.905) 31.492 7.615 ( -10.111 -30.971 -1.073) 32.597 7.995 ( 2.396 -7.823 -5.363) 9.783 8.613 ( 8.307 6.553 -5.594) 11.968 8.984 ( -11.933 -4.297 -4.255) 13.378 9.687 ( 1.475 30.798 -6.765) 31.567 10.550 ( 8.181 9.421 3.391) 12.930 10.871 ( 6.328 7.588 3.539) 10.495 11.913 ( -4.062 -15.008 8.916) 17.922 12.724 ( 25.131 -6.630 2.891) 26.151 17.366 ( -3.711 5.082 0.666) 6.328 17.654 ( 2.562 4.374 0.058) 5.069 18.195 ( -9.705 -14.335 3.101) 17.586 18.765 ( 4.769 5.181 -4.218) 8.208 20.597 ( -2.389 -1.164 -2.294) 3.511 20.810 ( 4.277 1.575 0.209) 4.563 29.271 ( 0.266 -2.776 0.897) 2.929 29.688 ( 10.222 3.044 1.925) 10.838 36.149 ( -1.354 0.885 -1.295) 2.072 36.361 ( -1.596 5.314 1.439) 5.732 36.829 ( -3.331 1.958 -7.669) 8.588 41.251 ( 4.971 -4.511 13.283) 14.883 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -18.465 3.936 -13.367) 23.133 1.852 ( 1.696 14.976 -1.745) 15.173 2.206 ( -1.748 2.232 -2.329) 3.669 2.420 ( -0.773 -9.046 1.596) 9.218 3.827 ( -14.629 9.534 6.153) 18.514 4.290 ( -15.380 2.626 1.809) 15.707 4.654 ( -17.266 -8.360 4.401) 19.682 5.823 ( -35.132 -9.739 1.395) 36.484 5.995 ( -28.336 -16.549 -2.577) 32.915 7.238 ( -4.928 -20.416 -0.961) 21.024 7.734 ( -20.770 3.449 -3.926) 21.417 8.404 ( -25.451 -3.653 -7.955) 26.915 9.085 ( 25.147 -8.686 -5.305) 27.128 10.033 ( 13.621 24.976 -7.032) 29.305 10.842 ( 9.568 10.535 4.341) 14.879 11.084 ( 9.097 8.457 1.314) 12.490 11.754 ( -4.873 -10.117 6.411) 12.931 13.197 ( 32.126 -1.383 9.554) 33.545 17.360 ( -1.828 2.762 0.050) 3.313 17.710 ( -3.055 5.329 -0.442) 6.158 17.948 ( -4.731 -11.223 3.697) 12.728 18.827 ( 0.486 1.524 -3.027) 3.423 20.532 ( -2.332 -1.194 -3.248) 4.173 20.901 ( 4.840 1.451 -0.089) 5.054 29.295 ( 3.607 -0.538 1.257) 3.857 29.898 ( 10.184 3.024 1.962) 10.803 36.124 ( -1.662 0.646 -1.838) 2.561 36.394 ( 1.073 0.491 2.126) 2.431 36.753 ( -3.856 3.109 -7.948) 9.365 41.350 ( 1.651 -2.916 17.168) 17.492 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -19.371 -0.950 -11.032) 22.312 1.850 ( -15.856 6.451 0.233) 17.120 2.223 ( 1.554 -3.131 -7.562) 8.330 2.383 ( 3.613 -1.330 6.152) 7.257 3.651 ( -20.873 5.859 1.581) 21.737 4.071 ( -14.960 6.324 7.347) 17.826 4.276 ( -17.871 -14.593 3.079) 23.277 5.066 ( -40.532 -20.316 -2.685) 45.418 5.248 ( -41.673 -1.989 -1.373) 41.743 6.983 ( -10.380 -8.449 -1.293) 13.446 7.493 ( -11.526 7.729 -2.205) 14.052 7.943 ( -17.652 -7.788 -5.173) 19.975 9.300 ( 11.892 -4.526 -4.274) 13.423 10.499 ( 21.150 14.393 -5.162) 26.099 11.034 ( 4.180 1.598 4.539) 6.374 11.365 ( 15.366 7.310 -2.894) 17.261 11.635 ( -3.262 -6.981 6.088) 9.821 13.807 ( 31.432 5.194 8.550) 32.986 17.356 ( -0.489 1.015 -0.503) 1.233 17.637 ( -1.920 -5.726 1.140) 6.146 17.906 ( -1.175 3.667 2.540) 4.613 18.771 ( -5.979 -1.350 -1.142) 6.235 20.465 ( -2.326 -0.932 -3.597) 4.384 20.992 ( 4.627 0.906 -0.153) 4.718 29.380 ( 5.420 0.724 0.644) 5.506 30.091 ( 8.968 1.942 1.131) 9.245 36.088 ( -1.891 -0.063 -1.778) 2.596 36.428 ( 3.433 -2.848 1.610) 4.742 36.686 ( -4.125 3.800 -4.789) 7.375 41.420 ( -1.302 -1.239 16.407) 16.505 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -20.633 1.553 -2.530) 20.845 1.443 ( -32.864 -2.818 -6.824) 33.683 2.073 ( -20.892 0.837 5.554) 21.634 2.455 ( 0.710 0.462 -0.323) 0.907 3.336 ( -16.675 0.080 1.978) 16.792 3.770 ( -30.056 -1.742 -0.584) 30.112 3.987 ( -10.618 2.785 5.500) 12.277 4.339 ( -23.602 -3.514 -1.636) 23.919 4.638 ( -30.115 2.341 -3.371) 30.393 6.739 ( -12.548 -0.123 0.120) 12.549 7.428 ( -1.789 1.126 -3.135) 3.781 7.646 ( -12.250 -0.773 2.350) 12.497 9.389 ( 5.027 -0.791 -2.164) 5.530 10.879 ( 15.140 5.936 -5.795) 17.264 11.094 ( 3.128 -4.839 3.823) 6.915 11.567 ( -1.391 1.323 -0.697) 2.043 11.680 ( 16.681 -2.638 5.258) 17.688 14.322 ( 22.619 1.133 -3.398) 22.901 17.386 ( 3.377 1.842 -0.753) 3.920 17.616 ( 5.127 -5.857 3.017) 8.349 17.921 ( -3.062 3.102 0.305) 4.369 18.610 ( -11.605 0.442 -0.522) 11.625 20.410 ( -2.198 0.035 0.436) 2.241 21.065 ( 3.606 0.001 0.022) 3.606 29.474 ( 4.884 0.081 -0.178) 4.887 30.233 ( 6.599 0.017 -0.278) 6.604 36.049 ( -1.771 -0.006 -0.439) 1.824 36.475 ( 4.456 -1.623 0.290) 4.751 36.637 ( -3.558 1.555 -0.961) 4.000 41.441 ( -2.082 0.000 1.134) 2.371 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -7.343 14.581 21.615) 27.087 1.538 ( -9.402 26.397 4.802) 28.430 2.026 ( -20.353 16.871 0.436) 26.439 2.511 ( 6.729 -9.740 5.759) 13.165 3.291 ( -10.974 16.470 -3.949) 20.181 3.769 ( -16.114 21.033 -5.247) 27.011 3.854 ( 1.857 18.540 -5.950) 19.560 4.329 ( -16.428 19.037 -2.834) 25.304 4.661 ( -14.062 24.491 -0.628) 28.248 6.756 ( -6.831 9.528 2.164) 11.922 7.516 ( 5.185 5.862 8.048) 11.226 7.693 ( -12.610 6.477 8.334) 16.444 9.438 ( -1.360 -5.981 4.259) 7.468 10.904 ( 13.463 -6.645 -3.290) 15.370 11.023 ( -5.469 -8.766 -4.961) 11.462 11.390 ( -7.567 -2.750 -18.811) 20.461 11.702 ( 4.307 -6.464 4.603) 9.029 14.265 ( 25.688 -5.915 -9.759) 28.108 17.402 ( 4.741 -1.837 1.327) 5.255 17.574 ( -3.546 -6.518 -2.291) 7.765 17.904 ( 3.329 4.985 -2.019) 6.325 18.496 ( -14.683 12.416 -11.730) 22.524 20.578 ( 2.767 -8.017 18.408) 20.268 21.072 ( 1.896 -3.257 0.951) 3.887 29.498 ( 4.845 -5.164 2.872) 7.641 30.206 ( 3.564 -5.263 -3.501) 7.257 36.065 ( -3.375 -0.145 1.750) 3.804 36.454 ( 1.325 -4.617 -2.266) 5.311 36.667 ( -3.211 3.831 2.771) 5.715 40.763 ( -16.672 34.292 -75.850) 84.895 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -1.589 12.432 22.991) 26.185 1.586 ( -3.163 15.625 5.095) 16.736 1.997 ( -0.362 4.936 -11.398) 12.426 2.538 ( 2.723 -4.559 7.704) 9.357 3.346 ( 1.457 17.505 -2.676) 17.768 3.852 ( 5.096 13.558 -2.576) 14.711 4.150 ( 4.154 31.749 0.228) 32.020 4.487 ( 1.986 35.416 -7.763) 36.311 4.672 ( -10.128 32.431 -5.030) 34.346 6.824 ( 0.374 13.115 1.574) 13.214 7.565 ( -8.299 1.555 10.366) 13.369 7.774 ( 6.182 11.824 8.415) 15.775 9.363 ( -2.841 -3.995 0.222) 4.907 10.618 ( -10.575 -21.019 -10.068) 25.593 11.063 ( 11.023 -3.943 -1.051) 11.754 11.240 ( 0.436 -5.685 -11.950) 13.241 11.753 ( 4.246 -2.024 3.406) 5.807 14.366 ( -6.391 -11.218 -4.582) 13.700 17.390 ( -3.791 -2.863 0.362) 4.764 17.595 ( 12.131 -5.212 -0.447) 13.211 17.944 ( -2.870 3.140 0.949) 4.359 18.410 ( -1.848 16.472 -14.285) 21.881 20.606 ( 0.547 -8.693 15.110) 17.441 21.058 ( 0.042 -4.216 1.163) 4.373 29.501 ( -0.256 -6.427 3.195) 7.182 30.154 ( -0.603 -6.797 -4.484) 8.165 36.012 ( -0.785 0.137 -1.091) 1.351 36.499 ( 8.430 -2.018 -1.332) 8.770 36.579 ( -9.283 0.271 1.100) 9.352 40.678 ( 1.847 42.859 -64.852) 77.756 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 1.238 8.915 21.181) 23.014 1.837 ( 7.105 17.075 -0.401) 18.498 1.965 ( 11.426 -13.012 -9.132) 19.577 2.603 ( 0.764 1.529 8.170) 8.347 3.644 ( 14.232 17.941 -2.239) 23.010 4.071 ( 16.062 -0.607 -5.702) 17.055 4.377 ( -10.519 25.703 0.491) 27.776 4.797 ( 6.918 39.486 -13.500) 42.299 5.183 ( 16.519 46.112 -0.842) 48.989 6.983 ( 0.454 11.943 2.031) 12.123 7.588 ( 3.564 8.619 7.383) 11.895 8.056 ( 8.079 10.545 11.057) 17.284 9.234 ( -6.963 -8.787 -0.105) 11.212 10.316 ( 4.094 -21.756 -4.858) 22.665 11.087 ( -2.166 -6.186 -3.582) 7.469 11.190 ( 6.964 -6.787 -6.670) 11.792 11.819 ( 0.979 -0.192 6.558) 6.633 13.825 ( -34.365 -15.605 -7.739) 38.527 17.315 ( -2.514 -1.762 -1.949) 3.637 17.689 ( 0.579 0.380 1.664) 1.803 17.954 ( 2.701 2.254 0.683) 3.583 18.569 ( 10.204 9.465 -8.872) 16.505 20.609 ( 0.226 -4.893 10.124) 11.246 21.007 ( -1.655 -4.697 1.058) 5.091 29.414 ( -4.361 -5.005 1.526) 6.812 30.014 ( -4.331 -8.144 -5.477) 10.727 36.060 ( 5.869 0.690 -0.425) 5.924 36.432 ( -7.861 0.118 -0.200) 7.865 36.648 ( 10.708 -1.587 1.709) 10.959 40.817 ( 4.581 28.668 -44.994) 53.547 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 3.581 5.162 16.363) 17.528 1.998 ( 4.244 6.892 -1.962) 8.328 2.137 ( 14.520 -0.665 -0.852) 14.560 2.641 ( -4.714 3.383 8.771) 10.517 3.947 ( -1.467 17.178 -1.645) 17.319 4.326 ( 22.146 -2.245 -12.470) 25.514 4.611 ( 8.907 34.017 -2.349) 35.243 5.235 ( 8.790 33.482 -10.452) 36.160 5.870 ( 24.643 24.742 -0.558) 34.925 7.057 ( 0.898 2.087 4.523) 5.061 7.958 ( 15.782 23.083 4.424) 28.310 8.325 ( 6.816 6.809 10.740) 14.428 8.961 ( -8.478 -20.112 2.418) 21.959 10.260 ( 8.993 -12.027 -2.244) 15.185 10.940 ( -3.865 -11.835 -2.638) 12.727 11.162 ( -3.287 -0.490 -1.704) 3.735 11.774 ( -14.789 4.376 1.888) 15.538 13.070 ( -24.260 -20.573 -6.801) 32.528 17.248 ( -0.568 -2.895 -4.345) 5.252 17.673 ( -6.207 5.857 2.572) 8.913 18.077 ( 7.510 2.900 0.301) 8.056 18.761 ( 8.736 2.804 -3.869) 9.957 20.624 ( 0.502 -2.335 6.574) 6.994 20.929 ( -2.790 -4.525 0.683) 5.360 29.302 ( -4.233 -3.293 0.327) 5.373 29.817 ( -5.772 -8.690 -5.464) 11.777 36.172 ( 4.328 0.952 2.317) 5.001 36.344 ( -2.578 2.773 -2.757) 4.684 36.821 ( 9.211 -1.250 5.157) 10.630 40.882 ( 1.573 15.034 -30.799) 34.309 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 3.692 7.698 9.659) 12.892 2.115 ( 1.740 5.813 3.592) 7.051 2.348 ( 10.595 0.746 -0.589) 10.638 2.599 ( -10.908 6.173 8.119) 14.933 4.016 ( -7.059 20.350 -2.347) 21.667 4.602 ( 19.087 0.887 -15.297) 24.477 5.104 ( 4.515 36.834 0.894) 37.121 5.598 ( 9.751 22.877 -10.299) 26.917 6.428 ( 21.075 7.899 0.230) 22.508 7.235 ( 22.951 -2.561 4.848) 23.596 8.304 ( 0.247 -16.127 10.584) 19.291 8.554 ( 10.077 16.767 -0.252) 19.564 8.732 ( -0.556 -2.316 4.111) 4.751 10.312 ( 6.900 -3.228 -2.340) 7.969 10.594 ( -31.163 -6.873 4.959) 32.295 11.089 ( -9.253 7.411 -0.903) 11.890 11.475 ( -7.980 -6.346 -11.945) 15.704 12.694 ( -0.371 -19.391 3.706) 19.746 17.218 ( 3.545 -2.455 -4.621) 6.321 17.638 ( -7.035 7.188 2.153) 10.286 18.225 ( 6.678 2.754 -1.109) 7.309 18.856 ( 2.844 -0.737 -0.376) 2.962 20.645 ( 0.565 -0.999 4.116) 4.272 20.841 ( -3.224 -3.740 0.269) 4.945 29.234 ( -0.833 -1.739 0.113) 1.932 29.617 ( -5.276 -8.302 -4.263) 10.721 36.203 ( -2.021 0.781 3.075) 3.762 36.389 ( 2.431 7.721 -4.354) 9.191 36.962 ( 4.715 -0.600 6.729) 8.238 40.866 ( 2.055 3.966 -19.683) 20.183 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -3.093 12.961 -0.232) 13.327 2.221 ( 2.740 2.442 8.500) 9.259 2.451 ( -0.567 -1.128 -1.758) 2.164 2.509 ( -9.128 8.713 5.093) 13.608 4.117 ( -4.385 22.040 -0.837) 22.487 4.757 ( 5.228 2.009 -12.269) 13.487 5.420 ( -9.304 37.366 1.127) 38.523 5.931 ( 18.206 10.801 -9.640) 23.261 6.687 ( 7.093 2.078 2.753) 7.887 7.790 ( 28.760 -8.310 8.458) 31.109 8.016 ( 6.655 -28.219 3.288) 29.179 8.621 ( -7.013 -6.758 -0.039) 9.739 8.997 ( 8.185 24.004 -1.860) 25.429 9.929 ( -41.380 4.781 0.798) 41.663 10.427 ( 6.079 4.801 1.291) 7.853 10.940 ( -12.967 2.664 -1.892) 13.372 11.418 ( 15.801 -15.384 -6.736) 23.059 12.573 ( -0.180 -15.156 6.690) 16.568 17.282 ( 7.889 -0.093 -3.134) 8.489 17.597 ( -7.076 6.706 1.321) 9.838 18.325 ( 5.132 -0.322 -3.093) 6.001 18.843 ( -3.256 -1.402 1.941) 4.042 20.668 ( 0.965 -0.116 2.351) 2.544 20.758 ( -3.124 -2.617 -0.128) 4.078 29.251 ( 4.067 -0.398 0.423) 4.108 29.447 ( -4.141 -7.273 -2.533) 8.744 36.189 ( -1.834 0.889 1.452) 2.503 36.477 ( -1.036 11.432 -3.262) 11.934 37.019 ( -1.471 0.689 4.322) 4.617 40.858 ( 6.722 -3.933 -9.042) 11.934 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -8.770 15.189 -4.204) 18.036 2.281 ( -4.299 -1.772 1.689) 4.947 2.353 ( -9.541 11.516 1.922) 15.078 2.498 ( -0.184 -3.279 0.848) 3.392 4.252 ( -5.601 20.861 1.248) 21.636 4.698 ( -5.178 -1.951 -5.841) 8.046 5.532 ( -18.538 34.316 -0.656) 39.009 6.269 ( 15.883 4.012 -7.789) 18.139 6.842 ( 7.659 2.855 5.802) 10.024 7.553 ( -2.397 -29.871 1.841) 30.024 8.199 ( -23.099 -21.995 -3.418) 32.078 8.467 ( 23.005 -2.081 4.100) 23.460 9.301 ( -2.595 16.961 -1.321) 17.209 9.571 ( -5.047 21.050 -3.757) 21.970 10.616 ( 4.122 12.013 3.415) 13.151 10.725 ( -10.398 -2.429 -1.948) 10.854 11.530 ( 20.427 -22.857 0.859) 30.667 12.441 ( -2.996 -11.518 3.954) 12.541 17.415 ( 8.044 -0.387 -3.711) 8.867 17.562 ( -5.318 8.666 3.049) 10.615 18.343 ( 2.315 -7.319 -3.091) 8.276 18.771 ( -5.483 2.139 2.038) 6.229 20.687 ( -2.862 -1.614 -0.531) 3.328 20.703 ( 2.029 0.615 1.089) 2.384 29.315 ( -2.071 -5.665 -1.336) 6.178 29.363 ( 7.693 0.500 0.992) 7.773 36.175 ( -1.053 0.394 0.034) 1.125 36.531 ( -5.149 12.283 -0.538) 13.329 36.977 ( -5.414 1.789 -1.284) 5.845 40.935 ( 11.593 -7.121 0.362) 13.610 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -5.632 12.043 -6.645) 14.863 2.098 ( -17.848 9.433 -3.389) 20.470 2.339 ( -3.532 2.607 -0.912) 4.483 2.447 ( -1.132 -7.281 3.872) 8.324 4.287 ( -13.197 16.165 0.413) 20.873 4.566 ( -4.039 -5.354 3.818) 7.717 5.454 ( -26.240 27.369 -1.318) 37.938 6.383 ( 0.351 0.604 -5.954) 5.995 6.824 ( -19.739 -5.277 4.501) 20.922 7.504 ( 7.060 -19.135 -4.261) 20.837 7.588 ( 2.278 -22.007 -0.682) 22.135 8.592 ( -2.107 -0.785 -0.224) 2.260 9.254 ( -12.428 5.982 -2.238) 13.974 9.903 ( 4.150 26.909 -5.582) 27.793 10.562 ( -1.668 4.532 -1.520) 5.063 10.866 ( 7.382 9.840 5.526) 13.486 11.654 ( 18.997 -25.555 8.686) 33.006 12.355 ( 6.245 -7.845 -0.845) 10.063 17.429 ( -0.444 -0.663 -4.728) 4.795 17.674 ( 2.532 10.230 4.112) 11.313 18.200 ( -5.902 -13.886 0.701) 15.105 18.769 ( -0.051 5.608 -0.571) 5.637 20.623 ( -2.902 -0.968 -1.049) 3.234 20.759 ( 3.388 0.898 0.443) 3.532 29.240 ( -0.391 -3.869 0.020) 3.888 29.536 ( 10.850 1.333 0.545) 10.945 36.160 ( -0.650 -0.141 -0.789) 1.033 36.528 ( -8.094 8.529 2.906) 12.112 36.887 ( -4.884 2.583 -6.483) 8.518 41.097 ( 12.814 -5.808 6.106) 15.337 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -15.070 -1.242 -12.578) 19.669 2.020 ( -5.708 18.218 2.530) 19.258 2.266 ( -4.170 -2.609 -3.823) 6.230 2.373 ( -1.906 -6.674 6.478) 9.494 4.166 ( -12.507 5.598 -0.027) 13.703 4.486 ( -8.233 -0.154 10.602) 13.424 5.157 ( -33.025 14.486 -2.441) 36.145 6.182 ( -23.679 -14.589 -1.444) 27.850 6.334 ( -23.463 2.403 -5.747) 24.276 7.134 ( -5.214 -15.455 -0.664) 16.324 7.852 ( 10.386 -3.451 1.848) 11.099 8.628 ( 12.963 0.583 -2.848) 13.285 8.861 ( -32.894 -2.215 -7.490) 33.808 10.112 ( 2.357 18.728 -3.028) 19.117 10.732 ( 12.600 2.831 -0.284) 12.917 11.063 ( 3.698 4.558 5.277) 7.892 11.707 ( 4.132 -13.525 8.528) 16.514 12.622 ( 32.534 -1.363 -1.202) 32.585 17.395 ( -0.634 0.766 -4.174) 4.291 17.775 ( -2.243 -0.533 -0.459) 2.351 17.985 ( -5.935 -3.951 6.535) 9.672 18.826 ( 1.193 3.180 -1.284) 3.631 20.560 ( -3.117 -0.551 -1.085) 3.346 20.834 ( 4.435 0.667 0.116) 4.486 29.234 ( 2.645 -1.514 0.529) 3.093 29.739 ( 11.692 1.291 -0.131) 11.764 36.140 ( -0.899 -0.738 -0.583) 1.301 36.465 ( -7.057 2.565 3.011) 8.090 36.812 ( -3.422 2.933 -6.336) 7.776 41.284 ( 9.978 -2.567 6.752) 12.318 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -18.120 -0.681 -7.836) 19.754 2.048 ( -7.732 -7.973 3.693) 11.705 2.179 ( -0.236 5.993 -3.721) 7.058 2.367 ( 1.689 0.734 6.572) 6.825 3.971 ( -12.548 -5.354 -0.711) 13.661 4.390 ( -13.699 4.936 11.333) 18.452 4.649 ( -32.585 3.271 -3.039) 32.890 5.519 ( -33.056 -9.736 -5.778) 34.941 5.930 ( -35.498 9.731 -2.267) 36.877 7.002 ( -2.072 -2.679 -0.730) 3.464 7.839 ( -13.513 8.161 2.069) 15.921 8.212 ( -29.641 -7.908 -4.375) 30.988 8.949 ( 22.432 -0.935 -2.071) 22.547 10.359 ( 10.500 13.711 -3.732) 17.668 10.900 ( 10.031 -12.055 5.057) 16.478 11.174 ( 9.285 -2.763 1.223) 9.765 11.667 ( -2.469 -2.494 4.760) 5.914 13.259 ( 38.652 5.807 -4.643) 39.361 17.379 ( -0.590 1.995 -3.635) 4.188 17.604 ( -4.546 -11.766 1.476) 12.700 18.010 ( -2.778 7.672 4.245) 9.198 18.835 ( -1.997 0.711 -0.220) 2.131 20.502 ( -3.147 0.096 0.117) 3.150 20.916 ( 4.903 0.029 0.069) 4.904 29.296 ( 4.967 0.038 0.145) 4.969 29.934 ( 10.999 0.240 -1.208) 11.068 36.111 ( -1.490 -1.061 0.585) 1.920 36.402 ( -2.276 -0.430 0.783) 2.445 36.757 ( -3.269 1.362 -2.240) 4.191 41.421 ( 4.914 -0.067 1.281) 5.079 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -16.567 3.034 3.067) 17.120 1.756 ( -15.621 -9.130 -2.197) 18.226 2.227 ( 0.989 3.568 2.702) 4.584 2.462 ( 1.714 1.004 4.776) 5.173 3.634 ( -17.715 -6.845 -1.125) 19.025 4.081 ( -18.917 -6.415 0.573) 19.983 4.388 ( -18.162 15.418 1.671) 23.883 4.898 ( -36.079 10.567 -5.717) 38.026 5.335 ( -46.051 12.409 -1.145) 47.708 6.950 ( -7.762 5.919 0.898) 9.803 7.549 ( -17.888 -1.268 -4.045) 18.384 7.897 ( -11.792 4.089 8.022) 14.836 9.249 ( 12.829 2.934 0.448) 13.168 10.635 ( 14.932 0.596 -4.929) 15.735 10.932 ( 8.381 -13.616 5.414) 16.880 11.356 ( 17.622 -9.088 4.678) 20.372 11.638 ( -3.781 4.112 -0.006) 5.586 13.820 ( 29.318 -0.675 -15.424) 33.134 17.380 ( 0.031 2.077 -2.223) 3.043 17.509 ( 2.442 -5.358 3.134) 6.670 18.006 ( -5.222 1.832 0.070) 5.534 18.778 ( -6.248 2.109 0.511) 6.614 20.470 ( -2.298 0.882 4.233) 4.897 20.992 ( 4.598 -0.913 0.242) 4.694 29.381 ( 5.318 -0.580 -0.699) 5.395 30.086 ( 9.157 -1.651 -2.374) 9.603 36.084 ( -1.632 -0.285 2.112) 2.685 36.407 ( 2.856 0.895 -0.952) 3.141 36.700 ( -3.772 -1.251 1.924) 4.415 41.431 ( -1.371 0.785 -14.174) 14.261 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -10.988 12.715 16.929) 23.853 1.832 ( -2.804 13.721 -2.411) 14.211 2.321 ( 4.515 -2.753 2.813) 5.989 2.340 ( -5.897 -4.128 4.362) 8.417 3.587 ( 0.310 18.949 -8.471) 20.758 3.916 ( -12.529 16.365 -10.082) 22.944 4.259 ( -15.904 9.000 0.035) 18.274 5.077 ( -34.996 27.327 -1.037) 44.414 5.233 ( -25.468 34.471 -3.057) 42.968 7.009 ( -12.451 5.323 2.155) 13.712 7.576 ( 2.421 14.469 8.447) 16.928 8.075 ( -17.536 9.720 11.325) 23.027 9.380 ( 1.320 -13.207 6.137) 14.623 10.537 ( 18.844 -9.814 -0.912) 21.266 10.960 ( 3.936 -2.537 -4.958) 6.820 11.364 ( 0.171 -13.601 -5.044) 14.507 11.570 ( 2.570 -1.984 0.243) 3.256 13.637 ( 28.512 -12.501 -12.932) 33.711 17.358 ( 1.578 1.629 -0.064) 2.268 17.628 ( -7.661 -1.525 -0.049) 7.811 17.862 ( 3.330 2.069 -3.193) 5.056 18.745 ( -9.287 5.456 -3.815) 11.427 20.576 ( 0.327 -2.830 9.888) 10.290 20.999 ( 3.282 -3.761 0.774) 5.051 29.374 ( 4.897 -4.314 0.020) 6.526 30.048 ( 6.391 -5.962 -4.199) 9.696 36.122 ( -1.557 0.592 2.695) 3.168 36.395 ( -0.751 -4.340 -2.558) 5.094 36.776 ( -1.742 5.246 6.575) 8.589 40.916 ( -11.528 14.714 -45.737) 49.410 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -5.075 5.194 3.803) 8.197 1.746 ( -9.850 0.259 1.699) 9.999 2.179 ( -12.540 1.333 1.932) 12.758 2.470 ( 6.037 0.041 7.665) 9.757 3.659 ( -14.557 19.238 -0.717) 24.136 3.857 ( 0.279 8.157 -14.192) 16.371 4.267 ( 1.642 21.057 -3.320) 21.381 4.995 ( -13.926 37.610 0.389) 40.107 5.257 ( -14.888 47.875 -5.578) 50.446 6.977 ( -2.172 10.522 2.544) 11.041 7.821 ( 1.356 15.305 11.118) 18.965 7.914 ( -15.377 7.197 9.154) 19.289 9.316 ( 2.938 -11.061 4.663) 12.358 10.623 ( -21.373 -24.698 -7.591) 33.533 10.742 ( 17.228 -6.181 -4.821) 18.927 11.168 ( -2.468 -6.832 -6.954) 10.056 11.661 ( 6.513 -1.958 2.437) 7.225 14.029 ( 28.634 -12.271 -3.247) 31.321 17.425 ( 3.324 3.333 -0.311) 4.717 17.442 ( -6.276 -5.729 -0.122) 8.499 17.960 ( 4.106 3.180 -2.589) 5.803 18.608 ( -10.676 8.852 -6.901) 15.490 20.597 ( 0.280 -4.286 9.700) 10.609 21.005 ( 1.754 -4.700 1.012) 5.118 29.415 ( 4.465 -5.508 1.437) 7.235 30.043 ( 3.080 -7.046 -4.760) 9.044 36.068 ( -5.577 -1.025 1.111) 5.778 36.360 ( 3.956 -2.013 -2.846) 5.273 36.754 ( -8.753 1.160 4.300) 9.821 40.765 ( -2.567 29.272 -46.687) 55.164 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 15.591 -7.289 -7.298) 18.694 1.651 ( -7.572 1.230 14.885) 16.746 2.010 ( -7.331 5.723 -1.866) 9.485 2.589 ( 4.984 -0.189 7.249) 8.799 3.663 ( -0.181 12.890 0.462) 12.900 3.849 ( 3.118 0.320 -12.303) 12.696 4.598 ( 9.543 22.027 -3.956) 24.330 5.092 ( -9.135 34.040 -11.330) 37.020 5.655 ( -4.314 57.232 2.437) 57.446 7.147 ( 2.472 19.365 1.299) 19.565 7.756 ( -11.999 8.661 10.919) 18.391 8.100 ( 6.274 12.050 8.537) 16.045 9.284 ( -3.406 -5.323 1.460) 6.486 10.025 ( -6.923 -33.391 -2.001) 34.160 10.916 ( 11.346 -7.712 -8.503) 16.141 11.026 ( 0.318 -7.839 -1.330) 7.957 11.778 ( 6.078 2.676 1.662) 6.846 14.050 ( -9.494 -17.966 -2.279) 20.448 17.349 ( -2.175 -1.722 -0.531) 2.825 17.523 ( 8.821 -1.088 -2.096) 9.131 18.007 ( -0.676 3.298 -1.208) 3.577 18.556 ( -1.557 9.619 -4.964) 10.935 20.609 ( 0.251 -3.155 7.821) 8.437 20.978 ( 0.048 -5.190 1.037) 5.293 29.412 ( 0.203 -5.008 1.364) 5.194 29.959 ( -1.560 -7.979 -5.399) 9.760 36.004 ( 0.015 0.465 -1.154) 1.245 36.450 ( 9.484 -2.136 -0.360) 9.728 36.597 ( -10.748 -0.527 2.761) 11.109 40.851 ( 1.824 29.639 -37.587) 47.902 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 26.221 -9.385 -4.987) 28.293 1.667 ( -3.042 4.128 16.902) 17.663 2.077 ( 5.090 8.294 0.084) 9.732 2.720 ( 4.699 1.133 9.099) 10.303 3.836 ( 14.516 -9.024 -8.410) 19.049 3.954 ( 14.335 13.093 -9.016) 21.406 4.849 ( 0.012 23.635 -1.255) 23.668 5.359 ( 7.638 35.875 -15.451) 39.801 6.048 ( -5.108 35.481 4.426) 36.119 7.267 ( -12.005 15.573 3.121) 19.909 7.948 ( 12.286 20.658 8.229) 25.405 8.353 ( 6.050 10.748 6.286) 13.843 8.982 ( -15.711 -19.825 1.008) 25.316 9.886 ( 16.597 -19.403 2.265) 25.633 10.780 ( -1.136 -14.892 -7.004) 16.496 11.120 ( 8.514 -1.275 -1.166) 8.688 11.914 ( 2.736 5.972 2.089) 6.894 13.428 ( -37.024 -20.126 -2.891) 42.240 17.264 ( -5.361 -0.441 -3.875) 6.630 17.681 ( 10.751 -1.813 -0.266) 10.906 18.024 ( 0.554 4.097 -1.028) 4.260 18.661 ( 5.242 6.262 -1.411) 8.288 20.627 ( 0.416 -1.596 5.740) 5.972 20.921 ( -1.383 -5.022 0.767) 5.265 29.347 ( -3.600 -2.956 0.909) 4.746 29.795 ( -4.822 -8.455 -5.501) 11.180 36.074 ( 6.969 1.612 -0.960) 7.217 36.454 ( -7.095 1.132 1.447) 7.329 36.618 ( 12.632 -3.611 2.459) 13.366 40.930 ( -2.714 21.248 -27.644) 34.972 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 3.047 4.903 12.750) 13.996 1.946 ( 18.913 -3.669 0.183) 19.266 2.247 ( 5.608 5.749 1.141) 8.112 2.828 ( -1.819 5.053 10.500) 11.793 3.990 ( 23.173 -9.941 -12.241) 28.029 4.275 ( 10.312 13.370 -8.398) 18.858 5.226 ( 15.440 31.298 -2.635) 34.999 5.776 ( 10.841 31.304 -9.702) 34.519 6.246 ( 0.430 14.519 3.179) 14.870 7.197 ( -10.151 9.902 3.838) 14.691 8.234 ( -5.665 -17.429 9.281) 20.543 8.571 ( 5.713 17.763 -0.953) 18.683 8.716 ( 6.113 0.464 3.803) 7.214 10.058 ( 17.119 -9.229 1.715) 19.524 10.595 ( 0.649 -16.118 -4.843) 16.842 11.210 ( 1.947 2.524 -0.250) 3.197 11.868 ( -23.399 5.582 -2.478) 24.183 12.658 ( -21.837 -19.111 2.192) 29.101 17.167 ( -2.013 -0.263 -4.566) 4.997 17.774 ( -0.070 2.168 0.470) 2.220 18.116 ( 7.184 1.245 -1.046) 7.366 18.786 ( 4.580 2.371 0.097) 5.158 20.648 ( 0.388 -0.625 3.890) 3.959 20.850 ( -2.188 -4.139 0.392) 4.698 29.265 ( -3.959 -1.160 0.802) 4.202 29.604 ( -5.247 -7.836 -4.543) 10.468 36.204 ( 5.217 0.238 1.532) 5.443 36.415 ( -0.918 7.109 -2.346) 7.543 36.815 ( 13.136 -4.643 4.998) 14.802 40.880 ( -6.747 10.869 -18.929) 22.846 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 3.531 7.898 4.783) 9.885 2.147 ( 9.089 -3.763 4.158) 10.680 2.350 ( 3.322 -0.203 -1.874) 3.820 2.856 ( -9.035 8.788 9.688) 15.897 4.261 ( 18.507 -0.806 -3.700) 18.891 4.486 ( 8.710 12.107 -13.191) 19.911 5.733 ( 9.252 28.930 -4.220) 30.665 6.119 ( -9.385 34.332 -0.953) 35.604 6.529 ( 22.756 4.425 1.343) 23.221 7.269 ( 14.842 3.127 3.438) 15.553 7.810 ( -10.884 -34.056 5.272) 36.140 8.685 ( -4.415 -0.496 1.105) 4.579 9.022 ( 11.329 17.260 -2.008) 20.743 10.264 ( 14.783 -4.689 0.985) 15.540 10.406 ( -10.293 -10.762 -0.469) 14.899 11.222 ( -7.997 5.214 -1.567) 9.674 11.271 ( -28.085 -4.790 -3.136) 28.663 12.445 ( 1.400 -11.385 5.382) 12.670 17.173 ( 4.070 2.286 -3.044) 5.572 17.754 ( -4.540 2.772 0.256) 5.326 18.219 ( 5.428 -2.041 -1.504) 5.991 18.851 ( 1.460 0.448 0.525) 1.615 20.667 ( 0.414 -0.049 2.349) 2.386 20.778 ( -2.486 -2.843 0.106) 3.778 29.221 ( -0.607 -0.196 0.868) 1.077 29.437 ( -4.354 -6.270 -2.873) 8.156 36.233 ( -1.259 -0.741 2.551) 2.940 36.529 ( 4.212 10.804 -4.751) 12.531 36.993 ( 8.307 -2.226 5.309) 10.107 40.760 ( -4.053 1.217 -10.715) 11.521 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -2.693 8.273 -3.096) 9.235 2.244 ( 4.823 -5.042 6.268) 9.380 2.354 ( 2.272 -3.142 -4.011) 5.579 2.794 ( -14.093 9.334 6.399) 18.074 4.494 ( 7.248 3.536 4.614) 9.291 4.630 ( 2.035 10.004 -13.086) 16.597 6.097 ( 10.426 19.412 -5.279) 22.658 6.180 ( -15.071 27.077 2.316) 31.075 6.821 ( 1.984 14.115 1.490) 14.331 7.356 ( -7.843 -29.444 2.445) 30.568 7.873 ( 45.263 -1.700 4.888) 45.558 8.362 ( -21.878 -19.443 -4.326) 29.587 9.381 ( 12.409 18.886 -3.005) 22.797 9.986 ( -27.713 1.449 0.205) 27.752 10.450 ( 14.248 -8.667 0.823) 16.697 10.956 ( -8.955 3.901 2.104) 9.992 11.179 ( 0.213 -4.893 -2.241) 5.386 12.378 ( -0.553 -10.770 3.813) 11.439 17.292 ( 6.676 3.888 -1.916) 7.960 17.707 ( -3.629 3.227 0.645) 4.899 18.232 ( 1.983 -6.102 -1.603) 6.613 18.854 ( -1.897 0.873 0.676) 2.195 20.688 ( 0.997 0.358 1.236) 1.628 20.715 ( -2.583 -1.562 -0.197) 3.024 29.255 ( 3.922 0.240 0.410) 3.951 29.313 ( -2.840 -4.325 -1.068) 5.283 36.207 ( -2.107 -0.329 1.055) 2.380 36.661 ( 1.779 9.517 -2.701) 10.052 37.069 ( -1.639 1.354 2.016) 2.930 40.711 ( 5.363 -4.496 -3.207) 7.698 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -6.798 3.197 -5.160) 9.113 2.267 ( 0.989 -4.768 1.602) 5.126 2.354 ( -0.009 1.086 -0.111) 1.092 2.635 ( -16.128 5.585 2.458) 17.244 4.510 ( -2.887 -10.191 -4.175) 11.385 4.697 ( -6.062 18.984 6.071) 20.833 6.062 ( -17.650 12.245 -4.186) 21.885 6.457 ( -0.057 24.518 0.024) 24.518 6.985 ( 11.768 -24.758 -1.946) 27.481 7.074 ( -4.493 17.259 1.756) 17.921 7.648 ( -27.635 -30.042 -3.893) 41.004 8.474 ( 20.820 -2.261 4.165) 21.352 9.483 ( -12.044 3.909 -0.307) 12.666 9.963 ( 11.424 20.575 -4.964) 24.052 10.551 ( 6.457 -11.497 1.085) 13.231 10.914 ( -1.477 12.037 0.339) 12.132 11.177 ( 9.604 -13.248 2.867) 16.612 12.273 ( -1.681 -7.935 1.888) 8.328 17.380 ( 1.902 1.141 -3.790) 4.391 17.744 ( 1.890 5.356 1.822) 5.965 18.160 ( -1.832 -7.975 1.162) 8.265 18.831 ( -2.203 1.902 0.350) 2.932 20.659 ( -2.761 -0.674 -0.399) 2.870 20.723 ( 2.131 0.551 0.419) 2.240 29.225 ( -1.959 -2.296 -0.343) 3.038 29.380 ( 8.793 0.526 -0.019) 8.809 36.174 ( -1.658 -0.387 0.101) 1.705 36.732 ( -2.695 6.901 1.833) 7.632 36.982 ( -8.763 0.603 -3.277) 9.376 40.830 ( 14.014 -3.961 1.254) 14.617 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -10.331 -1.008 -4.040) 11.139 2.215 ( -0.762 -7.772 -0.631) 7.835 2.331 ( -9.219 6.750 2.833) 11.771 2.446 ( -7.994 0.604 1.305) 8.122 4.287 ( -8.251 -11.600 -0.341) 14.239 4.778 ( -8.724 13.378 9.809) 18.742 5.744 ( -27.210 2.068 -4.850) 27.716 6.420 ( -18.512 -8.489 -3.529) 20.669 6.678 ( -17.709 2.940 -8.676) 19.939 7.165 ( -8.126 0.448 0.020) 8.139 7.490 ( 25.560 5.523 7.500) 27.205 8.579 ( -1.166 -0.848 0.894) 1.696 9.275 ( -19.689 0.498 -5.840) 20.543 10.202 ( 4.365 3.562 -0.591) 5.665 10.505 ( 5.365 -8.966 0.130) 10.449 11.098 ( -0.628 0.828 5.167) 5.271 11.370 ( 26.583 -0.891 -0.213) 26.599 12.280 ( 9.342 2.924 -0.305) 9.794 17.373 ( 0.146 0.725 -4.854) 4.910 17.768 ( -2.152 -6.606 -1.406) 7.089 18.108 ( -2.362 4.522 7.224) 8.844 18.828 ( 0.248 0.325 0.081) 0.416 20.606 ( -3.011 0.016 -0.318) 3.028 20.773 ( 3.364 0.209 0.049) 3.371 29.199 ( 0.404 -0.188 0.184) 0.482 29.551 ( 11.217 0.504 -1.229) 11.295 36.146 ( -1.180 -0.863 0.341) 1.501 36.683 ( -12.518 2.727 4.455) 13.563 36.837 ( -2.194 -1.779 -5.082) 5.814 41.071 ( 15.357 -0.218 0.748) 15.376 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -16.082 -1.644 -3.388) 16.517 2.030 ( -5.563 -19.063 5.758) 20.676 2.316 ( -4.859 10.071 1.899) 11.342 2.394 ( -0.988 0.606 2.152) 2.444 4.034 ( -8.686 -12.736 0.642) 15.429 4.733 ( -13.687 2.078 9.000) 16.512 5.176 ( -31.796 -3.774 -5.895) 32.557 5.900 ( -24.211 -2.928 -7.374) 25.477 6.482 ( -16.789 9.677 -4.258) 19.841 7.140 ( -10.323 19.612 0.959) 22.183 7.941 ( 12.933 5.999 10.614) 17.774 8.642 ( 10.442 4.373 -1.493) 11.419 8.719 ( -36.285 -5.671 -6.688) 37.329 10.284 ( 8.218 -9.306 2.534) 12.671 10.551 ( 11.425 -13.153 0.707) 17.437 11.047 ( 1.092 -9.853 3.263) 10.437 11.682 ( 5.338 7.324 -0.972) 9.115 12.716 ( 31.517 12.596 -5.792) 34.431 17.365 ( 0.751 0.684 -4.146) 4.269 17.593 ( -5.672 -9.110 -0.204) 10.733 18.177 ( -3.993 8.939 5.188) 11.080 18.836 ( 1.291 -2.205 1.289) 2.862 20.560 ( -2.930 0.660 0.793) 3.106 20.836 ( 4.344 -0.521 -0.010) 4.375 29.234 ( 2.812 1.275 -0.066) 3.088 29.733 ( 11.540 -0.471 -2.527) 11.823 36.122 ( -0.967 -1.318 1.592) 2.282 36.494 ( -9.047 -1.909 -0.657) 9.270 36.795 ( -1.664 -1.455 1.973) 2.963 41.292 ( 10.208 2.173 -4.811) 11.492 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -12.428 0.695 4.393) 13.200 1.802 ( -4.074 -14.934 5.409) 16.397 2.278 ( -5.084 0.123 2.046) 5.481 2.465 ( 2.524 3.010 3.396) 5.193 3.755 ( -10.722 -9.102 -3.136) 14.410 4.380 ( -21.549 -9.717 3.241) 23.859 4.800 ( -17.697 9.501 -4.142) 20.509 5.515 ( -26.739 16.787 -6.924) 32.322 6.175 ( -32.529 13.060 -1.415) 35.081 7.184 ( -9.262 21.374 3.003) 23.487 7.959 ( -34.230 -3.243 -4.289) 34.650 8.154 ( -6.258 6.010 11.390) 14.319 9.024 ( 21.528 8.926 2.046) 23.395 10.284 ( 13.850 -31.935 8.050) 35.728 10.656 ( 11.668 -3.037 -4.046) 12.718 11.050 ( 9.569 -8.868 1.467) 13.129 11.751 ( -3.435 7.717 -2.374) 8.774 13.271 ( 27.869 3.299 -13.983) 31.354 17.353 ( 0.901 -3.437 -1.111) 3.723 17.493 ( -0.864 2.025 -0.218) 2.213 18.148 ( -8.688 3.293 0.507) 9.305 18.843 ( 0.092 -1.350 2.846) 3.152 20.536 ( -2.130 1.053 3.466) 4.202 20.903 ( 4.759 -1.486 0.169) 4.989 29.298 ( 3.657 0.441 -1.008) 3.819 29.887 ( 10.364 -2.310 -3.532) 11.190 36.109 ( -0.665 -0.877 2.779) 2.989 36.387 ( -0.945 -0.996 -2.166) 2.565 36.761 ( -3.017 -1.722 5.982) 6.917 41.365 ( 1.698 2.052 -15.592) 15.818 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.713 12.618 9.236) 15.653 1.879 ( 0.741 3.281 1.718) 3.777 2.229 ( 4.701 5.566 3.596) 8.125 2.452 ( -6.098 -3.867 4.781) 8.660 3.672 ( -1.152 16.860 -14.202) 22.075 4.246 ( -10.380 11.254 -2.639) 15.536 4.609 ( -12.914 15.490 -2.021) 20.267 5.736 ( -22.752 26.578 -9.377) 36.221 6.040 ( -30.529 17.026 3.117) 35.094 7.276 ( -18.818 -3.946 3.941) 19.627 7.832 ( -7.448 18.436 8.425) 21.595 8.541 ( -14.534 17.535 9.429) 24.650 9.174 ( 5.098 -25.965 6.095) 27.154 10.127 ( 22.712 -3.335 4.447) 23.383 10.778 ( 15.964 2.530 -3.565) 16.552 11.074 ( 14.436 -8.888 0.685) 16.967 11.620 ( -11.653 -2.860 -11.303) 16.484 13.062 ( 14.958 -18.732 -7.559) 25.135 17.352 ( 2.396 4.048 -0.999) 4.809 17.710 ( 4.132 5.376 -0.419) 6.793 17.892 ( -13.545 -3.166 -3.354) 14.309 18.858 ( -1.777 0.437 0.930) 2.053 20.605 ( -0.730 -0.709 5.870) 5.958 20.906 ( 3.916 -3.681 0.416) 5.390 29.277 ( 1.886 -2.874 -1.016) 3.585 29.851 ( 7.525 -6.244 -3.931) 10.539 36.151 ( 0.343 1.396 1.474) 2.059 36.367 ( 0.093 -1.002 -1.044) 1.450 36.879 ( -0.283 4.078 8.170) 9.136 40.978 ( -8.520 5.083 -29.837) 31.443 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -19.676 -0.217 -4.443) 20.173 1.906 ( -2.274 5.962 0.411) 6.395 2.321 ( -3.996 -2.462 3.606) 5.919 2.476 ( 2.579 5.539 15.663) 16.813 3.827 ( 5.722 21.480 -19.117) 29.319 4.008 ( -16.107 -2.275 -2.239) 16.420 4.691 ( -16.828 34.418 -0.592) 38.316 5.545 ( -20.525 23.704 -4.947) 31.743 5.915 ( -13.265 38.924 -1.994) 41.171 7.100 ( -4.303 1.009 5.839) 7.323 7.954 ( 0.596 8.315 8.603) 11.979 8.458 ( -22.729 21.752 9.305) 32.808 9.090 ( 8.721 -20.734 6.595) 23.440 10.382 ( 16.016 -4.182 -4.685) 17.203 10.739 ( -19.527 -19.036 -2.815) 27.415 11.078 ( 1.788 -8.143 -4.605) 9.525 11.528 ( 7.998 -0.236 -3.359) 8.678 13.312 ( 36.182 -14.054 -1.589) 38.848 17.440 ( 2.097 6.870 -0.772) 7.224 17.572 ( -14.920 -3.321 -0.511) 15.294 17.867 ( 7.262 1.455 -3.156) 8.051 18.794 ( -7.036 2.695 -2.077) 7.815 20.614 ( -0.576 -1.359 6.210) 6.383 20.925 ( 2.874 -4.501 0.617) 5.376 29.294 ( 4.293 -3.850 0.115) 5.768 29.876 ( 5.787 -7.162 -4.392) 10.201 36.155 ( -3.554 -0.544 3.094) 4.743 36.314 ( -1.742 0.058 -3.737) 4.124 36.917 ( -5.456 1.832 6.662) 8.803 40.813 ( -1.888 15.496 -32.458) 36.017 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -11.371 -4.923 -8.701) 15.141 1.897 ( -6.828 6.089 6.375) 11.150 2.199 ( -10.354 -1.413 2.599) 10.768 2.592 ( -0.824 1.960 11.585) 11.779 3.703 ( -7.223 -6.888 -9.597) 13.846 3.974 ( -7.538 15.091 -8.475) 18.878 4.723 ( -5.030 28.295 -3.724) 28.979 5.500 ( -11.131 25.117 -8.716) 28.822 6.246 ( -3.748 46.089 1.478) 46.265 7.217 ( 8.305 12.838 4.287) 15.880 8.072 ( 3.035 0.189 7.781) 8.354 8.346 ( -21.990 25.683 8.727) 34.919 9.147 ( 11.921 -10.916 6.764) 17.523 10.010 ( -29.329 -31.755 -2.730) 43.313 10.574 ( 15.863 -4.812 -7.778) 18.311 10.964 ( -3.421 -9.750 -1.977) 10.520 11.689 ( 9.672 5.119 -1.930) 11.112 13.729 ( 24.604 -17.788 0.598) 30.367 17.348 ( -5.903 -4.001 0.417) 7.143 17.510 ( -1.368 6.477 -3.256) 7.377 17.972 ( 5.367 1.279 -3.063) 6.311 18.694 ( -6.619 4.790 -1.189) 8.256 20.626 ( -0.365 -0.843 5.619) 5.694 20.920 ( 1.480 -4.921 0.761) 5.194 29.333 ( 4.082 -3.730 0.488) 5.551 29.853 ( 2.315 -7.563 -4.732) 9.217 36.056 ( -5.944 -0.791 0.500) 6.017 36.329 ( 3.530 1.248 -1.979) 4.235 36.789 ( -11.530 -2.560 5.038) 12.841 40.881 ( 5.030 22.289 -28.426) 36.471 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 14.880 -4.364 -1.032) 15.541 1.876 ( -6.851 3.506 10.945) 13.379 2.081 ( -0.863 3.142 -0.099) 3.260 2.661 ( 3.918 -0.497 8.144) 9.051 3.515 ( 2.600 -12.207 -15.208) 19.674 3.944 ( -2.063 10.514 -3.379) 11.235 4.974 ( 4.454 19.645 -2.344) 20.280 5.589 ( -2.455 31.675 -13.533) 34.532 6.493 ( -8.529 23.752 4.362) 25.611 7.590 ( 4.666 24.461 1.919) 24.976 8.152 ( -3.740 17.368 8.023) 19.494 8.374 ( -0.314 10.393 6.794) 12.420 9.122 ( -21.396 -16.672 -0.202) 27.125 9.452 ( 12.094 -20.221 6.403) 24.416 10.628 ( 1.337 -12.685 -7.548) 14.821 10.896 ( 9.909 -5.534 -0.941) 11.389 11.912 ( 7.889 11.500 -1.141) 13.992 13.642 ( -11.520 -23.183 -0.419) 25.891 17.315 ( 0.815 -1.404 0.040) 1.624 17.493 ( 1.442 1.206 -4.872) 5.222 18.031 ( 2.143 1.633 -3.535) 4.444 18.695 ( -0.400 6.365 2.396) 6.813 20.644 ( -0.169 0.023 4.565) 4.568 20.889 ( -0.017 -4.772 0.696) 4.823 29.350 ( 0.924 -2.096 0.425) 2.329 29.754 ( -2.392 -7.801 -4.720) 9.426 36.012 ( 1.056 1.557 -0.912) 2.091 36.408 ( 6.893 -2.395 0.377) 7.307 36.611 ( -8.585 -1.464 3.669) 9.450 41.027 ( 1.356 20.120 -21.887) 29.761 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 27.790 -2.230 6.341) 28.592 1.886 ( -1.436 3.951 9.227) 10.140 2.214 ( 6.771 6.068 1.427) 9.203 2.821 ( 10.443 -0.422 8.783) 13.652 3.432 ( 15.422 -14.105 -19.275) 28.431 4.112 ( 13.031 7.426 -3.155) 15.326 5.224 ( 9.959 15.769 -0.003) 18.651 5.860 ( 4.424 31.672 -13.142) 34.575 6.523 ( -8.865 10.910 4.180) 14.666 7.674 ( -18.868 23.789 2.446) 30.461 8.253 ( -10.451 -17.638 7.817) 21.941 8.565 ( 11.601 -0.758 3.407) 12.115 8.728 ( -4.218 19.546 -0.716) 20.009 9.658 ( 18.933 -10.672 6.038) 22.557 10.440 ( -1.429 -13.005 -5.380) 14.146 11.055 ( 13.070 -5.208 -0.897) 14.098 12.114 ( -0.414 15.193 -1.495) 15.272 13.004 ( -33.898 -22.936 0.465) 40.931 17.225 ( -6.657 0.891 -4.190) 7.916 17.636 ( 13.526 -2.349 0.105) 13.728 18.051 ( 1.548 1.297 -4.007) 4.487 18.782 ( 1.508 4.643 3.333) 5.911 20.664 ( -0.193 0.535 3.283) 3.332 20.840 ( -1.103 -3.878 0.452) 4.057 29.326 ( -2.869 -0.108 0.730) 2.963 29.595 ( -4.758 -7.013 -4.109) 9.418 36.100 ( 6.845 1.701 -0.635) 7.082 36.490 ( 1.888 0.605 1.246) 2.342 36.572 ( 6.827 -3.217 2.698) 8.015 41.044 ( -7.367 13.236 -15.261) 21.503 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 17.242 -2.858 6.614) 18.687 1.992 ( 3.836 6.202 3.807) 8.226 2.319 ( 0.693 0.120 0.229) 0.740 3.023 ( 3.310 3.710 10.200) 11.347 3.631 ( 33.269 -8.613 -17.072) 38.373 4.409 ( 14.626 5.290 -1.996) 15.681 5.715 ( 28.262 19.891 0.177) 34.560 6.165 ( 10.696 18.201 -5.807) 21.895 6.486 ( -7.296 7.823 1.659) 10.825 7.569 ( -20.636 20.108 2.470) 28.919 7.767 ( -16.832 -23.296 3.449) 28.947 8.716 ( 3.810 -2.538 2.819) 5.376 8.995 ( 5.459 17.175 -3.265) 18.315 9.874 ( 17.807 -14.720 5.345) 23.714 10.357 ( 3.960 -1.841 -3.540) 5.622 11.179 ( 8.330 -6.406 -0.016) 10.508 11.901 ( -39.639 -1.684 -2.128) 39.732 12.451 ( -8.429 -2.998 2.525) 9.296 17.159 ( -0.542 3.500 -2.661) 4.430 17.771 ( 3.818 -2.489 0.918) 4.649 18.089 ( 5.504 -1.247 -3.803) 6.805 18.845 ( 0.813 1.736 2.019) 2.784 20.679 ( -0.270 0.627 1.971) 2.086 20.788 ( -1.684 -2.452 0.215) 2.983 29.270 ( -4.069 0.283 1.036) 4.208 29.445 ( -4.346 -4.321 -2.701) 6.697 36.208 ( 4.447 -1.193 1.017) 4.715 36.546 ( 1.401 8.013 -2.605) 8.542 36.759 ( 16.809 -5.117 4.198) 18.065 40.895 ( -12.659 5.320 -9.002) 16.419 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 7.304 -3.187 3.649) 8.765 2.135 ( 3.059 5.810 0.003) 6.566 2.280 ( 0.605 -4.600 -1.457) 4.863 3.066 ( -7.044 3.850 5.422) 9.687 4.073 ( 30.927 -4.666 -9.879) 32.800 4.651 ( 9.337 5.076 1.607) 10.748 6.228 ( 4.217 24.761 -2.146) 25.209 6.409 ( -2.301 1.936 -1.982) 3.601 6.776 ( 39.457 7.249 6.567) 40.652 7.244 ( -7.534 -22.574 1.300) 23.834 7.579 ( -14.497 27.325 0.556) 30.937 8.493 ( -18.089 -20.285 -2.727) 27.315 9.269 ( 14.486 11.994 -3.543) 19.138 10.018 ( 13.099 -14.936 6.195) 20.810 10.409 ( -5.072 6.809 -3.567) 9.209 11.191 ( -1.909 -5.453 0.776) 5.830 11.237 ( -25.107 -2.094 1.514) 25.239 12.363 ( -5.585 -0.500 -0.230) 5.612 17.246 ( 4.815 6.733 -0.104) 8.278 17.754 ( -1.625 -2.366 0.337) 2.890 18.128 ( 3.605 -4.658 -2.714) 6.486 18.871 ( 0.399 0.285 0.618) 0.788 20.690 ( 0.041 0.546 0.901) 1.055 20.741 ( -2.094 -1.056 0.023) 2.345 29.231 ( -0.494 -0.209 0.655) 0.847 29.340 ( -4.262 -1.141 -0.930) 4.509 36.230 ( -0.293 -1.157 0.891) 1.489 36.647 ( 4.847 3.590 -2.180) 6.414 37.012 ( 11.587 1.010 2.338) 11.863 40.695 ( -8.377 -0.460 -3.452) 9.072 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -4.349 -0.971 -3.314) 5.553 2.175 ( 2.830 -6.618 3.886) 8.179 2.343 ( 4.760 3.904 0.404) 6.170 2.929 ( -13.586 1.248 -0.308) 13.646 4.336 ( 10.894 -8.391 -3.272) 14.135 4.843 ( 6.967 3.700 3.641) 8.688 6.329 ( -7.408 1.685 -3.690) 8.446 6.517 ( 8.927 14.839 2.437) 17.488 6.791 ( -8.710 -12.669 0.530) 15.383 7.488 ( -9.043 28.380 -0.628) 29.792 7.800 ( -13.344 -29.809 -0.709) 32.667 7.908 ( 27.477 2.062 1.287) 27.584 9.558 ( 7.934 -2.226 -0.346) 8.247 10.066 ( -6.778 8.938 2.119) 11.416 10.304 ( 4.388 0.098 -2.429) 5.016 11.069 ( -6.200 -0.256 -1.582) 6.403 11.090 ( -1.621 -1.932 2.226) 3.364 12.257 ( -3.488 -3.145 -0.103) 4.698 17.373 ( 1.396 4.944 0.153) 5.140 17.732 ( 1.651 -0.935 -0.377) 1.935 18.108 ( 1.891 -4.662 0.270) 5.038 18.867 ( -1.107 -0.318 -0.047) 1.152 20.696 ( -2.030 -0.287 0.296) 2.071 20.705 ( 0.428 0.652 -0.294) 0.834 29.267 ( 4.582 0.139 -0.123) 4.585 29.268 ( -3.858 0.773 0.123) 3.937 36.204 ( -1.942 -0.265 -0.003) 1.960 36.737 ( 4.719 -0.681 0.001) 4.768 37.108 ( -3.328 1.159 0.002) 3.524 40.642 ( 4.807 -0.591 -0.000) 4.843 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -7.166 -3.686 3.431) 8.758 2.139 ( 0.258 -8.454 1.387) 8.571 2.443 ( 0.985 5.254 1.050) 5.447 2.665 ( -15.730 -1.058 -4.272) 16.334 4.269 ( -3.647 -13.481 2.558) 14.198 4.962 ( 1.675 0.012 4.504) 4.805 6.097 ( -19.561 -3.114 -6.072) 20.717 6.485 ( -6.864 -13.491 -3.588) 15.556 6.847 ( -8.850 -2.923 -2.423) 9.630 7.112 ( 5.358 -3.732 5.618) 8.613 7.711 ( -12.088 35.929 1.031) 37.922 8.445 ( 20.859 -3.857 1.008) 21.237 9.454 ( -7.232 -8.046 2.106) 11.022 9.998 ( -1.195 -11.227 -2.667) 11.601 10.526 ( 0.633 7.895 -1.019) 7.986 10.977 ( 6.673 -6.371 -2.463) 9.549 11.163 ( 8.352 11.855 0.344) 14.506 12.237 ( 1.963 2.901 1.411) 3.777 17.382 ( -2.157 1.674 -1.273) 3.012 17.720 ( -0.631 -5.700 -2.347) 6.196 18.171 ( 4.547 4.210 5.412) 8.227 18.829 ( -1.720 -2.207 -0.232) 2.808 20.656 ( -2.770 0.584 -0.054) 2.831 20.729 ( 1.966 0.072 -0.361) 2.000 29.230 ( -2.647 2.637 0.617) 3.787 29.380 ( 8.786 0.163 -1.338) 8.889 36.169 ( -1.934 -0.122 0.164) 1.945 36.779 ( 2.626 -5.036 -0.309) 5.688 36.942 ( -13.939 -1.690 1.249) 14.097 40.827 ( 14.440 3.307 -0.556) 14.825 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -10.462 -10.744 6.429) 16.317 2.007 ( -9.048 -10.439 3.236) 14.189 2.430 ( -5.046 -1.920 -2.984) 6.169 2.482 ( -3.594 5.763 1.524) 6.961 4.059 ( -7.513 -12.212 3.602) 14.784 4.900 ( -7.160 -11.527 5.204) 14.533 5.537 ( -25.846 -15.267 -8.415) 31.176 6.207 ( -15.871 7.867 -6.520) 18.875 6.642 ( -4.599 -1.271 -0.807) 4.839 7.521 ( 11.118 18.836 7.366) 23.079 7.898 ( -2.302 28.337 4.491) 28.783 8.578 ( 3.659 -0.704 1.525) 4.027 9.163 ( -24.350 -4.739 -7.479) 25.909 9.829 ( 10.134 -34.702 3.626) 36.333 10.487 ( -3.000 3.652 -2.722) 5.454 10.931 ( 1.958 -14.697 2.993) 15.126 11.630 ( 15.396 22.799 -6.404) 28.246 12.432 ( 15.022 9.283 1.095) 17.693 17.352 ( -1.357 -0.763 -0.866) 1.781 17.604 ( -3.941 -4.529 -2.642) 6.559 18.324 ( 0.791 8.447 4.796) 9.746 18.779 ( 0.716 -5.719 1.041) 5.857 20.618 ( -2.742 1.054 0.562) 2.991 20.767 ( 3.119 -0.697 -0.412) 3.222 29.238 ( -0.543 3.729 0.414) 3.791 29.531 ( 10.439 -0.482 -2.498) 10.745 36.142 ( -1.490 -0.369 1.207) 1.953 36.598 ( -9.813 -10.105 -4.217) 14.703 36.834 ( -2.641 -0.250 6.918) 7.409 41.101 ( 13.301 5.274 -5.017) 15.162 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -10.706 -7.989 4.118) 13.979 1.746 ( -6.386 -14.517 9.631) 18.555 2.360 ( -3.302 -3.626 0.267) 4.911 2.500 ( -1.181 5.745 1.991) 6.194 3.841 ( -9.364 -4.565 -1.445) 10.517 4.569 ( -14.104 -16.873 4.167) 22.382 5.089 ( -15.319 -0.749 -7.812) 17.212 6.040 ( -18.814 22.165 -7.609) 30.053 6.550 ( -9.216 2.233 1.217) 9.560 7.726 ( -15.861 31.045 3.531) 35.040 8.245 ( 10.190 10.801 13.136) 19.826 8.506 ( -36.414 -10.166 -4.712) 38.099 8.785 ( 16.959 11.196 0.802) 20.337 9.696 ( 13.852 -41.783 6.092) 44.439 10.501 ( 3.916 0.982 -6.502) 7.654 10.867 ( 4.015 -9.562 2.415) 10.648 11.875 ( -1.531 14.238 -6.081) 15.558 12.842 ( 22.374 3.684 -4.712) 23.160 17.309 ( -0.465 -4.082 0.890) 4.204 17.537 ( -1.435 4.024 -3.053) 5.251 18.338 ( -8.720 5.167 -0.773) 10.165 18.784 ( 4.773 -5.708 4.849) 8.882 20.595 ( -2.073 1.178 2.192) 3.239 20.814 ( 4.070 -1.652 -0.195) 4.397 29.273 ( 0.440 2.663 -0.529) 2.750 29.676 ( 10.119 -2.158 -3.286) 10.856 36.127 ( -0.923 -0.256 1.918) 2.144 36.378 ( -3.545 -6.435 -2.712) 7.832 36.827 ( -2.127 -0.944 7.833) 8.172 41.261 ( 5.189 3.710 -12.404) 13.948 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 15.414 10.803 -2.678) 19.012 2.063 ( -4.108 8.715 11.723) 15.174 2.234 ( 5.360 6.033 2.068) 8.331 2.531 ( -4.781 -1.865 2.329) 5.636 3.820 ( -5.440 15.155 -12.052) 20.113 4.432 ( -2.124 9.054 -0.693) 9.325 4.923 ( -6.367 17.057 -0.467) 18.213 6.266 ( -19.066 22.923 -12.754) 32.429 6.499 ( -12.351 3.017 5.430) 13.825 7.656 ( -29.238 -4.233 3.929) 29.803 8.102 ( -5.689 -7.366 8.394) 12.533 8.694 ( 10.129 -8.633 4.602) 14.082 9.034 ( -5.498 6.549 2.021) 8.786 9.799 ( 26.604 11.777 7.446) 30.032 10.505 ( 13.875 2.856 -1.789) 14.279 10.819 ( 8.548 -3.450 -3.386) 9.820 11.759 ( -17.128 -6.140 -10.751) 21.134 12.708 ( 5.006 -19.015 0.710) 19.676 17.345 ( 3.292 5.885 -2.031) 7.043 17.653 ( 4.011 0.367 0.078) 4.029 18.131 ( -16.293 1.686 -4.981) 17.120 18.831 ( 4.561 -2.857 4.111) 6.772 20.642 ( -1.098 0.352 3.517) 3.701 20.809 ( 3.847 -3.125 0.046) 4.956 29.260 ( -2.553 -0.817 -0.582) 2.743 29.649 ( 7.216 -6.408 -2.977) 10.100 36.162 ( 0.740 2.133 0.144) 2.262 36.353 ( 2.801 3.080 0.581) 4.204 36.935 ( 1.621 2.307 5.823) 6.470 41.010 ( -7.990 -0.840 -17.262) 19.040 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -15.469 -1.631 -3.053) 15.851 1.909 ( 7.724 12.550 -3.412) 15.126 2.393 ( -5.463 -0.868 3.148) 6.365 2.581 ( 5.138 8.081 17.473) 19.925 3.885 ( 0.783 21.492 -16.968) 27.394 4.259 ( -18.336 -1.203 -1.872) 18.470 5.219 ( -1.308 39.777 -0.029) 39.799 6.104 ( -22.912 22.461 -8.556) 33.207 6.372 ( -9.814 17.529 0.418) 20.094 7.260 ( -15.516 -3.746 6.972) 17.418 7.986 ( 0.414 -16.138 8.806) 18.389 8.746 ( 8.310 -13.000 3.892) 15.912 9.052 ( -11.194 20.731 3.514) 23.821 10.142 ( 8.799 3.787 -1.662) 9.722 10.790 ( 1.278 -11.517 5.699) 12.913 10.923 ( 7.756 0.490 -3.474) 8.513 11.375 ( -1.352 -7.604 -12.560) 14.744 12.697 ( 18.255 -16.430 3.145) 24.760 17.462 ( 3.339 8.304 -1.854) 9.140 17.725 ( 4.167 -3.548 -2.757) 6.128 17.841 ( -15.480 1.952 -0.943) 15.631 18.861 ( -0.612 -0.929 0.889) 1.424 20.647 ( -0.843 -0.021 3.951) 4.040 20.836 ( 3.279 -3.730 0.225) 4.971 29.225 ( 0.414 -1.856 0.012) 1.901 29.681 ( 6.737 -7.379 -3.516) 10.592 36.194 ( 0.108 0.854 2.021) 2.197 36.371 ( -3.981 3.547 -2.072) 5.721 37.022 ( -0.205 2.764 6.130) 6.728 40.810 ( -3.618 4.203 -20.571) 21.305 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -23.137 2.809 0.246) 23.308 2.043 ( -2.154 6.736 -2.397) 7.467 2.298 ( -4.668 -3.230 2.136) 6.065 2.762 ( -3.016 6.339 15.976) 17.451 3.788 ( -16.651 -4.632 -12.636) 21.410 4.142 ( -1.690 18.142 -7.619) 19.749 5.291 ( -26.212 27.194 -0.724) 37.777 5.876 ( -17.189 18.292 -8.504) 26.502 6.644 ( 2.218 33.878 -0.095) 33.951 7.213 ( 6.521 8.964 5.360) 12.313 7.921 ( 8.305 -20.616 8.930) 23.953 8.789 ( 5.408 -7.226 3.960) 9.856 9.087 ( -11.478 23.211 5.468) 26.465 10.238 ( -30.815 -27.617 -1.790) 41.418 10.288 ( 9.141 0.484 -4.806) 10.339 10.934 ( -2.942 -5.442 -1.175) 6.297 11.516 ( 15.156 4.567 -5.948) 16.910 13.054 ( 34.573 -15.081 4.630) 38.002 17.484 ( -12.727 -5.195 1.120) 13.792 17.584 ( -0.632 10.134 -7.278) 12.493 17.864 ( 5.980 0.351 0.826) 6.046 18.812 ( -4.402 0.620 0.090) 4.446 20.656 ( -0.525 0.251 3.822) 3.866 20.848 ( 2.347 -3.963 0.367) 4.620 29.240 ( 3.350 -1.827 0.300) 3.828 29.694 ( 5.357 -7.318 -3.780) 9.825 36.160 ( -5.818 -1.523 2.585) 6.546 36.336 ( -2.053 5.935 -3.713) 7.295 36.970 ( -9.832 -3.064 5.772) 11.806 40.818 ( 7.137 12.190 -19.532) 24.105 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -17.130 8.647 8.833) 21.124 2.014 ( -4.256 3.839 -0.901) 5.802 2.183 ( -6.785 -1.684 0.712) 7.027 2.763 ( -8.993 2.374 11.877) 15.085 3.395 ( -11.653 -10.831 -15.029) 21.886 4.122 ( -10.063 7.364 -4.405) 13.224 5.190 ( -10.682 22.065 -2.189) 24.612 5.842 ( -4.307 22.270 -10.661) 25.063 6.797 ( -6.399 9.604 3.098) 11.949 7.673 ( 13.827 29.164 2.551) 32.377 7.981 ( 16.246 -16.937 7.129) 24.528 8.799 ( -5.978 6.127 3.253) 9.157 9.196 ( -1.443 12.424 7.513) 14.590 9.451 ( -30.022 -21.361 -0.037) 36.846 10.391 ( 7.964 -6.674 -6.869) 12.456 10.783 ( -3.470 -6.732 -0.329) 7.581 11.833 ( 15.361 13.443 -3.938) 20.789 13.361 ( 17.098 -22.451 2.733) 28.352 17.291 ( -3.894 -2.838 0.843) 4.892 17.577 ( -6.385 5.524 -6.793) 10.836 17.961 ( 4.837 0.112 -0.732) 4.893 18.778 ( -1.789 3.463 2.227) 4.489 20.673 ( -0.248 0.748 3.255) 3.349 20.841 ( 1.100 -3.773 0.454) 3.956 29.293 ( 3.934 -0.622 0.209) 3.988 29.667 ( 1.693 -7.214 -3.650) 8.260 36.059 ( -5.020 0.986 0.045) 5.116 36.355 ( -0.313 3.008 -1.384) 3.326 36.760 ( -10.951 -5.632 4.730) 13.192 41.012 ( 9.035 14.314 -15.354) 22.853 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 5.954 5.017 11.572) 13.947 1.988 ( -3.020 1.249 3.282) 4.631 2.167 ( 5.032 6.500 1.216) 8.309 2.715 ( -0.158 -3.331 6.483) 7.290 3.081 ( -0.482 -12.755 -17.341) 21.532 4.060 ( -0.659 4.438 -1.469) 4.721 5.255 ( 0.023 10.705 -0.804) 10.735 6.028 ( 2.828 26.155 -10.139) 28.193 6.749 ( -7.614 3.746 2.688) 8.901 7.999 ( 6.563 1.230 2.842) 7.257 8.142 ( 3.541 -6.197 4.416) 8.393 8.645 ( -16.163 0.036 1.311) 16.216 9.046 ( -7.561 18.097 -0.258) 19.615 9.388 ( 7.194 0.440 9.678) 12.067 10.302 ( 0.052 -13.863 -5.426) 14.888 10.787 ( 9.020 -4.335 -1.477) 10.116 12.205 ( 10.039 21.089 -2.344) 23.474 13.163 ( -12.291 -27.038 1.046) 29.719 17.298 ( 1.026 -0.582 0.341) 1.228 17.465 ( -1.331 0.940 -4.356) 4.651 18.011 ( 2.099 0.043 -2.438) 3.217 18.828 ( 0.630 3.835 3.249) 5.066 20.692 ( -0.280 0.994 2.317) 2.537 20.819 ( -0.077 -2.931 0.382) 2.957 29.347 ( 1.482 1.249 0.409) 1.981 29.575 ( -2.456 -6.478 -3.062) 7.574 36.043 ( 1.358 2.139 -0.567) 2.596 36.364 ( 2.707 -2.463 0.446) 3.687 36.618 ( -4.278 -1.193 2.703) 5.199 41.157 ( 0.702 10.399 -10.218) 14.596 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 22.692 0.088 6.797) 23.688 2.009 ( 1.824 2.700 2.867) 4.340 2.317 ( 0.306 0.317 0.725) 0.849 2.861 ( 22.826 -1.728 2.990) 23.086 3.036 ( 14.085 -6.244 -10.392) 18.584 4.177 ( 11.780 2.139 -1.276) 12.041 5.439 ( 14.802 5.469 2.032) 15.910 6.236 ( 1.813 12.120 -3.469) 12.737 6.683 ( -6.385 9.609 -2.461) 11.797 7.758 ( -15.440 -23.470 2.947) 28.247 8.178 ( -9.712 22.993 0.496) 24.964 8.577 ( 3.864 -2.876 0.014) 4.817 9.169 ( -4.433 15.324 -1.160) 15.994 9.546 ( 10.562 -7.489 9.720) 16.190 10.222 ( 6.743 -4.187 -3.708) 8.761 10.900 ( 12.066 -8.996 -1.564) 15.132 12.415 ( -19.040 8.002 -2.158) 20.766 12.613 ( -13.632 -9.033 1.567) 16.428 17.219 ( -4.732 2.223 -2.695) 5.882 17.602 ( 12.365 -2.342 2.195) 12.774 18.013 ( 0.768 -0.545 -3.567) 3.689 18.869 ( -0.387 1.043 1.913) 2.213 20.703 ( -0.546 0.787 1.186) 1.525 20.791 ( -0.860 -1.430 0.187) 1.679 29.347 ( -3.634 0.315 0.652) 3.705 29.464 ( -2.903 -2.192 -1.724) 4.025 36.112 ( 5.114 -0.233 -0.115) 5.121 36.466 ( 12.759 -4.208 2.237) 13.620 36.596 ( -0.596 4.073 -0.632) 4.165 41.110 ( -9.950 4.232 -4.991) 11.909 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 14.029 -3.888 -0.530) 14.567 2.121 ( 6.101 4.484 0.664) 7.601 2.237 ( -2.241 -6.493 -0.696) 6.904 3.128 ( 4.281 -1.332 1.506) 4.730 3.429 ( 36.433 1.108 -3.237) 36.593 4.439 ( 16.958 -1.665 1.386) 17.095 5.933 ( 39.985 -0.071 3.769) 40.162 6.250 ( 0.540 -10.471 5.424) 11.804 6.739 ( -2.926 23.099 -8.271) 24.709 7.311 ( -18.406 -10.443 0.106) 21.162 8.178 ( -17.923 23.376 0.090) 29.456 8.491 ( -6.776 -19.499 -0.519) 20.649 9.210 ( 2.319 10.877 -2.983) 11.515 9.726 ( 13.766 -5.977 8.098) 17.054 10.383 ( 10.567 4.249 -2.773) 11.722 10.987 ( 11.174 -11.131 -1.299) 15.825 11.759 ( -36.216 -11.886 3.914) 38.318 12.573 ( -12.483 13.526 -3.735) 18.781 17.242 ( 3.548 6.076 0.176) 7.038 17.722 ( 3.186 -4.755 3.703) 6.817 18.010 ( 3.037 -2.085 -4.875) 6.110 18.866 ( -0.078 -0.950 0.371) 1.023 20.702 ( -0.519 0.391 0.163) 0.670 20.766 ( -1.527 0.072 0.004) 1.529 29.263 ( -3.901 -1.774 -0.085) 4.287 29.419 ( -3.945 2.967 0.484) 4.960 36.186 ( 4.353 -1.305 -0.078) 4.545 36.563 ( 4.637 -5.988 1.799) 7.785 36.797 ( 15.769 7.543 -1.624) 17.556 40.892 ( -14.985 -0.842 -0.240) 15.011 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 7.311 -5.688 -5.118) 10.582 2.159 ( -1.853 -6.445 5.548) 8.703 2.285 ( 7.016 6.053 -1.102) 9.331 3.079 ( -6.262 -3.361 -3.995) 8.153 3.964 ( 25.953 -1.407 0.479) 25.995 4.645 ( 12.522 -9.520 4.079) 16.250 6.160 ( 5.821 -18.488 5.223) 20.074 6.645 ( 28.349 -6.511 1.678) 29.135 6.910 ( -10.929 29.048 -6.722) 31.756 7.077 ( 17.383 0.106 1.244) 17.427 7.798 ( -23.388 -32.567 -4.130) 40.307 8.256 ( -16.161 21.644 3.320) 27.215 9.388 ( 7.129 2.097 -0.670) 7.461 10.009 ( 16.523 9.229 4.628) 19.483 10.475 ( -4.580 1.743 -3.688) 6.133 11.031 ( 4.376 -8.006 -2.062) 9.354 11.222 ( -18.805 -3.818 5.555) 19.977 12.395 ( -14.663 6.017 -4.797) 16.560 17.406 ( 4.294 7.811 2.943) 9.387 17.693 ( -0.504 -4.828 1.726) 5.152 18.007 ( 3.559 -4.432 -3.204) 6.525 18.864 ( 0.527 -0.797 -0.338) 1.014 20.699 ( 0.020 0.136 -0.535) 0.552 20.740 ( -2.190 1.025 -0.134) 2.422 29.218 ( 0.424 -0.737 -0.441) 0.958 29.380 ( -5.497 4.280 1.369) 7.100 36.218 ( 0.441 0.095 -1.019) 1.114 36.603 ( 6.635 -7.065 1.971) 9.890 37.075 ( 8.991 4.163 -1.876) 10.084 40.676 ( -8.115 -1.177 3.069) 8.755 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 1.232 -2.494 1.949) 3.397 2.056 ( -2.125 -11.045 4.354) 12.060 2.440 ( 5.350 5.335 -1.272) 7.662 2.846 ( -12.592 -4.978 -7.724) 15.589 4.172 ( 4.107 -10.888 6.019) 13.102 4.769 ( 14.089 -11.900 0.939) 18.466 6.085 ( 0.403 -22.167 2.762) 22.342 6.609 ( -9.354 0.429 -3.116) 9.869 6.984 ( -18.119 -21.385 -1.055) 28.048 7.102 ( -0.611 16.614 -1.985) 16.743 7.766 ( 40.648 -3.433 1.266) 40.813 8.288 ( -9.114 25.477 1.097) 27.080 9.398 ( -0.209 -11.816 3.607) 12.356 10.196 ( -20.504 0.274 -1.156) 20.538 10.484 ( 13.835 15.699 -1.003) 20.949 10.964 ( -9.871 -6.361 -3.479) 12.248 11.084 ( 8.486 2.182 1.772) 8.939 12.275 ( -2.787 5.824 -1.799) 6.702 17.463 ( -4.531 1.576 4.177) 6.361 17.663 ( 0.509 -3.314 -3.470) 4.826 18.087 ( 10.146 -0.021 2.726) 10.506 18.843 ( -2.071 -1.135 -0.978) 2.556 20.701 ( 0.297 -0.039 -0.447) 0.538 20.712 ( -2.133 1.475 -0.652) 2.674 29.258 ( 5.066 -0.025 -1.059) 5.176 29.341 ( -5.286 5.312 1.605) 7.664 36.202 ( -1.695 0.551 -1.002) 2.045 36.645 ( 5.376 -8.925 1.409) 10.514 37.098 ( -6.038 -1.774 -0.821) 6.346 40.690 ( 6.372 3.632 3.274) 8.031 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -8.849 -21.596 8.370) 24.794 2.108 ( -0.717 2.039 4.230) 4.750 2.510 ( -12.763 -6.135 -8.732) 16.637 2.543 ( 1.111 2.533 -1.240) 3.031 4.069 ( -3.614 -12.584 7.981) 15.333 4.817 ( 3.253 -14.455 0.610) 14.829 5.624 ( -16.648 -30.609 -5.176) 35.226 6.505 ( -8.765 12.162 -5.846) 16.091 6.672 ( -1.315 -5.988 4.654) 7.697 7.434 ( 11.844 19.680 4.779) 23.461 8.227 ( 16.058 2.798 1.446) 16.364 8.434 ( 1.511 14.142 -2.198) 14.391 9.259 ( -3.100 -12.964 3.968) 13.907 9.740 ( -25.979 -9.858 -6.402) 28.514 10.607 ( -9.794 -0.023 -1.380) 9.891 10.739 ( 5.049 -13.135 0.691) 14.089 11.536 ( 21.582 25.051 -2.263) 33.143 12.363 ( 4.479 7.291 0.964) 8.611 17.393 ( -4.671 -3.313 3.940) 6.951 17.604 ( -1.550 -0.391 -4.995) 5.245 18.314 ( 10.744 3.028 5.790) 12.575 18.761 ( -4.391 -2.821 -1.882) 5.548 20.679 ( -2.877 1.697 0.307) 3.354 20.716 ( 1.759 -0.578 -1.216) 2.215 29.325 ( -3.150 5.259 1.347) 6.276 29.364 ( 7.327 0.492 -1.682) 7.534 36.173 ( -1.750 0.157 0.083) 1.759 36.570 ( -3.045 -12.679 -1.914) 13.179 36.944 ( -7.140 -1.740 3.408) 8.100 40.927 ( 12.507 6.711 0.073) 14.194 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -4.148 -19.862 7.318) 21.570 1.918 ( -18.311 -7.949 2.905) 20.172 2.330 ( 1.262 -3.139 -2.295) 4.088 2.584 ( -0.946 3.427 1.074) 3.714 3.946 ( -5.725 -2.460 2.737) 6.806 4.583 ( -7.818 -19.938 2.528) 21.565 5.200 ( -8.049 -8.737 -6.598) 13.588 6.468 ( -11.147 21.011 -8.425) 25.233 6.667 ( -2.482 0.183 5.482) 6.021 7.879 ( 19.149 8.540 9.515) 23.025 8.438 ( -8.279 18.538 3.255) 20.562 8.570 ( 15.361 -1.567 0.591) 15.452 8.959 ( -27.114 -8.114 -7.311) 29.231 9.275 ( -1.742 -19.203 1.189) 19.319 10.450 ( -2.302 -4.293 -3.794) 6.175 10.742 ( 3.449 -6.409 2.604) 7.730 11.992 ( 5.411 20.319 -6.116) 21.899 12.557 ( 12.891 1.059 2.109) 13.105 17.305 ( -2.666 -4.346 2.654) 5.748 17.577 ( -0.939 3.809 -3.875) 5.514 18.489 ( -0.430 5.495 0.988) 5.599 18.662 ( 1.611 -7.074 2.166) 7.572 20.653 ( -2.475 1.607 1.112) 3.153 20.739 ( 2.796 -1.437 -0.863) 3.260 29.331 ( -2.991 4.835 0.595) 5.717 29.486 ( 8.733 -1.632 -2.189) 9.149 36.153 ( -1.140 0.201 0.872) 1.449 36.355 ( -4.847 -9.698 -2.177) 11.058 36.889 ( -2.141 -0.742 5.195) 5.667 41.150 ( 7.488 4.838 -5.208) 10.324 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 8.903 17.155 -5.800) 20.179 2.126 ( 18.380 12.662 7.244) 23.465 2.245 ( -5.708 0.739 0.646) 5.792 2.591 ( -3.035 -1.791 0.560) 3.568 3.960 ( -2.213 8.373 -8.286) 11.986 4.516 ( 4.490 15.102 0.063) 15.755 5.131 ( -0.093 13.689 2.741) 13.961 6.623 ( -6.208 -0.346 1.417) 6.377 6.636 ( -6.090 4.950 -6.187) 9.994 7.882 ( 2.278 -24.563 1.640) 24.723 8.149 ( -28.196 0.554 2.553) 28.317 8.625 ( 0.750 -0.968 1.143) 1.675 9.108 ( 4.825 6.532 -0.958) 8.177 9.470 ( 31.247 11.953 6.287) 34.041 10.431 ( 3.843 8.209 0.839) 9.103 10.696 ( 0.973 -1.157 -2.538) 2.954 11.942 ( -18.610 -12.848 -3.995) 22.964 12.519 ( 0.994 -10.605 1.822) 10.806 17.329 ( 3.843 5.770 -3.186) 7.630 17.606 ( 1.192 -2.685 2.585) 3.913 18.375 ( -13.484 3.241 -7.245) 15.646 18.720 ( 7.619 -2.785 5.494) 9.798 20.685 ( -1.653 0.986 1.924) 2.722 20.723 ( 3.248 -2.339 -0.390) 4.021 29.335 ( -6.270 0.812 0.584) 6.350 29.468 ( 5.630 -6.135 -1.687) 8.496 36.167 ( 0.675 1.119 -0.279) 1.336 36.343 ( 4.925 7.645 1.358) 9.195 36.932 ( 2.479 1.189 0.426) 2.782 41.062 ( -8.203 -4.104 -5.248) 10.568 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 12.154 17.979 -5.377) 22.358 2.067 ( -9.859 -1.253 -4.318) 10.836 2.493 ( -5.244 -1.265 2.562) 5.972 2.600 ( 11.891 8.450 13.761) 20.053 4.004 ( -0.673 16.988 -12.798) 21.280 4.560 ( -13.846 7.222 0.798) 15.636 5.503 ( 10.133 37.310 0.454) 38.664 6.537 ( -8.957 18.963 -8.646) 22.685 6.576 ( -2.921 1.312 3.175) 4.510 7.661 ( -11.179 -16.988 3.612) 20.655 7.704 ( -15.120 -15.676 6.423) 22.707 8.605 ( 2.058 -7.128 0.663) 7.449 9.237 ( 3.297 9.786 -3.303) 10.842 10.072 ( 18.497 9.843 4.016) 21.335 10.614 ( 5.213 2.063 1.786) 5.884 10.776 ( 13.290 5.074 0.121) 14.226 11.390 ( -21.361 -20.154 -6.616) 30.104 12.425 ( 1.969 -12.626 3.220) 13.178 17.456 ( 5.438 8.451 -5.863) 11.635 17.622 ( 2.463 -4.272 4.228) 6.496 18.117 ( -16.025 1.392 -4.567) 16.721 18.824 ( 4.190 -1.189 2.543) 5.044 20.680 ( -1.033 0.450 2.270) 2.534 20.752 ( 3.198 -2.716 0.019) 4.195 29.250 ( -4.312 -0.292 0.716) 4.381 29.487 ( 6.039 -7.286 -2.440) 9.773 36.196 ( 1.323 0.397 1.060) 1.741 36.471 ( -1.436 8.976 -0.605) 9.111 37.031 ( 5.237 3.291 2.273) 6.590 40.829 ( -8.252 -3.702 -9.362) 13.017 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -14.317 3.384 2.499) 14.922 2.073 ( 4.377 9.672 -6.413) 12.403 2.369 ( -6.767 -4.399 2.796) 8.542 2.888 ( 5.220 7.161 12.046) 14.954 3.992 ( -13.831 3.901 -10.848) 18.005 4.393 ( -11.948 17.154 -2.392) 21.041 5.826 ( -8.356 23.706 -4.152) 25.476 6.422 ( -26.263 15.855 -2.487) 30.779 6.849 ( 7.164 31.862 -2.157) 32.729 7.279 ( -7.816 3.226 4.362) 9.515 7.514 ( 11.145 -36.286 8.764) 38.957 8.601 ( 7.314 -10.007 0.360) 12.400 9.346 ( 0.624 8.436 -2.795) 8.909 10.277 ( -3.430 6.620 -4.155) 8.536 10.448 ( -17.113 -20.056 6.923) 27.259 10.946 ( -1.983 1.172 -1.370) 2.681 11.214 ( 18.576 1.555 -5.974) 19.575 12.493 ( 19.045 -10.572 6.166) 22.638 17.580 ( 1.734 -1.330 -9.743) 9.985 17.602 ( -1.666 2.365 3.074) 4.221 17.903 ( -7.858 3.376 2.142) 8.817 18.852 ( -0.519 -0.489 0.808) 1.077 20.683 ( -0.463 0.316 2.241) 2.310 20.775 ( 2.659 -2.706 0.125) 3.796 29.207 ( -0.569 -0.390 0.657) 0.953 29.510 ( 6.355 -6.822 -2.717) 9.711 36.213 ( -0.642 -1.095 2.511) 2.814 36.467 ( -6.397 8.922 -3.432) 11.503 37.096 ( -3.787 -0.822 4.166) 5.690 40.714 ( 3.145 2.328 -10.829) 11.514 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -17.194 9.555 10.066) 22.097 2.112 ( -3.605 5.246 -4.744) 7.939 2.239 ( -4.221 -4.209 0.566) 5.988 3.009 ( -5.605 5.037 9.885) 12.430 3.560 ( -25.393 -5.820 -9.917) 27.875 4.362 ( -11.794 10.206 -4.554) 16.248 5.739 ( -27.992 21.022 -1.691) 35.047 6.080 ( -13.572 13.233 -9.209) 21.074 6.926 ( -3.522 -0.824 2.341) 4.309 7.487 ( 18.163 -28.033 8.115) 34.374 7.771 ( 17.738 37.527 2.421) 41.578 8.650 ( 10.643 -12.721 1.189) 16.628 9.375 ( -1.433 -1.227 -1.235) 2.255 9.798 ( -25.422 -11.065 -2.232) 27.815 10.345 ( -6.567 5.650 1.666) 8.821 10.855 ( -8.854 -0.435 0.402) 8.874 11.593 ( 24.483 10.168 -6.460) 27.286 12.814 ( 25.189 -16.081 6.140) 30.509 17.372 ( -9.027 -6.160 -1.289) 11.004 17.670 ( -0.935 6.975 -7.549) 10.320 17.919 ( 0.912 1.775 5.092) 5.469 18.835 ( -1.447 1.295 0.982) 2.176 20.693 ( 0.066 0.407 1.815) 1.862 20.789 ( 1.819 -2.363 0.199) 2.989 29.233 ( 3.066 0.568 0.425) 3.147 29.530 ( 4.810 -6.268 -2.554) 8.303 36.165 ( -5.311 0.037 1.324) 5.474 36.442 ( -4.453 8.205 -3.040) 9.818 36.920 ( -13.139 -7.342 4.277) 15.648 40.860 ( 13.090 6.936 -8.800) 17.231 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -19.775 7.661 8.845) 22.978 2.052 ( -4.107 0.478 -0.657) 4.187 2.200 ( 0.387 5.479 0.731) 5.541 2.884 ( -17.392 -1.435 7.898) 19.156 3.050 ( -16.791 -7.003 -13.290) 22.530 4.179 ( -11.036 1.922 -1.254) 11.272 5.454 ( -15.840 7.337 -2.602) 17.650 6.155 ( 1.941 18.426 -7.068) 19.830 6.849 ( -2.973 -6.416 4.272) 8.261 7.639 ( 18.472 -12.985 3.690) 22.879 8.253 ( 2.081 19.522 2.637) 19.809 8.673 ( 5.742 -16.674 1.171) 17.674 9.214 ( -7.147 0.243 0.167) 7.153 9.551 ( -5.479 8.342 -2.462) 10.280 10.214 ( -8.402 -5.780 -0.068) 10.198 10.747 ( -5.210 3.667 0.437) 6.386 12.123 ( 23.392 20.572 -3.653) 31.365 12.936 ( 8.280 -24.796 3.255) 26.344 17.249 ( 0.343 -2.687 1.150) 2.943 17.591 ( -9.812 3.181 -5.652) 11.762 17.973 ( 1.829 0.441 2.009) 2.752 18.857 ( 0.789 2.330 1.272) 2.769 20.708 ( 0.270 0.392 1.015) 1.121 20.792 ( 0.819 -1.539 0.190) 1.753 29.314 ( 4.336 2.184 0.434) 4.875 29.514 ( 1.357 -5.463 -1.888) 5.937 36.089 ( -4.325 1.827 -0.047) 4.695 36.407 ( -6.585 4.022 -1.916) 7.951 36.681 ( -6.557 -6.504 3.326) 9.816 41.099 ( 10.544 5.254 -4.750) 12.702 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 0.000 0.000 0.000) 0.000 2.013 ( -0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.610 ( -0.000 0.000 0.000) 0.000 2.874 ( -0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.791 ( -0.000 -0.000 0.000) 0.000 7.780 ( -0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 0.000) 0.000 8.614 ( -0.000 0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.554 ( 0.000 0.000 0.000) 0.000 10.082 ( 0.000 0.000 0.000) 0.000 10.730 ( -0.000 0.000 0.000) 0.000 12.624 ( -0.000 -0.000 0.000) 0.000 12.680 ( 0.000 0.000 0.000) 0.000 17.295 ( 0.000 0.000 0.000) 0.000 17.450 ( -0.000 0.000 0.000) 0.000 17.997 ( -0.000 0.000 0.000) 0.000 18.884 ( 0.000 0.000 0.000) 0.000 20.716 ( -0.000 0.000 0.000) 0.000 20.792 ( 0.000 0.000 0.000) 0.000 29.383 ( -0.000 0.000 0.000) 0.000 29.474 ( -0.000 0.000 0.000) 0.000 36.065 ( 0.000 0.000 0.000) 0.000 36.339 ( 0.000 0.000 0.000) 0.000 36.621 ( -0.000 0.000 0.000) 0.000 41.206 ( 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: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -0.000 0.000 22.324) 22.324 0.353 ( -0.000 0.000 22.324) 22.324 0.672 ( -0.000 0.000 42.998) 42.998 3.046 ( 0.000 -0.000 -8.769) 8.769 3.046 ( 0.000 -0.000 -8.769) 8.769 3.759 ( 0.000 -0.000 -5.621) 5.621 3.759 ( 0.000 -0.000 -5.621) 5.621 3.764 ( 0.000 -0.000 -14.805) 14.805 4.419 ( -0.000 0.000 11.162) 11.162 6.947 ( 0.000 -0.000 -1.734) 1.734 7.474 ( -0.000 0.000 8.847) 8.847 7.474 ( -0.000 0.000 8.847) 8.847 9.468 ( -0.000 0.000 1.880) 1.880 9.468 ( -0.000 0.000 1.880) 1.880 11.103 ( 0.000 -0.000 -4.036) 4.036 11.103 ( 0.000 -0.000 -4.036) 4.036 11.555 ( 0.000 -0.000 -0.472) 0.472 14.391 ( 0.000 -0.000 -1.246) 1.246 17.527 ( -0.000 0.000 1.008) 1.008 17.527 ( -0.000 0.000 1.008) 1.008 17.830 ( -0.000 0.000 -0.485) 0.485 17.830 ( 0.000 -0.000 -0.485) 0.485 21.137 ( -0.000 0.000 1.169) 1.169 21.688 ( 0.000 -0.000 -0.730) 0.730 30.019 ( 0.000 -0.000 -0.499) 0.499 30.349 ( -0.000 0.000 0.426) 0.426 36.027 ( -0.000 0.000 1.249) 1.249 36.027 ( -0.000 0.000 1.249) 1.249 36.560 ( 0.000 -0.000 -1.023) 1.023 36.560 ( 0.000 -0.000 -1.023) 1.023 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 31.044 3.191 9.288) 32.560 0.908 ( 19.897 3.005 22.373) 30.091 1.642 ( 43.879 35.863 11.227) 57.771 2.852 ( -25.289 -15.234 18.155) 34.658 3.111 ( 5.962 10.367 -5.431) 13.134 3.314 ( 23.016 12.156 -11.545) 28.474 3.700 ( -3.204 2.489 -10.953) 11.680 3.997 ( 20.942 7.121 -6.169) 22.964 4.436 ( 4.802 1.221 5.460) 7.373 6.681 ( 1.127 1.770 6.526) 6.855 7.488 ( -1.191 -3.976 7.981) 8.996 7.662 ( 8.349 7.423 12.735) 16.941 9.497 ( 2.468 -4.361 4.128) 6.492 10.910 ( 6.583 -8.841 -18.077) 21.172 11.085 ( 3.267 5.808 -9.867) 11.906 11.147 ( 16.578 20.962 -28.319) 38.939 11.716 ( 12.413 9.385 -0.853) 15.585 14.234 ( -13.977 -12.096 -12.782) 22.474 17.453 ( -3.910 -4.457 0.564) 5.956 17.666 ( -3.684 4.576 -2.455) 6.367 17.824 ( 0.513 1.552 -2.045) 2.618 18.145 ( 26.972 12.216 -12.023) 31.958 20.994 ( -27.806 -15.327 27.831) 42.222 21.125 ( -2.833 -1.584 2.505) 4.100 29.646 ( -12.856 -7.820 8.757) 17.410 30.262 ( -4.262 -2.572 -3.462) 6.063 36.071 ( 2.726 -0.244 2.757) 3.885 36.514 ( -2.055 -2.029 -2.366) 3.734 36.605 ( 3.401 1.755 1.050) 3.969 39.083 ( 119.361 71.709 -125.867) 187.701 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 12.819 5.871 20.966) 25.266 1.441 ( 24.746 3.085 0.670) 24.947 2.335 ( 11.011 7.598 1.504) 13.463 2.493 ( -12.682 -2.914 5.061) 13.962 3.358 ( 6.701 8.495 -1.963) 10.996 3.649 ( 6.950 11.076 -16.433) 21.001 4.050 ( 30.938 18.500 4.365) 36.311 4.555 ( 36.260 12.651 -7.348) 39.100 4.709 ( 26.735 16.010 -2.503) 31.262 6.876 ( 12.440 7.263 2.679) 14.652 7.483 ( 0.327 -2.966 9.381) 9.844 7.992 ( 12.720 8.894 14.374) 21.154 9.502 ( 0.752 -6.057 5.865) 8.464 10.685 ( -8.794 -8.249 -8.989) 15.040 10.979 ( -8.391 -2.267 -3.684) 9.440 11.371 ( 9.069 8.225 -18.537) 22.215 11.793 ( -13.993 -3.017 13.794) 19.879 13.695 ( -18.702 -16.115 -21.608) 32.808 17.374 ( -2.598 -1.121 0.087) 2.831 17.617 ( -1.078 -3.400 0.965) 3.695 17.854 ( 0.338 6.231 -2.294) 6.649 18.564 ( 17.496 8.960 -8.467) 21.403 20.740 ( -9.539 -4.575 16.262) 19.401 21.064 ( -3.913 -2.184 1.449) 4.710 29.459 ( -7.516 -4.566 1.827) 8.982 30.115 ( -6.610 -4.429 -4.990) 9.392 36.127 ( 1.518 0.597 3.320) 3.699 36.439 ( -1.847 -3.334 -2.864) 4.767 36.717 ( 5.230 2.923 5.065) 7.846 40.217 ( 43.085 27.576 -72.023) 88.341 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 7.454 0.328 14.839) 16.609 1.752 ( 10.561 0.782 4.821) 11.636 2.242 ( -6.554 -1.786 0.619) 6.822 2.531 ( -0.160 3.646 2.526) 4.439 3.410 ( 3.503 5.818 -12.618) 14.330 3.994 ( 17.072 13.942 -3.703) 22.350 4.496 ( 10.678 13.252 -1.643) 17.098 5.139 ( 36.287 4.918 -11.650) 38.427 5.679 ( 42.717 29.558 1.575) 51.970 7.234 ( 19.711 9.607 1.032) 21.952 7.590 ( 7.779 4.085 11.173) 14.214 8.360 ( 13.794 5.559 13.064) 19.795 9.451 ( -2.635 -8.543 6.036) 10.787 10.399 ( -19.642 -1.313 0.946) 19.709 10.727 ( -12.229 -10.835 -5.439) 17.220 11.314 ( -22.261 -14.166 8.323) 27.667 11.556 ( 3.618 4.675 -12.012) 13.388 13.232 ( -11.145 -7.265 -15.710) 20.586 17.330 ( -1.929 -0.611 -0.611) 2.114 17.583 ( 2.460 -6.935 -0.021) 7.358 17.946 ( 2.371 10.799 -2.048) 11.245 18.810 ( 8.076 4.342 -2.742) 9.571 20.678 ( -3.557 -1.324 9.270) 10.017 20.973 ( -4.834 -2.672 0.896) 5.596 29.324 ( -4.605 -2.532 -0.823) 5.319 29.923 ( -7.415 -5.414 -5.009) 10.459 36.152 ( -0.784 0.246 1.919) 2.088 36.374 ( -0.666 -3.246 -1.535) 3.652 36.861 ( 4.030 2.575 8.006) 9.325 40.621 ( 21.307 14.440 -43.467) 50.516 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -9.146 -4.196 3.477) 10.646 1.945 ( 6.763 -3.121 16.358) 17.973 2.219 ( -0.747 5.653 -1.881) 6.005 2.549 ( 0.718 0.294 0.407) 0.876 3.527 ( 10.954 6.635 -13.092) 18.314 4.300 ( 6.917 9.007 -0.487) 11.367 4.762 ( 10.110 10.272 -2.959) 14.713 5.713 ( 34.154 5.544 -13.838) 37.265 6.414 ( 18.499 14.274 3.862) 23.683 7.701 ( 20.174 16.399 -0.328) 26.001 7.970 ( 19.916 12.270 11.062) 25.876 8.639 ( 9.447 -2.928 9.123) 13.456 9.301 ( -9.275 -8.407 4.290) 13.233 9.843 ( -39.914 -16.025 10.710) 44.324 10.445 ( -2.905 -7.885 -6.842) 10.837 10.910 ( -12.450 -6.370 -1.244) 14.040 11.687 ( 11.080 6.132 -12.058) 17.486 12.980 ( -10.505 -2.039 -2.539) 10.998 17.295 ( -1.231 -0.277 -0.374) 1.316 17.564 ( 3.792 -6.544 -1.873) 7.792 18.104 ( 5.174 11.227 -3.750) 12.918 18.890 ( -0.435 0.221 1.971) 2.030 20.671 ( -1.141 -0.371 5.406) 5.537 20.869 ( -4.871 -2.681 0.408) 5.575 29.265 ( -0.293 0.067 -1.138) 1.177 29.726 ( -7.141 -5.343 -3.931) 9.746 36.137 ( -0.782 -0.274 -0.391) 0.917 36.334 ( -0.875 -2.731 0.710) 2.954 36.954 ( 0.069 1.082 6.953) 7.037 40.833 ( 13.489 9.089 -25.388) 30.152 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -8.722 2.095 -1.604) 9.112 1.997 ( -3.478 -10.504 14.124) 17.942 2.255 ( 0.884 5.415 -2.645) 6.091 2.587 ( 2.790 0.795 -1.457) 3.246 3.733 ( 13.041 5.883 -11.513) 18.364 4.398 ( -1.643 3.976 0.408) 4.321 4.984 ( 8.222 5.266 -0.707) 9.790 6.221 ( 29.261 4.168 -12.855) 32.231 6.700 ( 5.137 5.922 4.894) 9.242 8.157 ( 11.354 17.420 -0.278) 20.795 8.384 ( -4.823 13.701 9.970) 17.618 8.588 ( -4.859 -9.486 2.251) 10.893 9.063 ( -8.035 -7.358 2.221) 11.119 9.254 ( -6.447 -23.371 4.202) 24.606 10.367 ( -0.667 -0.825 -0.683) 1.261 10.730 ( -5.371 -0.076 -3.186) 6.245 11.919 ( 15.264 6.830 -6.639) 17.992 12.771 ( -13.336 -2.116 3.659) 13.989 17.280 ( -1.188 1.139 0.096) 1.649 17.570 ( 4.564 -4.512 -2.160) 6.772 18.275 ( 6.995 8.703 -6.902) 13.127 18.835 ( -6.535 -2.776 5.255) 8.833 20.685 ( 0.391 0.085 2.944) 2.971 20.770 ( -4.273 -2.338 0.071) 4.871 29.306 ( 4.093 2.494 -0.157) 4.796 29.550 ( -6.447 -4.528 -2.441) 8.248 36.132 ( 0.884 0.171 -1.429) 1.689 36.292 ( -1.749 -2.508 1.680) 3.489 36.953 ( -3.164 -0.363 2.274) 3.914 41.007 ( 10.026 6.368 -10.659) 15.959 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -1.372 4.570 -5.732) 7.458 1.829 ( -8.723 -8.657 3.049) 12.662 2.308 ( 1.139 1.529 0.847) 2.086 2.606 ( 0.013 -0.555 -2.321) 2.386 3.898 ( 5.519 4.264 -8.744) 11.185 4.369 ( -2.429 -0.265 -0.168) 2.450 5.107 ( 3.466 -1.642 2.675) 4.676 6.537 ( 11.416 -1.730 -9.656) 15.052 6.810 ( -4.718 5.488 7.149) 10.173 7.970 ( -10.805 -1.686 -2.564) 11.232 8.563 ( 4.291 9.889 -0.870) 10.815 8.586 ( -6.165 -3.820 -2.263) 7.598 8.850 ( -1.585 -14.744 6.989) 16.393 9.163 ( 0.339 0.925 0.160) 0.998 10.381 ( 2.012 0.358 2.716) 3.399 10.683 ( 0.543 1.714 -2.858) 3.377 12.208 ( 9.623 4.343 2.692) 10.895 12.565 ( -6.464 -1.414 1.700) 6.832 17.274 ( -1.780 2.603 0.013) 3.153 17.600 ( 3.349 -2.324 -0.542) 4.113 18.431 ( 8.296 5.891 -9.406) 13.856 18.691 ( -9.139 -5.140 6.491) 12.332 20.685 ( -3.356 -1.774 -0.561) 3.837 20.719 ( 1.840 0.744 1.588) 2.542 29.403 ( -4.168 -2.130 -0.570) 4.715 29.441 ( 6.218 3.114 0.731) 6.993 36.146 ( 0.727 0.346 -1.526) 1.725 36.259 ( -0.316 -1.311 1.700) 2.170 36.883 ( -3.700 -1.057 -3.250) 5.036 41.179 ( 7.360 4.409 1.012) 8.639 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 5.163 4.177 -6.179) 9.071 1.623 ( -7.999 -2.820 -5.265) 9.983 2.311 ( -0.794 -2.732 -0.078) 2.846 2.561 ( -2.481 -0.950 -1.834) 3.228 3.882 ( -6.305 1.662 -2.291) 6.911 4.340 ( 1.003 -2.675 -3.671) 4.652 5.086 ( -2.741 -8.356 5.418) 10.329 6.495 ( -13.166 -4.288 -5.102) 14.756 6.586 ( -17.089 -3.952 6.551) 18.724 8.061 ( 2.534 2.708 -5.342) 6.504 8.262 ( -5.793 -28.017 -1.224) 28.635 8.424 ( -10.030 -1.995 -3.708) 10.878 8.986 ( 4.815 14.961 -0.797) 15.737 9.176 ( 1.550 4.944 -1.653) 5.439 10.479 ( 7.129 1.355 4.771) 8.684 10.752 ( 4.713 5.260 -1.237) 7.170 12.138 ( -13.087 -4.179 5.523) 14.807 12.771 ( 19.841 6.121 4.699) 21.289 17.276 ( -1.123 3.318 -0.034) 3.503 17.617 ( -0.263 0.229 0.751) 0.828 18.427 ( -7.844 -7.557 -0.728) 10.917 18.644 ( 6.536 3.437 -3.515) 8.178 20.614 ( -2.826 -1.561 -1.135) 3.422 20.780 ( 3.332 1.715 0.624) 3.799 29.319 ( -2.487 -1.323 0.507) 2.862 29.622 ( 8.695 4.966 1.891) 10.190 36.130 ( -1.495 0.058 -1.521) 2.134 36.291 ( 2.994 0.654 1.595) 3.454 36.790 ( -2.702 -1.371 -7.090) 7.710 41.337 ( 4.568 2.583 8.290) 9.811 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -7.890 -1.532 -2.566) 8.437 1.570 ( 7.880 7.051 -9.517) 14.226 2.232 ( -2.062 -5.383 -2.657) 6.347 2.510 ( -2.294 -0.325 -0.187) 2.325 3.758 ( -8.514 -0.162 2.463) 8.865 4.263 ( -4.243 -5.307 -4.559) 8.183 4.916 ( -9.196 -12.371 5.847) 16.486 5.969 ( -33.755 -7.160 -0.085) 34.506 6.342 ( -14.545 -15.748 0.980) 21.460 7.662 ( -28.974 -4.888 -3.913) 29.643 7.832 ( -10.905 -32.864 3.709) 34.824 8.334 ( -14.622 7.142 -7.942) 18.107 9.180 ( 6.472 7.520 -2.740) 10.292 9.517 ( 33.702 10.816 -8.674) 36.443 10.690 ( 8.459 7.474 7.418) 13.507 10.911 ( 7.570 8.268 -1.722) 11.342 11.915 ( -10.559 -4.080 2.425) 11.576 13.243 ( 23.074 7.702 13.155) 27.655 17.303 ( 0.685 2.971 0.248) 3.059 17.603 ( -3.785 3.378 0.404) 5.089 18.192 ( -8.067 -10.653 0.760) 13.384 18.761 ( 5.224 2.242 -5.575) 7.963 20.546 ( -2.676 -1.628 -1.732) 3.579 20.865 ( 4.188 2.332 0.170) 4.796 29.307 ( 0.900 0.527 1.369) 1.721 29.830 ( 9.132 5.206 2.055) 10.711 36.098 ( -1.342 0.392 -2.292) 2.685 36.365 ( 3.047 1.904 2.108) 4.166 36.699 ( -1.547 -1.974 -7.915) 8.303 41.454 ( 1.703 0.856 10.058) 10.237 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -11.540 -8.023 0.165) 14.056 1.696 ( -1.692 5.812 -3.284) 6.886 2.181 ( 3.832 -1.160 -6.457) 7.597 2.469 ( -1.776 -1.393 0.882) 2.424 3.615 ( -9.827 -3.430 2.983) 10.828 4.066 ( -9.270 -5.808 -1.686) 11.068 4.611 ( -15.774 -13.859 3.864) 21.350 5.296 ( -35.998 -10.985 -1.846) 37.681 5.651 ( -40.006 -31.547 -0.725) 50.953 7.174 ( -21.410 -5.255 -2.509) 22.188 7.488 ( -3.778 -14.324 4.854) 15.589 8.030 ( -16.722 -3.630 -5.489) 17.970 9.305 ( 3.325 5.497 -2.951) 7.070 10.199 ( 37.733 9.027 -8.614) 39.743 10.915 ( 2.587 11.075 5.521) 12.642 11.154 ( 13.488 9.256 -4.417) 16.944 11.749 ( -6.739 -2.286 1.633) 7.301 13.796 ( 23.670 9.207 17.114) 30.626 17.350 ( 2.212 0.457 0.507) 2.315 17.570 ( -5.108 6.872 -0.873) 8.607 18.006 ( -3.364 -8.567 1.369) 9.305 18.773 ( -1.120 -1.454 -6.069) 6.341 20.477 ( -2.673 -1.647 -1.283) 3.391 20.959 ( 4.239 2.431 0.082) 4.888 29.366 ( 3.500 1.902 1.586) 4.287 30.033 ( 8.400 4.671 1.085) 9.673 36.069 ( -1.014 0.067 -2.804) 2.983 36.442 ( 1.632 3.745 2.043) 4.568 36.626 ( 0.042 -3.255 -5.703) 6.567 41.501 ( -1.024 -0.550 4.126) 4.287 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -14.078 -11.578 10.057) 20.818 1.519 ( -18.714 -8.707 3.930) 21.011 2.152 ( -7.709 -4.482 -8.972) 12.650 2.455 ( 0.477 0.301 3.069) 3.121 3.369 ( -12.964 -6.789 -0.603) 14.647 3.858 ( -14.897 -6.074 0.676) 16.102 4.134 ( -23.826 -15.854 3.387) 28.818 4.592 ( -32.990 -7.048 -5.596) 34.196 4.725 ( -25.843 -27.288 -1.586) 37.616 6.817 ( -13.384 -7.271 -0.554) 15.241 7.434 ( 1.123 -3.137 6.128) 6.975 7.715 ( -13.270 -5.121 -1.043) 14.262 9.377 ( 2.956 1.988 -2.076) 4.123 10.752 ( 25.187 2.887 -6.476) 26.166 11.047 ( -0.301 9.538 2.270) 9.809 11.420 ( 10.427 6.699 -11.320) 16.785 11.702 ( 0.856 3.380 4.054) 5.347 14.317 ( 18.677 7.285 11.317) 23.022 17.384 ( 3.093 -1.253 0.454) 3.368 17.601 ( -0.339 10.230 -0.275) 10.239 17.921 ( -0.772 -5.204 1.833) 5.571 18.622 ( -8.498 -5.722 -10.578) 14.726 20.432 ( -1.289 -0.603 4.954) 5.154 21.046 ( 3.469 2.015 0.316) 4.024 29.461 ( 4.231 2.262 1.907) 5.163 30.197 ( 6.327 3.427 -0.836) 7.244 36.038 ( -0.791 -0.542 -2.214) 2.412 36.508 ( -0.189 5.757 0.769) 5.811 36.583 ( 1.988 -5.047 -2.279) 5.883 41.411 ( -5.924 -2.856 -21.710) 22.684 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -4.023 24.790 15.296) 29.406 1.136 ( -23.654 25.481 20.558) 40.390 1.524 ( 17.501 40.774 7.741) 45.041 2.935 ( 0.835 -32.935 11.274) 34.821 3.033 ( 8.135 10.369 -10.057) 16.578 3.238 ( -3.934 30.846 -7.783) 32.055 3.782 ( 11.144 7.519 -8.846) 16.093 3.916 ( -10.866 20.307 -8.943) 24.707 4.439 ( -1.653 -0.915 5.754) 6.056 6.704 ( 1.134 -0.925 6.073) 6.246 7.584 ( -6.534 2.169 11.156) 13.109 7.672 ( 5.775 4.916 12.933) 14.992 9.439 ( -5.866 -3.453 1.810) 7.043 10.706 ( -6.199 19.591 -28.094) 34.807 11.035 ( 6.182 11.272 -16.313) 20.771 11.108 ( 3.857 3.516 -5.044) 7.259 11.683 ( 1.213 12.162 -0.223) 12.225 14.373 ( -3.618 1.526 -11.991) 12.618 17.480 ( -4.832 -5.098 1.256) 7.135 17.683 ( 14.556 -0.944 -2.904) 14.873 17.876 ( 3.768 6.100 -2.034) 7.453 17.940 ( -11.260 18.121 -7.243) 22.530 21.092 ( 0.423 -24.851 15.450) 29.265 21.145 ( 0.238 -11.879 8.464) 14.588 29.714 ( -0.383 -15.155 8.716) 17.487 30.244 ( -0.089 -5.462 -3.741) 6.621 36.017 ( -2.212 -0.904 0.669) 2.481 36.518 ( 4.126 -0.864 -2.037) 4.682 36.569 ( -4.802 0.968 -0.245) 4.905 38.567 ( 2.854 142.570 -97.483) 172.735 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.401 19.550 13.697) 23.874 1.359 ( 8.818 22.050 10.898) 26.129 2.101 ( 20.589 2.017 -6.303) 21.626 2.681 ( -9.197 -9.432 10.649) 16.940 3.303 ( 14.351 15.272 -4.871) 21.515 3.788 ( 7.916 31.743 -9.871) 34.172 3.873 ( 2.847 30.304 2.966) 30.581 4.139 ( 20.175 15.823 -10.056) 27.541 4.536 ( 12.589 12.344 -3.031) 17.890 6.813 ( 5.611 6.889 3.808) 9.666 7.553 ( -3.724 0.673 10.689) 11.339 7.955 ( 10.654 7.926 14.977) 20.016 9.386 ( 2.427 -7.997 1.865) 8.563 10.582 ( -0.364 -10.775 -11.444) 15.723 11.103 ( -4.596 0.986 -4.071) 6.219 11.177 ( 9.133 6.234 -17.698) 20.869 11.893 ( 6.505 2.010 7.309) 9.988 13.936 ( -32.641 -5.924 -15.633) 36.673 17.375 ( -2.245 -4.542 0.043) 5.066 17.696 ( -6.133 0.114 1.872) 6.413 17.900 ( 0.678 4.711 -1.123) 4.890 18.273 ( 21.251 13.984 -10.866) 27.663 20.877 ( -6.662 -16.063 16.367) 23.880 21.096 ( -2.135 -3.796 2.064) 4.820 29.548 ( -7.655 -8.164 4.314) 11.994 30.126 ( -4.083 -6.602 -5.310) 9.405 36.067 ( 6.698 -1.365 1.316) 6.961 36.436 ( -6.180 -1.325 -1.854) 6.586 36.663 ( 8.610 1.327 1.835) 8.903 39.593 ( 34.236 70.368 -74.433) 108.000 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 6.654 7.658 12.567) 16.150 1.726 ( 6.701 16.615 6.100) 18.926 2.237 ( 7.323 -8.464 -2.618) 11.494 2.605 ( -4.929 4.664 5.582) 8.787 3.560 ( -7.410 17.403 -6.213) 19.909 3.934 ( 11.362 29.723 -9.033) 33.078 4.374 ( 15.300 0.662 0.254) 15.316 4.627 ( 25.583 21.421 -10.756) 35.057 5.273 ( 40.324 35.714 -1.794) 53.895 7.030 ( 10.559 4.755 3.580) 12.121 7.643 ( 4.205 10.113 9.532) 14.519 8.285 ( 11.038 5.968 14.472) 19.154 9.326 ( 1.489 -16.192 4.090) 16.767 10.434 ( 0.260 -8.218 -7.198) 10.928 10.966 ( -11.436 3.020 -3.254) 12.267 11.264 ( 8.254 -3.857 -11.168) 14.413 11.814 ( -22.451 -7.897 12.504) 26.884 13.276 ( -20.629 -8.266 -17.411) 28.231 17.310 ( 0.106 -4.822 -1.918) 5.191 17.607 ( -6.738 1.939 2.753) 7.532 17.982 ( 3.133 6.881 -1.097) 7.640 18.638 ( 15.479 7.047 -6.814) 18.322 20.758 ( -3.643 -6.799 10.569) 13.084 21.017 ( -3.652 -4.090 1.305) 5.637 29.380 ( -6.403 -4.714 0.771) 7.989 29.944 ( -5.902 -7.456 -5.605) 11.038 36.172 ( 3.796 0.476 3.084) 4.914 36.325 ( -2.553 -2.595 -3.283) 4.902 36.840 ( 7.559 2.492 5.891) 9.902 40.216 ( 22.260 33.436 -49.800) 63.981 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -2.280 3.905 7.717) 8.945 1.975 ( 4.074 9.483 10.724) 14.884 2.292 ( 3.316 4.773 0.093) 5.812 2.567 ( -5.966 0.633 2.470) 6.488 3.553 ( -6.331 21.085 -11.339) 24.763 4.369 ( 6.634 24.816 -2.687) 25.828 4.626 ( 15.632 5.262 -4.825) 17.185 5.188 ( 27.827 15.041 -12.346) 33.956 6.175 ( 31.661 19.411 1.103) 37.155 7.312 ( 22.588 -1.626 3.961) 22.991 8.000 ( 11.842 24.528 7.115) 28.151 8.549 ( 7.641 1.316 11.686) 14.024 9.155 ( -0.593 -26.262 5.798) 26.901 10.365 ( 1.332 -3.636 -5.129) 6.426 10.656 ( -40.053 4.083 5.282) 40.606 11.096 ( -18.087 -11.725 3.596) 21.853 11.458 ( 3.789 0.223 -16.651) 17.078 12.993 ( -1.555 -9.545 -3.023) 10.132 17.271 ( 2.484 -4.476 -3.093) 5.981 17.542 ( -5.579 2.930 2.029) 6.621 18.110 ( 4.164 8.001 -2.152) 9.273 18.844 ( 7.146 1.849 -2.231) 7.711 20.713 ( -1.758 -3.096 6.530) 7.438 20.917 ( -4.278 -3.861 0.646) 5.799 29.270 ( -2.541 -2.176 -0.554) 3.391 29.748 ( -5.702 -7.513 -4.570) 10.480 36.186 ( -3.754 1.853 1.094) 4.327 36.306 ( 2.623 -0.706 -1.569) 3.137 36.989 ( 3.115 1.713 7.174) 8.006 40.544 ( 15.835 16.163 -31.118) 38.475 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -11.824 10.113 2.000) 15.688 2.159 ( -0.061 7.048 14.721) 16.321 2.347 ( -9.603 8.564 0.387) 12.873 2.503 ( 3.964 -2.785 -2.910) 5.652 3.656 ( 1.436 20.060 -11.144) 22.993 4.564 ( -2.503 15.165 -4.002) 15.883 4.912 ( 8.280 13.122 -1.836) 15.624 5.708 ( 29.152 8.170 -11.474) 32.377 6.639 ( 11.335 5.849 3.360) 13.190 7.839 ( 35.836 2.343 2.143) 35.976 8.447 ( 8.394 14.718 3.761) 17.356 8.641 ( -1.191 -2.582 8.449) 8.915 8.892 ( -0.769 -28.524 5.606) 29.080 9.828 ( -51.983 4.189 0.062) 52.151 10.368 ( 0.924 1.605 0.150) 1.858 10.859 ( -10.169 2.886 -2.682) 10.905 11.581 ( 19.160 -5.281 -10.054) 22.272 12.876 ( -3.649 -10.779 5.264) 12.539 17.291 ( 5.196 -1.431 -2.057) 5.769 17.495 ( -4.208 2.810 0.106) 5.061 18.235 ( 4.155 6.816 -4.496) 9.161 18.893 ( -0.618 -1.852 1.534) 2.483 20.699 ( -0.594 -1.411 3.749) 4.049 20.815 ( -4.158 -3.207 0.316) 5.260 29.257 ( 2.565 -0.033 -0.284) 2.581 29.572 ( -4.796 -6.942 -2.934) 8.933 36.154 ( -2.417 2.738 -0.659) 3.711 36.327 ( -0.847 2.395 -0.103) 2.542 37.031 ( -3.047 0.625 4.122) 5.164 40.778 ( 14.812 6.239 -15.569) 22.377 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -13.945 16.250 -2.790) 21.595 2.118 ( -19.877 9.029 5.467) 22.505 2.319 ( 1.262 2.258 2.637) 3.694 2.552 ( 3.438 -1.667 -2.269) 4.443 3.838 ( 4.030 17.797 -10.245) 20.927 4.568 ( -9.296 11.477 -3.143) 15.100 5.100 ( 0.849 10.373 0.700) 10.431 6.171 ( 24.700 2.911 -9.295) 26.551 6.829 ( 7.449 2.849 4.811) 9.314 8.117 ( -14.505 -23.678 2.721) 27.900 8.479 ( 19.345 2.290 -1.100) 19.511 8.603 ( -10.490 -22.344 2.216) 24.783 8.875 ( 4.416 20.093 3.503) 20.868 9.285 ( -18.331 10.315 -1.216) 21.069 10.438 ( 0.067 7.100 3.291) 7.825 10.720 ( -6.427 1.592 -3.626) 7.549 11.853 ( 24.911 -9.244 -2.147) 26.657 12.693 ( -9.217 -10.693 5.832) 15.274 17.384 ( 1.743 6.204 1.822) 6.697 17.460 ( 1.402 -1.721 -3.337) 4.008 18.333 ( 4.897 4.458 -6.859) 9.534 18.815 ( -6.737 -3.899 4.004) 8.754 20.705 ( 0.392 -0.297 1.324) 1.412 20.726 ( -3.234 -2.319 0.679) 4.037 29.345 ( 6.999 1.291 0.267) 7.122 29.429 ( -3.707 -5.832 -1.191) 7.012 36.149 ( -0.878 2.331 -1.045) 2.701 36.330 ( -3.342 6.143 0.438) 7.006 36.956 ( -6.641 0.065 -1.012) 6.718 41.005 ( 14.607 0.246 -3.319) 14.981 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -9.660 19.877 -5.289) 22.724 1.881 ( -19.383 8.938 -2.632) 21.506 2.334 ( -2.529 -0.004 1.254) 2.822 2.554 ( 0.250 -2.316 0.512) 2.385 3.975 ( -1.380 13.651 -7.962) 15.863 4.485 ( -10.615 10.955 -2.653) 15.484 5.139 ( -6.193 4.466 3.791) 8.524 6.394 ( 7.544 -3.459 -6.979) 10.843 6.934 ( -10.415 -1.139 6.241) 12.195 7.767 ( 9.126 -13.337 -5.121) 16.953 8.142 ( -12.653 -31.385 2.114) 33.906 8.576 ( -7.605 2.044 -2.174) 8.170 9.096 ( -3.833 12.276 -0.334) 12.865 9.346 ( 3.104 21.608 -1.785) 21.902 10.459 ( -2.966 4.383 0.442) 5.311 10.741 ( 4.968 6.377 2.054) 8.340 12.133 ( 15.944 -16.817 7.445) 24.340 12.506 ( 1.809 -6.403 1.033) 6.734 17.393 ( -5.135 5.385 0.140) 7.442 17.544 ( 7.022 1.405 -0.889) 7.216 18.384 ( 2.080 -3.643 -6.766) 7.960 18.685 ( -6.160 0.617 3.725) 7.225 20.645 ( -3.261 -1.713 -0.406) 3.706 20.747 ( 2.539 0.743 1.035) 2.841 29.327 ( -1.806 -4.638 -0.013) 4.978 29.507 ( 9.656 2.255 0.698) 9.941 36.147 ( -0.824 0.972 -1.179) 1.736 36.350 ( -3.445 8.812 1.417) 9.567 36.827 ( -6.343 0.148 -5.447) 8.362 41.222 ( 12.656 -2.845 3.865) 13.536 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.434 19.444 -7.839) 20.969 1.620 ( -19.069 8.529 -3.112) 21.120 2.257 ( -5.265 -1.075 -1.613) 5.611 2.530 ( -1.433 -3.086 3.654) 4.993 3.967 ( -8.828 10.089 -2.554) 13.647 4.407 ( -10.686 11.383 -4.585) 16.272 5.019 ( -12.369 -2.799 6.363) 14.188 6.317 ( -9.391 -6.128 -6.055) 12.744 6.496 ( -27.460 -12.036 0.870) 29.995 7.622 ( -9.348 -33.156 1.480) 34.481 7.950 ( 2.236 -5.830 -0.088) 6.245 8.536 ( 5.171 9.322 -4.112) 11.426 8.911 ( -14.311 -7.623 -5.070) 16.989 9.603 ( 0.001 29.658 -3.979) 29.923 10.587 ( 11.460 6.864 0.991) 13.395 10.931 ( 4.506 10.519 4.267) 12.213 12.024 ( -7.830 -12.231 5.550) 15.547 12.794 ( 32.574 -9.684 5.965) 34.503 17.365 ( -2.288 2.330 -0.765) 3.354 17.653 ( 1.529 6.401 -0.280) 6.587 18.217 ( -7.538 -12.449 -0.487) 14.561 18.714 ( 2.109 6.191 -2.123) 6.876 20.575 ( -3.167 -1.407 -0.426) 3.491 20.815 ( 3.971 1.350 0.441) 4.218 29.286 ( 0.962 -2.833 0.969) 3.145 29.705 ( 10.904 2.452 0.215) 11.178 36.129 ( -1.793 1.191 -1.198) 2.464 36.391 ( -1.744 6.247 2.399) 6.915 36.711 ( -4.399 1.704 -7.409) 8.783 41.393 ( 8.772 -3.887 4.813) 10.734 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -16.390 -0.442 -1.472) 16.462 1.807 ( 2.620 21.423 -4.527) 22.053 2.144 ( -5.180 -0.628 -4.481) 6.878 2.490 ( -1.625 -4.214 6.435) 7.862 3.879 ( -13.204 9.386 1.367) 16.258 4.267 ( -14.820 9.374 -5.160) 18.279 4.745 ( -16.207 -11.699 6.678) 21.075 5.768 ( -35.110 -10.323 -8.243) 37.513 5.973 ( -27.322 -18.844 -0.091) 33.190 7.234 ( -5.755 -21.653 0.005) 22.405 7.728 ( -21.320 4.297 3.274) 21.993 8.311 ( -24.919 -3.503 -3.900) 25.464 9.017 ( 25.533 -7.569 -3.428) 26.851 9.935 ( 11.635 27.231 -5.306) 30.084 10.889 ( 13.248 7.690 1.116) 15.358 11.104 ( 3.487 9.313 1.247) 10.022 11.828 ( -6.609 -7.029 3.729) 10.344 13.336 ( 37.720 -8.911 8.018) 39.579 17.351 ( -0.438 0.163 -1.277) 1.360 17.699 ( -3.314 5.753 -0.869) 6.696 17.998 ( -5.110 -8.184 2.692) 10.017 18.768 ( -0.549 3.904 -4.456) 5.950 20.512 ( -3.026 -0.909 0.654) 3.227 20.903 ( 4.705 1.373 0.300) 4.911 29.314 ( 3.855 -1.131 1.239) 4.204 29.906 ( 10.750 2.039 -0.979) 10.985 36.100 ( -2.573 1.747 -1.172) 3.324 36.424 ( 1.021 -0.497 1.677) 2.025 36.648 ( -3.452 5.587 -5.289) 8.432 41.469 ( 3.316 -3.945 -2.067) 5.553 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -15.104 -2.303 9.931) 18.222 1.846 ( -17.519 3.314 -0.609) 17.840 2.100 ( 4.634 5.368 -8.475) 11.050 2.488 ( -0.202 -0.619 7.161) 7.190 3.661 ( -21.541 3.910 -0.115) 21.894 4.116 ( -12.735 11.217 -0.425) 16.976 4.342 ( -17.904 -18.244 4.064) 25.883 4.979 ( -38.377 -18.848 -9.173) 43.729 5.210 ( -44.187 -3.997 -2.627) 44.445 6.970 ( -10.455 -7.406 -0.208) 12.814 7.505 ( -11.021 3.195 3.375) 11.961 7.934 ( -15.901 -3.047 4.123) 16.707 9.251 ( 11.537 -3.130 -2.139) 12.143 10.405 ( 20.447 15.601 -6.466) 26.519 11.089 ( 4.093 0.960 2.255) 4.771 11.296 ( 10.116 10.360 -6.088) 15.707 11.726 ( -1.680 -4.048 5.831) 7.294 13.880 ( 33.568 -9.967 0.717) 35.024 17.341 ( 0.743 -0.418 -1.399) 1.639 17.661 ( -1.020 -2.984 1.856) 3.659 17.938 ( -2.457 2.677 1.549) 3.950 18.702 ( -7.936 2.592 -7.498) 11.221 20.482 ( -1.344 0.519 5.510) 5.695 20.994 ( 4.624 0.893 0.508) 4.737 29.393 ( 5.561 -0.466 1.128) 5.693 30.078 ( 9.273 0.955 -2.700) 9.705 36.068 ( -2.776 2.157 -0.797) 3.605 36.439 ( 3.552 -4.569 -0.220) 5.792 36.640 ( -3.501 7.198 -1.082) 8.077 41.366 ( -5.843 -4.182 -22.627) 23.740 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -5.190 6.768 16.687) 18.740 1.569 ( -1.918 22.828 -0.955) 22.928 2.080 ( -25.802 12.147 5.160) 28.981 2.619 ( 10.779 -12.494 9.293) 18.938 3.214 ( -14.657 19.831 -5.867) 25.348 3.549 ( 4.847 11.930 -17.678) 21.870 3.899 ( -15.796 30.547 6.112) 34.928 4.254 ( -18.028 23.024 -6.703) 30.001 4.625 ( -11.948 17.443 -3.517) 21.433 6.799 ( -6.145 7.669 3.203) 10.336 7.671 ( 6.858 7.574 12.094) 15.832 7.872 ( -14.650 3.693 13.884) 20.518 9.518 ( -4.254 -6.930 6.155) 10.198 10.789 ( 7.941 -5.856 -10.525) 14.427 10.912 ( -9.837 -7.176 -12.186) 17.227 11.098 ( -2.305 9.599 -15.761) 18.598 11.793 ( -2.570 -3.875 7.252) 8.615 14.071 ( 30.236 0.387 -14.347) 33.469 17.426 ( 6.671 -2.410 1.638) 7.280 17.553 ( -5.786 -5.637 -0.257) 8.082 17.863 ( 4.191 5.456 -3.155) 7.569 18.337 ( -18.417 14.095 -8.069) 24.555 20.860 ( 7.023 -16.508 16.315) 24.249 21.094 ( 2.172 -3.811 1.975) 4.810 29.556 ( 7.709 -8.201 4.419) 12.092 30.136 ( 3.653 -5.628 -5.329) 8.569 36.101 ( -5.467 -1.277 2.837) 6.290 36.412 ( 1.710 -4.755 -3.161) 5.960 36.714 ( -5.979 5.146 3.192) 8.510 39.530 ( -33.559 69.537 -76.057) 108.380 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 10.344 3.432 10.327) 15.014 1.686 ( -2.072 7.080 6.592) 9.893 1.820 ( -12.706 10.265 -8.434) 18.383 2.688 ( 3.576 -6.785 11.836) 14.104 3.288 ( 0.738 21.394 -4.440) 21.863 3.756 ( 11.434 9.556 -9.370) 17.603 4.154 ( 7.609 28.317 -2.482) 29.426 4.383 ( -10.142 44.421 -2.985) 45.662 4.584 ( -6.099 28.590 -6.173) 29.878 6.861 ( 0.586 11.255 3.078) 11.683 7.743 ( -11.124 1.492 12.749) 16.985 7.948 ( 8.549 9.179 13.326) 18.301 9.384 ( -5.988 -4.392 2.458) 7.823 10.466 ( -8.031 -14.454 -9.365) 19.003 10.970 ( 11.835 -1.895 -11.520) 16.624 11.094 ( 0.113 -0.370 -6.423) 6.435 11.823 ( 5.131 -1.500 6.098) 8.109 14.208 ( -7.771 -3.928 -14.849) 17.214 17.398 ( -5.026 -4.112 0.701) 6.532 17.587 ( 13.216 -5.238 -0.647) 14.231 17.947 ( -0.176 3.173 -0.526) 3.221 18.238 ( -4.119 19.213 -7.587) 21.063 20.832 ( 0.735 -15.680 13.334) 20.597 21.081 ( 0.065 -4.816 1.924) 5.187 29.556 ( -0.265 -9.306 3.847) 10.073 30.070 ( -0.753 -7.069 -6.151) 9.401 36.005 ( -1.894 -0.800 0.186) 2.064 36.483 ( 10.517 -1.385 -0.615) 10.626 36.601 ( -11.237 1.569 1.681) 11.470 39.675 ( 2.866 71.222 -61.076) 93.867 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 2.052 5.072 12.378) 13.533 1.836 ( 6.060 3.788 -1.895) 7.394 1.844 ( 15.689 3.069 -1.893) 16.098 2.755 ( -0.309 0.612 12.333) 12.352 3.590 ( 14.610 18.787 -4.902) 24.299 3.939 ( 14.741 -1.253 -11.038) 18.458 4.342 ( -16.269 23.409 -6.084) 29.149 4.612 ( 14.111 33.144 -8.987) 37.127 5.187 ( 14.416 52.489 1.391) 54.451 7.029 ( 2.055 11.808 3.751) 12.559 7.727 ( 0.293 6.654 10.531) 12.461 8.247 ( 9.457 6.993 13.055) 17.572 9.246 ( -5.825 -9.213 1.665) 11.026 10.259 ( 3.844 -15.661 -2.677) 16.346 10.964 ( 1.723 -7.392 -10.969) 13.339 11.115 ( 4.449 0.122 -4.381) 6.246 11.933 ( 4.212 -4.884 8.495) 10.665 13.654 ( -37.060 -7.907 -14.206) 40.469 17.286 ( -3.940 -3.705 -1.566) 5.630 17.707 ( 3.552 -0.828 0.608) 3.698 17.959 ( 1.858 2.745 -0.172) 3.320 18.454 ( 10.844 13.461 -5.779) 18.226 20.765 ( -0.849 -9.390 9.702) 13.529 21.026 ( -1.889 -5.235 1.407) 5.740 29.440 ( -5.393 -6.237 1.842) 8.449 29.921 ( -4.170 -8.081 -6.278) 11.050 36.054 ( 7.242 -0.275 -0.331) 7.254 36.439 ( -9.977 1.461 1.034) 10.137 36.686 ( 13.680 -1.505 3.151) 14.119 40.102 ( 9.307 47.614 -45.748) 66.683 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.223 4.907 10.195) 11.380 2.010 ( 10.445 1.636 4.078) 11.332 2.121 ( 12.722 4.342 -1.023) 13.482 2.786 ( -7.051 5.352 10.978) 14.102 3.872 ( -2.699 22.207 -10.282) 24.621 4.135 ( 20.101 -10.338 -10.054) 24.738 4.541 ( 13.635 35.524 -6.290) 38.567 5.099 ( 9.827 32.921 -6.931) 35.049 5.873 ( 22.401 26.150 0.839) 34.444 7.138 ( 1.559 2.129 5.821) 6.391 8.041 ( 13.680 21.640 6.593) 26.437 8.501 ( 7.601 2.032 11.442) 13.886 9.007 ( -6.832 -20.507 3.442) 21.887 10.233 ( 6.559 -8.442 -1.380) 10.779 10.877 ( 4.759 -12.164 -5.351) 14.116 11.126 ( -2.383 2.314 -3.080) 4.530 11.791 ( -26.421 -0.836 0.388) 26.437 12.973 ( -18.447 -12.009 -5.660) 22.728 17.188 ( -1.219 -4.212 -3.316) 5.498 17.707 ( -5.121 4.612 1.758) 7.113 18.071 ( 6.860 3.376 -1.002) 7.711 18.704 ( 10.015 5.696 -3.341) 11.996 20.727 ( -0.650 -5.057 6.501) 8.262 20.940 ( -3.076 -4.900 0.701) 5.827 29.309 ( -5.014 -3.157 0.535) 5.949 29.733 ( -5.002 -8.309 -5.247) 11.026 36.190 ( 8.147 0.584 -0.228) 8.171 36.321 ( -7.058 2.989 0.069) 7.665 36.909 ( 11.403 -1.847 6.124) 13.075 40.391 ( 6.890 27.429 -31.790) 42.549 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -2.197 6.170 5.491) 8.547 2.200 ( 5.947 3.070 6.372) 9.241 2.326 ( 9.513 0.535 -2.394) 9.824 2.734 ( -13.821 9.151 10.484) 19.613 3.937 ( -9.321 28.380 -8.878) 31.163 4.367 ( 23.590 -5.980 -13.882) 28.017 5.109 ( 9.332 36.368 -0.299) 37.547 5.465 ( 5.578 25.760 -6.662) 27.186 6.441 ( 23.204 8.063 1.506) 24.611 7.308 ( 21.566 -2.788 4.407) 22.187 8.431 ( 0.822 -8.029 5.721) 9.893 8.596 ( 6.918 -0.969 5.743) 9.043 8.799 ( -0.568 -1.194 4.273) 4.473 10.257 ( 2.133 -1.161 -4.447) 5.067 10.701 ( -23.393 -11.176 8.588) 27.311 11.061 ( -9.619 7.682 -2.655) 12.593 11.270 ( -10.926 -0.784 -14.478) 18.156 12.767 ( 2.679 -15.676 5.542) 16.841 17.157 ( 3.890 -2.470 -3.324) 5.682 17.666 ( -6.855 6.121 1.408) 9.298 18.198 ( 4.962 3.397 -2.322) 6.446 18.844 ( 4.720 0.501 -1.070) 4.865 20.708 ( -0.438 -2.677 3.980) 4.816 20.845 ( -3.390 -3.958 0.286) 5.220 29.237 ( -1.138 -1.068 0.374) 1.605 29.557 ( -4.183 -7.758 -3.503) 9.485 36.245 ( -4.349 1.957 2.056) 5.193 36.329 ( 4.313 5.836 -3.192) 7.928 37.058 ( 4.106 -1.229 5.652) 7.093 40.565 ( 8.220 11.972 -18.666) 23.650 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -7.813 10.633 -0.311) 13.199 2.318 ( 2.460 0.714 3.212) 4.108 2.396 ( 2.566 -3.686 -4.686) 6.490 2.639 ( -15.252 11.863 11.447) 22.459 4.050 ( -5.909 30.184 -8.506) 31.911 4.582 ( 12.244 -1.801 -9.541) 15.627 5.451 ( -12.095 39.125 2.661) 41.038 5.800 ( 19.319 11.389 -7.091) 23.521 6.736 ( 8.438 1.632 3.665) 9.343 7.891 ( 38.946 -0.990 4.392) 39.205 8.058 ( -5.128 -35.375 1.932) 35.797 8.609 ( -8.959 -10.527 -1.120) 13.868 9.002 ( 6.590 19.279 2.437) 20.520 9.908 ( -39.064 5.282 -3.220) 39.551 10.485 ( 3.361 5.730 5.870) 8.865 10.903 ( -12.961 3.083 -2.847) 13.623 11.322 ( 20.055 -11.132 -5.499) 23.587 12.677 ( -0.579 -16.026 6.787) 17.414 17.237 ( 8.324 0.246 -2.505) 8.696 17.616 ( -6.895 6.489 1.031) 9.525 18.270 ( 3.156 1.185 -3.931) 5.178 18.864 ( -1.197 -1.706 0.775) 2.224 20.703 ( 0.148 -1.095 2.033) 2.314 20.759 ( -3.249 -2.873 0.323) 4.349 29.258 ( 3.825 -0.061 0.383) 3.845 29.415 ( -2.995 -6.670 -1.599) 7.484 36.206 ( -3.297 1.725 0.760) 3.798 36.435 ( 0.937 9.997 -2.182) 10.275 37.067 ( -4.784 0.342 1.933) 5.171 40.732 ( 13.048 0.742 -7.156) 14.900 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -10.123 13.011 -4.691) 17.139 2.256 ( -12.492 4.553 -3.589) 13.772 2.365 ( -0.287 -1.476 -1.046) 1.832 2.594 ( -6.610 3.477 10.390) 12.796 4.191 ( -6.364 27.136 -9.128) 29.329 4.633 ( 0.249 -0.041 -2.944) 2.954 5.544 ( -18.981 32.819 2.425) 37.990 6.166 ( 15.281 5.507 -5.301) 17.086 6.928 ( 10.956 3.001 5.290) 12.531 7.548 ( -8.001 -32.022 -2.841) 33.129 8.154 ( -21.253 -25.146 -2.023) 32.987 8.523 ( 21.051 0.040 2.768) 21.232 9.278 ( -0.805 17.038 -1.225) 17.101 9.526 ( -8.736 17.839 -2.129) 19.977 10.673 ( -14.850 6.259 -1.857) 16.222 10.702 ( 8.868 4.412 4.609) 10.925 11.548 ( 25.904 -20.676 1.507) 33.178 12.506 ( -5.554 -13.587 4.296) 15.294 17.355 ( 5.624 -0.922 -3.872) 6.891 17.609 ( -2.502 9.309 2.687) 10.007 18.284 ( 1.960 -3.490 -4.304) 5.878 18.802 ( -4.890 0.067 1.892) 5.244 20.681 ( -3.010 -1.646 -0.211) 3.437 20.722 ( 1.386 -0.227 1.363) 1.957 29.297 ( -0.708 -4.963 -1.029) 5.118 29.377 ( 7.038 -0.047 0.811) 7.085 36.176 ( -2.030 0.758 0.087) 2.169 36.527 ( -2.511 12.877 -0.033) 13.120 36.945 ( -9.643 1.045 -2.715) 10.073 40.938 ( 16.371 -5.253 0.004) 17.193 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -8.138 9.583 -6.752) 14.271 2.053 ( -17.005 12.777 -3.215) 21.512 2.320 ( -3.262 -0.586 -1.029) 3.470 2.563 ( -3.617 -3.705 9.741) 11.032 4.225 ( -9.795 16.847 -7.365) 20.833 4.613 ( -4.467 5.251 0.496) 6.912 5.465 ( -25.220 22.748 3.307) 34.124 6.306 ( 0.968 2.372 -3.915) 4.679 6.819 ( -24.005 -13.151 -5.247) 27.870 7.480 ( 6.492 -16.862 0.989) 18.095 7.595 ( 6.943 -19.660 1.578) 20.909 8.596 ( -5.741 0.338 0.868) 5.816 9.203 ( -15.916 3.755 -4.267) 16.900 9.832 ( 4.796 27.299 -3.531) 27.941 10.530 ( -0.092 4.079 -2.710) 4.898 10.965 ( 7.289 10.152 7.109) 14.378 11.774 ( 24.353 -26.929 6.809) 36.940 12.356 ( 3.248 -8.623 0.843) 9.253 17.354 ( 0.557 -1.868 -4.926) 5.298 17.724 ( 1.302 9.545 2.375) 9.922 18.198 ( -3.623 -8.624 -0.824) 9.391 18.770 ( -1.884 4.537 0.692) 4.961 20.616 ( -3.129 -1.082 0.091) 3.312 20.767 ( 3.124 0.505 0.562) 3.214 29.242 ( 0.334 -3.885 0.256) 3.908 29.535 ( 10.658 0.660 -0.670) 10.699 36.156 ( -1.109 0.339 0.199) 1.176 36.578 ( -7.491 10.710 3.532) 13.538 36.783 ( -6.554 1.826 -6.819) 9.632 41.152 ( 15.196 -6.482 0.928) 16.546 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -14.270 0.711 -3.824) 14.791 2.019 ( -4.973 19.732 -2.423) 20.493 2.231 ( -6.462 -1.000 -0.728) 6.579 2.511 ( -2.136 -6.800 10.393) 12.602 4.145 ( -9.514 5.779 -2.240) 11.354 4.564 ( -10.647 10.224 -1.706) 14.859 5.154 ( -31.593 7.086 2.652) 32.487 6.132 ( -29.887 -20.539 -7.156) 36.964 6.228 ( -15.464 6.306 -5.114) 17.465 7.135 ( -5.482 -15.994 0.524) 16.915 7.932 ( 9.806 0.261 8.163) 12.761 8.600 ( 10.751 0.390 -0.891) 10.795 8.753 ( -32.385 -1.884 -6.187) 33.024 10.068 ( 1.073 21.029 -2.349) 21.187 10.715 ( 14.191 4.599 -2.156) 15.072 11.140 ( 1.492 3.265 4.509) 5.763 11.815 ( 3.225 -15.765 5.521) 17.012 12.615 ( 34.605 -7.033 0.318) 35.313 17.324 ( 0.737 -0.785 -5.039) 5.153 17.768 ( -2.958 -2.555 -0.279) 3.919 18.070 ( -5.356 1.007 4.278) 6.928 18.807 ( -0.155 4.637 -1.172) 4.785 20.561 ( -2.888 -0.286 1.157) 3.124 20.837 ( 4.388 0.473 0.319) 4.425 29.243 ( 2.917 -2.040 0.618) 3.613 29.720 ( 11.626 0.403 -2.358) 11.870 36.145 ( -1.080 0.290 1.163) 1.613 36.492 ( -8.647 1.420 0.011) 8.763 36.742 ( -2.310 6.669 -2.197) 7.391 41.297 ( 9.478 -5.220 -5.016) 11.926 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -12.760 0.464 7.105) 14.612 2.045 ( -9.451 -6.676 -3.115) 11.983 2.146 ( -2.379 14.555 -0.654) 14.763 2.501 ( 1.366 -3.700 9.560) 10.341 3.961 ( -12.917 -6.943 -0.611) 14.678 4.462 ( -13.242 14.409 -3.406) 19.864 4.618 ( -31.937 -5.705 0.079) 32.443 5.397 ( -33.290 -10.474 -9.923) 36.282 5.892 ( -33.998 10.401 -2.213) 35.622 7.008 ( -2.238 -1.714 1.718) 3.301 7.895 ( -22.631 6.460 4.227) 23.912 8.205 ( -19.038 -3.887 3.971) 19.833 8.937 ( 22.163 0.871 0.532) 22.187 10.303 ( 8.233 14.901 -3.374) 17.355 10.951 ( 12.045 -5.674 1.391) 13.387 11.179 ( 6.050 -2.194 -0.506) 6.455 11.732 ( -1.428 -7.848 3.608) 8.754 13.173 ( 36.543 -4.747 -6.413) 37.404 17.316 ( 1.141 1.173 -4.458) 4.749 17.634 ( -3.023 -10.067 2.392) 10.780 18.059 ( -5.135 6.492 2.129) 8.547 18.813 ( -3.522 4.237 -2.593) 6.090 20.538 ( -1.481 0.877 4.323) 4.653 20.920 ( 5.008 -0.068 0.451) 5.029 29.298 ( 4.892 -1.017 0.199) 5.000 29.892 ( 10.978 -0.487 -4.051) 11.711 36.134 ( -1.884 0.708 2.238) 3.010 36.388 ( -2.418 -1.360 -2.381) 3.656 36.760 ( -3.046 5.277 2.427) 6.559 41.278 ( -0.703 -3.393 -19.129) 19.440 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -14.729 2.607 6.601) 16.350 1.784 ( -3.549 10.639 -2.590) 11.510 2.360 ( 0.363 -1.166 1.431) 1.881 2.495 ( 2.493 1.619 16.026) 16.300 3.368 ( 4.551 13.164 -18.477) 23.139 3.818 ( -18.915 23.500 -3.249) 30.341 4.252 ( -13.349 5.193 -1.598) 14.413 5.020 ( -21.734 27.659 -7.097) 35.885 5.192 ( -38.014 35.713 -0.859) 52.166 7.050 ( -12.309 7.274 3.169) 14.644 7.738 ( 2.826 12.955 12.194) 18.015 8.264 ( -17.204 7.622 12.644) 22.670 9.483 ( 1.299 -13.698 7.106) 15.486 10.472 ( 13.478 -8.010 -6.855) 17.112 10.881 ( 4.087 -0.645 -5.427) 6.824 11.203 ( -14.345 -3.776 -14.341) 20.632 11.666 ( 14.027 -14.893 10.931) 23.196 13.428 ( 31.115 -2.564 -14.018) 34.224 17.355 ( 2.332 0.671 -0.402) 2.460 17.636 ( -7.705 -1.618 0.996) 7.936 17.813 ( 3.316 1.781 -2.939) 4.776 18.675 ( -12.984 7.996 -4.855) 16.003 20.737 ( 3.178 -7.117 10.372) 12.974 21.015 ( 3.649 -4.198 1.248) 5.701 29.381 ( 6.774 -5.051 0.887) 8.496 29.971 ( 6.046 -5.597 -5.500) 9.906 36.164 ( -0.419 0.479 2.385) 2.469 36.358 ( -2.589 -4.799 -1.910) 5.777 36.877 ( -3.880 5.781 6.364) 9.433 40.147 ( -24.283 31.709 -51.059) 64.824 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -6.671 -7.851 -8.445) 13.321 1.808 ( -4.384 7.509 4.476) 9.780 2.217 ( -14.299 1.864 1.515) 14.499 2.663 ( 1.408 -1.892 17.263) 17.423 3.556 ( 4.001 18.421 -14.237) 23.623 3.706 ( -11.872 12.045 -2.821) 17.146 4.206 ( -0.956 17.606 -5.084) 18.350 4.950 ( -15.684 27.603 -6.907) 32.491 5.201 ( -13.167 57.905 -0.491) 59.385 7.027 ( -3.684 11.617 3.811) 12.769 7.993 ( 5.290 12.201 11.436) 17.540 8.087 ( -18.571 5.667 12.237) 22.951 9.401 ( 0.434 -11.169 6.315) 12.838 10.486 ( -14.974 -16.087 -9.486) 23.938 10.656 ( 9.837 -8.705 -6.647) 14.722 11.060 ( -0.566 -1.173 -7.121) 7.239 11.726 ( 5.923 -8.602 6.148) 12.118 13.908 ( 28.147 -3.657 -12.020) 30.824 17.402 ( 3.272 -0.746 -1.968) 3.891 17.461 ( -6.619 -3.796 2.007) 7.890 17.923 ( 5.144 3.300 -1.929) 6.409 18.521 ( -12.233 11.637 -4.391) 17.446 20.749 ( 1.542 -8.812 9.598) 13.120 21.024 ( 2.016 -5.218 1.409) 5.769 29.439 ( 5.469 -7.004 1.703) 9.048 29.957 ( 2.665 -6.525 -6.184) 9.376 36.094 ( -8.387 -2.234 2.130) 8.937 36.318 ( 5.958 -1.350 -2.429) 6.574 36.827 ( -10.873 1.778 5.035) 12.114 40.029 ( -6.473 48.528 -46.648) 67.623 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 19.248 -8.643 -9.172) 23.007 1.850 ( -1.291 4.883 8.149) 9.588 2.025 ( -10.804 5.499 3.470) 12.610 2.740 ( 4.100 -2.601 12.579) 13.484 3.629 ( 1.838 2.617 -14.726) 15.069 3.673 ( 0.703 7.955 -0.116) 7.986 4.527 ( 13.759 23.454 -5.064) 27.660 4.898 ( -15.167 31.730 -13.438) 37.648 5.709 ( -2.699 58.828 4.144) 59.035 7.182 ( 1.652 18.852 2.967) 19.156 7.930 ( -12.450 6.899 11.639) 18.386 8.248 ( 6.603 8.615 10.091) 14.821 9.320 ( -7.108 -5.814 3.061) 9.680 10.023 ( -3.390 -27.575 1.748) 27.838 10.769 ( 9.012 -6.903 -10.020) 15.142 10.987 ( 2.891 -4.573 -4.133) 6.808 11.818 ( 7.854 -1.975 3.590) 8.859 13.936 ( -10.833 -9.924 -12.126) 19.049 17.341 ( -5.381 -2.043 -0.336) 5.766 17.491 ( 11.112 -3.215 -1.991) 11.737 17.986 ( 0.428 1.862 -1.413) 2.376 18.510 ( -1.811 13.925 -1.155) 14.089 20.732 ( 0.343 -6.781 7.825) 10.360 20.995 ( 0.040 -5.693 1.223) 5.823 29.430 ( 0.387 -6.202 1.034) 6.299 29.867 ( -1.805 -7.169 -6.244) 9.677 35.996 ( -0.947 -0.125 0.003) 0.955 36.452 ( 11.486 -1.888 0.594) 11.655 36.652 ( -12.202 0.137 4.265) 12.927 40.264 ( 2.272 45.438 -37.281) 58.818 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 28.639 -2.747 -0.114) 28.771 1.890 ( -2.544 1.731 11.070) 11.490 2.093 ( 5.996 8.254 1.908) 10.379 2.885 ( 6.167 -0.841 12.436) 13.906 3.594 ( 13.258 -11.291 -19.640) 26.249 3.908 ( 13.375 11.947 0.120) 17.934 4.787 ( -3.863 27.493 -6.975) 28.626 5.150 ( 12.803 34.227 -10.877) 38.127 6.118 ( -6.097 36.411 4.430) 37.183 7.329 ( -9.767 14.924 4.766) 18.461 8.071 ( 9.362 20.444 7.923) 23.841 8.468 ( 5.937 4.391 8.133) 10.985 9.010 ( -14.141 -19.651 2.652) 24.355 9.946 ( 13.903 -16.926 5.506) 22.586 10.664 ( -0.184 -12.660 -7.748) 14.844 11.082 ( 9.161 0.489 -3.869) 9.957 11.938 ( 2.989 1.786 1.018) 3.628 13.342 ( -35.746 -13.045 -8.059) 38.896 17.209 ( -6.390 -1.699 -3.051) 7.282 17.677 ( 12.412 -2.079 -0.271) 12.587 17.998 ( 1.429 2.245 -2.200) 3.453 18.659 ( 3.751 10.192 0.953) 10.902 20.716 ( -0.041 -4.168 5.717) 7.075 20.933 ( -1.599 -5.378 0.706) 5.655 29.359 ( -3.512 -3.220 0.495) 4.791 29.709 ( -4.591 -7.527 -5.394) 10.336 36.059 ( 7.098 1.535 -0.848) 7.311 36.484 ( -8.181 0.921 2.147) 8.508 36.672 ( 14.222 -3.967 4.641) 15.477 40.497 ( -0.761 33.362 -27.672) 43.351 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 4.554 3.509 3.567) 6.766 2.011 ( 15.030 -2.580 7.683) 17.076 2.268 ( 3.960 5.694 1.638) 7.126 3.006 ( -2.227 4.235 12.968) 13.823 3.726 ( 28.981 -10.465 -20.499) 37.009 4.206 ( 5.158 14.692 -2.072) 15.708 5.140 ( 14.988 33.523 -7.556) 37.491 5.676 ( 17.798 30.423 -3.608) 35.430 6.299 ( -2.479 16.778 3.498) 17.317 7.266 ( -10.156 7.546 5.056) 13.625 8.357 ( -7.892 -22.438 6.708) 24.714 8.575 ( 7.493 17.754 1.641) 19.341 8.785 ( 4.928 -2.035 4.789) 7.166 10.093 ( 13.150 -6.777 2.584) 15.017 10.529 ( 5.035 -16.318 -3.242) 17.382 11.188 ( 2.056 4.225 -2.664) 5.401 11.796 ( -28.588 4.967 -6.838) 29.811 12.694 ( -15.415 -15.068 2.484) 21.699 17.110 ( -1.632 -0.214 -2.788) 3.238 17.780 ( 0.109 1.653 0.365) 1.696 18.085 ( 8.293 0.128 -2.920) 8.793 18.795 ( 3.007 4.762 1.010) 5.722 20.707 ( -0.224 -2.399 3.686) 4.403 20.855 ( -2.366 -4.278 0.246) 4.895 29.277 ( -3.910 -0.798 0.763) 4.063 29.537 ( -4.474 -6.944 -3.922) 9.145 36.211 ( 8.329 1.601 -0.549) 8.499 36.400 ( -5.395 5.015 0.315) 7.373 36.897 ( 14.299 -5.474 5.618) 16.309 40.591 ( -3.732 19.778 -18.180) 27.122 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -0.437 6.048 2.165) 6.439 2.210 ( 9.306 -4.489 1.402) 10.427 2.327 ( 0.667 0.011 -0.038) 0.668 3.012 ( -10.295 6.316 10.605) 16.073 4.098 ( 31.374 -4.187 -14.968) 35.013 4.385 ( -1.394 22.081 -2.321) 22.247 5.642 ( 12.482 26.414 -6.138) 29.853 6.147 ( -10.306 39.322 3.475) 40.798 6.563 ( 23.046 4.495 3.104) 23.684 7.318 ( 15.587 1.340 2.865) 15.904 7.877 ( -11.765 -36.435 3.389) 38.438 8.681 ( -7.834 -2.396 -1.436) 8.317 9.021 ( 11.064 12.536 1.712) 16.807 10.246 ( 4.508 3.141 -2.744) 6.142 10.449 ( 2.217 -19.562 5.575) 20.461 11.183 ( -12.775 5.668 -3.159) 14.328 11.210 ( -23.335 4.285 -5.200) 24.288 12.524 ( 2.232 -14.360 4.812) 15.308 17.140 ( 4.468 3.365 -1.164) 5.713 17.756 ( -4.346 2.219 -0.035) 4.880 18.184 ( 5.599 -1.983 -2.986) 6.649 18.858 ( 0.944 1.246 0.467) 1.631 20.701 ( -0.122 -1.222 1.989) 2.337 20.780 ( -2.551 -2.919 0.166) 3.880 29.236 ( -0.868 0.072 1.062) 1.374 29.397 ( -3.370 -5.491 -2.222) 6.815 36.268 ( -1.618 -1.521 1.931) 2.943 36.465 ( 4.091 10.960 -3.542) 12.223 37.067 ( 7.089 -2.961 4.310) 8.808 40.605 ( -0.100 6.976 -9.152) 11.508 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -6.178 6.533 -2.412) 9.309 2.264 ( 4.072 -3.867 -3.073) 6.401 2.347 ( 1.426 -0.914 2.335) 2.885 2.903 ( -14.204 3.992 7.751) 16.666 4.390 ( 11.526 2.371 -12.511) 17.176 4.587 ( 1.201 19.674 1.847) 19.796 5.998 ( 7.330 15.974 -5.009) 18.275 6.265 ( -13.077 33.139 6.624) 36.237 6.854 ( 2.575 11.816 2.829) 12.420 7.368 ( -9.945 -32.317 -1.103) 33.831 7.935 ( 46.587 -0.871 2.936) 46.688 8.291 ( -22.663 -20.418 -4.640) 30.855 9.350 ( 11.369 16.367 -0.841) 19.946 9.975 ( -28.767 4.975 -1.490) 29.232 10.489 ( 14.837 -13.566 4.004) 20.499 10.982 ( -11.449 7.833 0.979) 13.906 11.140 ( 4.197 -3.499 -2.465) 5.995 12.433 ( -0.078 -13.973 3.183) 14.331 17.270 ( 5.096 4.657 -0.829) 6.953 17.713 ( -2.340 2.860 0.087) 3.696 18.202 ( 2.301 -4.239 -2.323) 5.353 18.862 ( -1.543 0.571 0.391) 1.691 20.701 ( -0.174 -0.403 0.227) 0.494 20.719 ( -1.858 -1.724 0.848) 2.672 29.258 ( 1.708 -0.030 -0.132) 1.714 29.304 ( -0.463 -3.691 -0.076) 3.721 36.221 ( -2.781 -0.822 0.845) 3.021 36.624 ( 3.526 10.543 -2.172) 11.327 37.093 ( -4.718 0.722 1.146) 4.909 40.666 ( 8.798 -1.867 -2.514) 9.339 ======================= Grid point 207 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -8.024 5.904 -2.618) 10.300 2.242 ( -2.116 -1.297 -3.458) 4.256 2.370 ( -0.806 2.979 0.675) 3.159 2.719 ( -12.773 -2.691 7.994) 15.307 4.417 ( -3.114 0.838 -6.534) 7.287 4.768 ( -2.294 17.331 1.336) 17.533 6.024 ( -13.808 7.058 0.113) 15.507 6.473 ( -8.390 29.299 1.859) 30.533 6.921 ( -5.041 -24.751 -6.482) 26.078 7.113 ( 11.962 13.394 3.214) 18.244 7.601 ( -24.951 -28.121 -2.235) 37.661 8.523 ( 19.614 -2.909 2.186) 19.948 9.461 ( -14.171 5.635 -2.550) 15.462 9.907 ( 10.182 20.488 -2.225) 22.986 10.554 ( 2.360 -10.029 -0.893) 10.342 10.935 ( 5.442 4.684 2.903) 7.745 11.221 ( 10.389 -10.956 2.612) 15.323 12.306 ( -2.027 -9.103 2.291) 9.604 17.326 ( -0.616 1.758 -3.173) 3.679 17.758 ( 2.594 2.816 0.231) 3.836 18.176 ( 0.174 -3.118 0.780) 3.219 18.838 ( -2.135 1.245 0.580) 2.538 20.657 ( -2.776 -0.693 0.102) 2.863 20.729 ( 1.955 -0.111 0.470) 2.014 29.222 ( -1.568 -1.691 -0.142) 2.310 29.376 ( 8.073 -0.353 -0.465) 8.094 36.181 ( -1.722 -0.525 0.712) 1.936 36.748 ( 1.379 8.002 -0.048) 8.120 36.944 ( -13.581 1.236 -1.341) 13.703 40.832 ( 15.085 -4.147 -0.966) 15.675 ======================= Grid point 208 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -13.097 3.865 0.038) 13.655 2.175 ( -2.359 1.399 -3.731) 4.631 2.364 ( -5.910 5.620 1.205) 8.244 2.546 ( -5.675 -9.126 10.005) 14.683 4.277 ( -8.026 -5.697 -0.637) 9.863 4.842 ( -7.714 15.362 -2.424) 17.360 5.705 ( -27.114 -3.554 0.419) 27.349 6.333 ( -21.439 -17.547 -7.975) 28.830 6.568 ( -15.758 12.822 -5.012) 20.925 7.179 ( -9.588 2.787 1.844) 10.153 7.609 ( 28.172 6.992 7.654) 30.019 8.607 ( -2.363 -1.010 2.590) 3.648 9.177 ( -22.821 -0.394 -6.736) 23.798 10.206 ( 4.550 9.730 1.068) 10.794 10.487 ( 6.546 -8.451 -2.287) 10.932 11.173 ( -0.326 0.574 4.281) 4.331 11.352 ( 28.407 -11.717 -1.955) 30.790 12.303 ( 7.057 3.058 3.018) 8.262 17.299 ( -1.075 1.786 -4.766) 5.202 17.753 ( -1.753 -7.254 -0.557) 7.484 18.193 ( -1.350 6.001 3.809) 7.235 18.833 ( 0.045 0.798 0.510) 0.948 20.611 ( -2.587 0.080 0.922) 2.747 20.774 ( 3.412 -0.182 0.120) 3.419 29.203 ( 0.449 -0.161 0.355) 0.595 29.523 ( 10.459 -0.171 -2.348) 10.720 36.162 ( -0.695 -0.669 1.651) 1.912 36.689 ( -13.464 -1.946 -4.212) 14.241 36.826 ( -1.397 5.615 4.060) 7.068 41.035 ( 13.542 -2.200 -5.285) 14.702 ======================= Grid point 209 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -14.256 1.168 5.445) 15.305 2.084 ( -5.653 -9.817 1.559) 11.435 2.343 ( -5.675 9.664 1.244) 11.276 2.475 ( 0.921 -6.694 7.650) 10.207 4.034 ( -10.764 -12.926 -0.478) 16.828 4.774 ( -12.277 8.083 -4.965) 15.515 5.103 ( -32.434 -10.645 -2.116) 34.202 5.761 ( -24.439 -2.042 -10.408) 26.641 6.437 ( -16.647 11.865 -1.619) 20.507 7.171 ( -9.810 20.687 3.203) 23.118 8.123 ( 13.159 8.050 12.463) 19.832 8.593 ( -20.330 0.235 -4.256) 20.772 8.684 ( -3.128 -1.137 1.663) 3.721 10.318 ( 3.121 3.399 1.434) 4.832 10.554 ( 17.280 -23.016 0.615) 28.787 11.085 ( -0.809 -10.718 1.452) 10.846 11.623 ( 8.823 2.367 -6.946) 11.476 12.666 ( 24.144 9.889 -0.546) 26.097 17.293 ( 0.567 3.251 -5.006) 5.996 17.607 ( -4.001 -10.072 1.704) 10.971 18.226 ( -5.366 6.838 1.320) 8.791 18.853 ( 0.919 0.507 0.755) 1.293 20.589 ( -1.504 0.857 2.931) 3.404 20.837 ( 4.556 -0.752 0.174) 4.621 29.233 ( 2.394 0.764 -0.028) 2.513 29.682 ( 10.882 -0.683 -3.978) 11.607 36.157 ( -0.309 -1.252 2.778) 3.062 36.455 ( -8.479 -2.714 -3.922) 9.728 36.862 ( -2.029 2.611 6.025) 6.873 41.137 ( 4.883 0.193 -14.798) 15.584 ======================= Grid point 212 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 8.976 5.151 3.615) 10.962 1.868 ( -14.242 -1.559 -2.994) 14.637 2.338 ( 4.352 7.874 7.016) 11.409 2.565 ( 2.444 2.238 11.120) 11.603 3.413 ( -4.484 16.433 -18.377) 25.057 4.220 ( -11.427 9.891 -1.019) 15.148 4.577 ( -12.781 17.787 -2.382) 22.032 5.557 ( -19.904 27.726 -13.256) 36.614 6.089 ( -32.625 16.627 3.185) 36.756 7.349 ( -17.866 -0.440 5.267) 18.631 7.979 ( -6.917 16.478 10.449) 20.702 8.677 ( -12.087 13.483 7.777) 19.707 9.260 ( 6.832 -25.975 4.680) 27.263 10.157 ( 13.216 -6.940 -0.127) 14.927 10.735 ( 15.751 8.503 -2.301) 18.047 11.131 ( 22.239 -14.360 7.167) 27.426 11.409 ( -12.466 -2.297 -15.797) 20.254 12.972 ( 11.108 -10.814 -4.277) 16.082 17.329 ( 2.508 2.992 -2.058) 4.413 17.698 ( 5.167 5.983 -0.990) 7.968 17.852 ( -13.005 -3.904 -1.824) 13.700 18.859 ( -5.118 2.019 -0.669) 5.542 20.701 ( 1.082 -2.987 6.348) 7.099 20.913 ( 4.201 -3.999 0.595) 5.831 29.265 ( 2.516 -2.493 -0.397) 3.564 29.784 ( 6.772 -5.596 -4.600) 9.916 36.160 ( 1.666 1.543 -0.492) 2.323 36.369 ( -1.471 -1.310 1.414) 2.425 36.991 ( -0.106 3.336 6.168) 7.013 40.494 ( -18.268 14.772 -31.562) 39.345 ======================= Grid point 213 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -23.430 -1.811 -3.616) 23.777 1.930 ( 0.986 5.293 2.429) 5.907 2.348 ( -4.388 -1.184 0.142) 4.547 2.763 ( 1.304 3.730 19.510) 19.906 3.531 ( 4.898 21.300 -17.852) 28.220 3.976 ( -14.595 -2.469 -2.641) 15.036 4.668 ( -17.918 36.576 -2.399) 40.799 5.423 ( -18.704 24.130 -10.404) 32.254 5.901 ( -14.210 37.802 0.214) 40.385 7.198 ( -5.537 2.384 6.452) 8.830 8.101 ( 0.570 7.374 10.207) 12.606 8.588 ( -20.209 17.450 7.427) 27.714 9.193 ( 9.579 -20.483 6.394) 23.499 10.278 ( 11.962 -4.046 -7.846) 14.867 10.714 ( -23.173 -17.124 -1.116) 28.836 11.005 ( 0.962 -3.729 -4.694) 6.072 11.499 ( 14.487 -7.230 -0.045) 16.191 13.262 ( 34.134 -5.579 -4.856) 34.926 17.390 ( 0.856 5.358 -5.379) 7.641 17.585 ( -12.056 -4.309 2.133) 12.979 17.844 ( 6.475 2.527 -0.018) 6.951 18.762 ( -8.757 4.661 -2.092) 10.138 20.713 ( 0.603 -4.015 6.370) 7.554 20.936 ( 3.203 -4.866 0.714) 5.869 29.298 ( 4.860 -4.025 0.423) 6.324 29.800 ( 5.116 -6.312 -5.323) 9.714 36.205 ( -1.124 0.735 2.887) 3.184 36.262 ( -4.953 -1.981 -2.520) 5.900 37.017 ( -6.017 1.588 6.126) 8.732 40.305 ( -7.361 28.079 -32.271) 43.405 ======================= Grid point 214 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -13.998 3.416 1.558) 14.492 1.945 ( -3.207 3.239 1.426) 4.776 2.230 ( -8.260 -1.222 0.558) 8.368 2.817 ( -6.029 -0.788 16.483) 17.569 3.502 ( -6.272 -6.327 -15.296) 17.701 3.895 ( -4.442 13.189 -2.597) 14.157 4.670 ( -7.879 29.580 -3.271) 30.786 5.336 ( -13.172 24.639 -11.973) 30.396 6.271 ( -0.838 46.679 1.571) 46.713 7.289 ( 6.032 12.167 4.778) 14.396 8.216 ( 2.823 -1.750 10.520) 11.032 8.462 ( -20.218 22.215 6.232) 30.678 9.257 ( 10.168 -9.614 7.251) 15.760 9.990 ( -25.973 -29.544 0.261) 39.338 10.453 ( 13.785 -4.964 -7.355) 16.394 10.924 ( -3.379 -6.947 -3.196) 8.360 11.663 ( 11.715 1.032 -1.478) 11.853 13.679 ( 21.514 -10.495 -6.808) 24.887 17.345 ( -2.489 -2.248 -1.592) 3.712 17.458 ( -4.468 2.226 -2.215) 5.461 17.953 ( 3.941 0.994 0.296) 4.075 18.685 ( -5.502 7.775 -0.073) 9.525 20.714 ( 0.167 -3.344 5.661) 6.577 20.932 ( 1.692 -5.290 0.777) 5.608 29.338 ( 4.163 -4.156 0.186) 5.885 29.773 ( 1.893 -6.382 -5.437) 8.596 36.066 ( -7.530 -1.643 0.815) 7.750 36.311 ( 5.175 1.457 -0.418) 5.392 36.873 ( -12.516 -2.838 5.744) 14.060 40.442 ( 3.396 34.635 -27.746) 44.508 ======================= Grid point 215 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 13.867 5.251 8.857) 17.272 1.965 ( 1.620 2.143 1.979) 3.337 2.112 ( -3.356 1.430 3.082) 4.776 2.813 ( 1.609 -3.028 10.714) 11.250 3.255 ( 0.778 -13.990 -17.735) 22.602 3.927 ( -1.428 9.790 1.186) 9.965 4.932 ( 5.483 21.262 -3.122) 22.179 5.381 ( -4.248 33.097 -12.954) 35.795 6.553 ( -7.162 23.524 3.295) 24.810 7.630 ( 4.034 24.152 3.006) 24.670 8.282 ( -2.286 12.724 9.095) 15.807 8.473 ( -1.628 10.219 5.667) 11.798 9.133 ( -22.415 -19.884 1.755) 30.015 9.577 ( 12.721 -18.106 9.545) 24.099 10.516 ( 2.811 -10.581 -6.766) 12.870 10.857 ( 8.735 -4.354 -4.151) 10.606 11.887 ( 9.185 9.536 -2.256) 13.431 13.583 ( -12.427 -16.937 -6.975) 22.135 17.310 ( -6.228 -0.685 -0.788) 6.315 17.429 ( 8.769 -0.456 -2.956) 9.265 17.993 ( 0.820 0.682 -1.570) 1.898 18.737 ( 0.282 8.392 3.035) 8.928 20.714 ( -0.141 -2.099 4.416) 4.891 20.899 ( -0.044 -5.060 0.612) 5.097 29.352 ( 1.147 -2.095 -0.238) 2.401 29.679 ( -2.521 -6.501 -4.696) 8.406 36.005 ( 0.453 1.207 -0.033) 1.289 36.418 ( 8.212 -2.584 0.865) 8.652 36.681 ( -9.384 -2.353 5.407) 11.083 40.689 ( 1.413 30.773 -21.318) 37.462 ======================= Grid point 216 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 24.205 0.692 9.425) 25.985 1.994 ( -0.044 0.970 4.510) 4.613 2.250 ( 7.200 6.357 3.179) 10.117 2.944 ( 15.450 -4.537 3.566) 16.492 3.149 ( 12.214 -11.621 -13.573) 21.644 4.096 ( 11.697 6.668 1.030) 13.504 5.190 ( 8.854 20.113 -4.462) 22.424 5.689 ( 7.045 32.333 -8.274) 34.110 6.588 ( -8.320 9.736 3.955) 13.403 7.723 ( -17.871 21.787 3.693) 28.420 8.359 ( -13.719 -23.617 6.071) 27.979 8.611 ( 11.970 2.223 2.873) 12.509 8.743 ( -3.517 15.912 2.242) 16.449 9.768 ( 16.469 -9.989 8.157) 20.918 10.362 ( -0.887 -11.302 -4.490) 12.193 11.018 ( 14.335 -4.015 -3.963) 15.405 12.067 ( -2.057 14.360 -4.914) 15.317 12.989 ( -30.678 -18.416 -2.180) 35.848 17.170 ( -6.637 0.949 -2.718) 7.234 17.641 ( 14.628 -1.461 0.523) 14.711 17.995 ( 0.771 0.580 -3.177) 3.321 18.833 ( 0.580 4.978 3.239) 5.967 20.713 ( -0.440 -1.185 2.882) 3.147 20.846 ( -1.248 -4.003 0.308) 4.204 29.335 ( -2.284 0.365 0.316) 2.335 29.534 ( -4.624 -5.842 -3.617) 8.282 36.090 ( 7.002 2.117 -0.526) 7.334 36.506 ( 0.987 -0.144 0.687) 1.211 36.634 ( 7.419 -5.078 5.347) 10.460 40.812 ( -6.407 22.056 -14.472) 27.146 ======================= Grid point 217 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 13.465 -1.802 2.022) 13.735 2.058 ( 3.322 1.332 2.660) 4.460 2.327 ( -0.857 -1.623 1.229) 2.209 3.172 ( 1.194 -0.715 6.732) 6.875 3.399 ( 37.939 -2.048 -10.117) 39.318 4.401 ( 14.756 6.522 0.725) 16.149 5.661 ( 21.314 27.507 -6.450) 35.391 6.115 ( 20.746 18.344 -0.282) 27.694 6.539 ( -6.674 3.049 4.346) 8.528 7.616 ( -21.318 20.782 3.607) 29.989 7.809 ( -17.152 -27.378 2.063) 32.373 8.750 ( 1.147 -5.687 1.512) 5.995 8.957 ( 4.972 14.438 -1.552) 15.348 9.969 ( 15.725 -12.398 6.683) 21.111 10.316 ( 4.985 -1.119 -1.527) 5.332 11.153 ( 8.924 -5.559 -3.225) 10.997 11.837 ( -36.164 5.047 -6.280) 37.050 12.488 ( -9.337 -7.406 2.256) 12.130 17.133 ( 0.643 4.473 -0.689) 4.571 17.791 ( 2.556 -1.048 1.769) 3.281 18.026 ( 6.508 -1.920 -4.513) 8.149 18.874 ( -0.374 1.235 1.693) 2.129 20.706 ( -0.535 -0.685 1.439) 1.682 20.790 ( -1.762 -2.489 0.127) 3.052 29.288 ( -3.928 0.142 1.343) 4.153 29.404 ( -3.725 -2.787 -2.543) 5.301 36.217 ( 5.810 -1.054 0.218) 5.909 36.520 ( -0.807 7.407 -1.055) 7.525 36.825 ( 16.981 -6.972 4.353) 18.866 40.764 ( -11.161 12.160 -7.801) 18.256 ======================= Grid point 218 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 2.968 -4.685 -5.003) 7.469 2.141 ( 4.534 4.825 0.304) 6.628 2.310 ( 1.733 -3.662 4.314) 5.918 3.127 ( -7.263 -1.902 1.836) 7.730 3.961 ( 30.640 0.612 -3.506) 30.846 4.679 ( 9.480 8.248 1.326) 12.636 6.130 ( 3.746 32.385 -7.456) 33.443 6.454 ( 1.112 -7.254 5.275) 9.038 6.879 ( 42.089 8.985 6.516) 43.528 7.251 ( -10.075 -24.244 -0.468) 26.258 7.592 ( -16.203 26.616 1.210) 31.184 8.446 ( -20.532 -19.625 -3.409) 28.606 9.232 ( 14.969 9.738 -1.113) 17.892 10.116 ( 13.516 -14.034 6.048) 20.401 10.367 ( -7.782 6.258 -1.464) 10.093 11.157 ( -0.760 -4.601 -3.434) 5.791 11.268 ( -24.522 2.334 0.599) 24.640 12.355 ( -3.921 -4.984 -0.713) 6.382 17.253 ( 4.952 7.949 1.049) 9.424 17.764 ( -3.143 -1.273 0.910) 3.511 18.082 ( 5.445 -4.621 -3.137) 7.800 18.878 ( -0.112 -0.212 0.320) 0.400 20.699 ( -0.127 -0.355 0.339) 0.507 20.742 ( -2.080 -1.199 0.173) 2.407 29.244 ( -0.616 -1.392 1.036) 1.842 29.326 ( -3.984 0.787 -0.975) 4.177 36.240 ( -0.249 -2.294 0.301) 2.327 36.621 ( 4.490 6.419 -1.180) 7.922 37.045 ( 10.986 -2.180 1.990) 11.375 40.650 ( -7.041 4.113 -2.333) 8.482 ======================= Grid point 219 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -0.913 0.469 -2.208) 2.435 2.214 ( 0.285 -1.283 0.855) 1.568 2.361 ( 4.261 0.870 1.427) 4.577 2.928 ( -12.596 -5.346 0.161) 13.684 4.305 ( 11.867 -2.211 -0.129) 12.072 4.877 ( 6.113 4.968 0.022) 7.877 6.267 ( -10.337 11.450 -2.705) 15.661 6.584 ( 13.625 -0.572 4.641) 14.405 6.784 ( -9.415 -10.704 -1.531) 14.338 7.470 ( -18.302 18.189 -1.235) 25.833 7.799 ( -15.734 -13.911 0.509) 21.008 7.921 ( 35.772 -0.917 0.133) 35.784 9.552 ( 11.237 2.231 -0.267) 11.460 10.099 ( -20.068 8.334 0.993) 21.752 10.276 ( 12.492 -3.762 -0.280) 13.049 11.021 ( -8.680 -2.235 -2.847) 9.405 11.140 ( 0.753 -0.758 2.466) 2.688 12.255 ( -0.829 -5.017 -0.039) 5.085 17.375 ( -0.918 6.140 -0.005) 6.208 17.728 ( 0.621 -1.609 -0.034) 1.725 18.111 ( 5.049 -2.575 0.027) 5.668 18.867 ( -0.962 -0.823 0.019) 1.266 20.694 ( -1.682 0.166 -0.379) 1.733 20.707 ( 0.118 -0.654 0.372) 0.761 29.263 ( 3.051 -1.072 -0.209) 3.240 29.272 ( -2.888 2.211 0.209) 3.643 36.204 ( -1.558 -1.105 0.007) 1.910 36.737 ( 4.437 1.420 -0.039) 4.659 37.108 ( -3.386 -0.153 0.038) 3.390 40.642 ( 4.359 1.541 -0.008) 4.624 ======================= Grid point 220 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -6.516 3.437 3.940) 8.354 2.156 ( -0.545 -6.098 -0.236) 6.127 2.449 ( 1.887 4.635 -0.631) 5.044 2.641 ( -12.354 -9.999 1.616) 15.975 4.317 ( -4.105 -8.286 4.098) 10.115 4.968 ( 2.405 0.790 -4.300) 4.990 6.040 ( -21.269 -6.188 -0.857) 22.167 6.403 ( -11.118 -12.713 -7.161) 18.344 6.817 ( -13.866 -7.246 -1.287) 15.698 7.208 ( 16.440 4.324 6.421) 18.171 7.739 ( -14.766 36.458 2.777) 39.432 8.446 ( 22.735 -6.100 -0.871) 23.555 9.466 ( -15.665 -3.601 -0.779) 16.092 9.971 ( 4.889 -15.125 -0.693) 15.911 10.497 ( -0.015 9.416 -2.486) 9.739 10.936 ( 8.844 -3.612 -1.902) 9.740 11.187 ( 4.993 4.365 1.750) 6.859 12.270 ( 3.902 2.593 2.793) 5.454 17.358 ( -4.512 4.318 -1.920) 6.534 17.697 ( -0.490 -7.026 -0.682) 7.076 18.232 ( 5.836 5.496 2.408) 8.371 18.831 ( -1.054 -2.820 0.482) 3.049 20.659 ( -2.469 0.601 0.477) 2.585 20.724 ( 2.155 -0.586 -0.323) 2.256 29.239 ( -2.839 3.285 0.596) 4.383 29.357 ( 7.888 -0.390 -1.566) 8.051 36.176 ( -1.009 -0.561 0.724) 1.362 36.751 ( -2.106 -5.647 -2.755) 6.627 36.981 ( -8.682 0.363 3.316) 9.301 40.805 ( 11.318 3.753 -2.325) 12.148 ======================= Grid point 221 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -13.057 -6.072 2.369) 14.594 2.096 ( -5.677 -7.826 7.322) 12.128 2.425 ( -1.325 -8.664 2.236) 9.045 2.493 ( -2.217 5.559 -0.238) 5.990 4.103 ( -11.202 -11.657 2.109) 16.304 4.905 ( -4.862 -6.218 -5.281) 9.497 5.435 ( -27.274 -20.431 -3.881) 34.298 6.081 ( -17.134 9.397 -9.463) 21.712 6.652 ( -5.167 2.439 1.704) 5.962 7.650 ( 2.647 23.603 9.260) 25.492 7.961 ( 9.286 24.658 3.820) 26.624 8.606 ( 5.559 -1.612 1.757) 6.048 9.058 ( -26.865 -5.136 -5.855) 27.971 9.889 ( 14.412 -36.920 3.846) 39.819 10.442 ( -5.355 3.245 -2.637) 6.794 10.955 ( 3.432 -13.732 0.140) 14.155 11.524 ( 11.962 22.059 -7.064) 26.069 12.481 ( 13.048 7.966 4.965) 16.074 17.327 ( -2.752 4.411 -2.469) 5.756 17.584 ( -2.935 -8.096 0.024) 8.612 18.355 ( -1.202 7.276 -0.410) 7.386 18.808 ( 2.577 -4.571 2.449) 5.791 20.636 ( -1.741 0.993 1.694) 2.624 20.761 ( 3.459 -1.105 -0.297) 3.643 29.245 ( -1.176 3.826 0.421) 4.024 29.489 ( 9.504 -0.367 -2.869) 9.934 36.164 ( -0.555 -0.861 1.625) 1.921 36.533 ( -9.317 -8.685 -4.064) 13.370 36.937 ( -1.846 -0.184 6.279) 6.547 40.995 ( 7.660 5.715 -8.414) 12.733 ======================= Grid point 224 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 17.063 6.698 -0.326) 18.333 2.079 ( -11.527 -2.087 -3.832) 12.325 2.396 ( 9.349 13.026 11.999) 20.026 2.570 ( 2.379 1.463 3.584) 4.543 3.604 ( -8.639 16.042 -15.356) 23.828 4.424 ( -3.633 8.509 -0.611) 9.272 4.920 ( -7.468 19.261 -0.056) 20.658 6.059 ( -18.696 24.035 -13.701) 33.391 6.573 ( -13.587 3.267 4.142) 14.575 7.724 ( -26.086 -2.390 4.595) 26.595 8.242 ( -5.159 -9.089 9.473) 14.105 8.748 ( 11.799 -12.370 2.391) 17.261 9.037 ( -2.394 4.319 -1.761) 5.242 9.900 ( 22.173 8.262 5.455) 24.283 10.511 ( 17.031 8.220 2.705) 19.103 10.762 ( 9.131 -4.084 -4.490) 10.964 11.610 ( -21.256 -5.041 -7.642) 23.143 12.738 ( 3.275 -16.216 2.832) 16.784 17.305 ( 2.694 3.728 -3.216) 5.613 17.658 ( 3.780 3.259 0.490) 5.015 18.052 ( -13.580 0.959 -5.129) 14.547 18.885 ( 1.789 -2.541 2.836) 4.207 20.698 ( 0.176 -0.939 3.580) 3.705 20.812 ( 4.025 -3.331 0.346) 5.236 29.255 ( -2.770 -0.005 0.038) 2.771 29.601 ( 6.256 -5.821 -3.293) 9.158 36.153 ( 1.308 3.185 -1.195) 3.645 36.378 ( 2.173 2.126 2.417) 3.884 36.998 ( 4.019 0.682 2.174) 4.620 40.752 ( -16.484 5.536 -15.548) 23.326 ======================= Grid point 225 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -17.414 1.183 -0.844) 17.474 1.879 ( 11.934 7.404 0.390) 14.050 2.426 ( -5.635 -0.156 0.999) 5.725 2.833 ( 7.016 6.373 14.158) 17.038 3.642 ( -1.356 22.828 -13.551) 26.581 4.233 ( -19.605 0.159 -1.867) 19.694 5.196 ( -1.813 39.186 -2.959) 39.339 5.951 ( -19.656 28.072 -10.450) 35.828 6.385 ( -14.219 14.192 1.071) 20.118 7.364 ( -14.565 -4.524 6.021) 16.397 8.134 ( 1.234 -16.780 10.193) 19.672 8.795 ( 10.072 -14.291 2.388) 17.646 9.070 ( -6.147 16.331 -1.164) 17.489 10.112 ( 3.400 4.177 -1.758) 5.666 10.879 ( 8.378 1.536 -2.423) 8.855 10.911 ( -5.604 -15.345 9.834) 19.068 11.182 ( 4.291 -2.823 -12.090) 13.136 12.742 ( 16.910 -11.933 2.530) 20.850 17.386 ( 3.096 7.078 -7.285) 10.619 17.724 ( -2.410 -4.744 2.221) 5.766 17.835 ( -7.047 4.531 -0.091) 8.378 18.871 ( -2.684 -0.416 0.352) 2.739 20.708 ( 0.167 -1.627 3.812) 4.148 20.840 ( 3.415 -3.914 0.285) 5.202 29.229 ( 0.390 -1.395 0.531) 1.543 29.621 ( 5.933 -6.548 -4.118) 9.749 36.212 ( 1.845 3.747 0.034) 4.177 36.359 ( -6.351 -0.319 0.693) 6.397 37.099 ( 1.741 2.375 3.732) 4.754 40.505 ( -10.067 12.201 -18.401) 24.265 ======================= Grid point 226 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -20.548 8.794 7.912) 23.709 2.013 ( -0.394 2.805 -0.981) 2.998 2.315 ( -5.892 -2.620 0.095) 6.449 2.993 ( -2.182 2.705 13.422) 13.864 3.593 ( -16.927 -0.801 -11.494) 20.476 4.059 ( -3.994 16.156 -4.033) 17.124 5.267 ( -25.399 27.450 -2.357) 37.473 5.727 ( -19.985 18.716 -10.309) 29.257 6.632 ( 4.321 35.327 -1.280) 35.613 7.296 ( 5.433 6.324 5.112) 9.780 8.078 ( 7.774 -21.248 11.181) 25.237 8.842 ( 4.872 -6.803 2.864) 8.844 9.135 ( -3.770 17.221 0.535) 17.637 10.144 ( -8.744 -9.421 -6.054) 14.208 10.324 ( -18.433 -14.514 5.703) 24.144 10.920 ( -3.231 -4.017 -0.633) 5.194 11.418 ( 17.736 2.972 -6.899) 19.261 13.095 ( 31.081 -10.112 0.780) 32.694 17.402 ( -4.651 2.934 -9.743) 11.187 17.555 ( -6.491 -0.485 2.429) 6.948 17.909 ( 3.562 2.135 4.086) 5.826 18.813 ( -4.130 2.017 0.044) 4.597 20.714 ( 0.138 -1.488 3.541) 3.843 20.853 ( 2.560 -4.128 0.323) 4.868 29.246 ( 3.089 -1.747 0.425) 3.574 29.630 ( 4.835 -6.097 -4.401) 8.940 36.197 ( -8.618 -2.363 1.835) 9.123 36.294 ( 0.539 5.718 -1.581) 5.957 37.054 ( -9.376 -3.737 5.049) 11.286 40.526 ( 4.039 21.235 -17.763) 27.977 ======================= Grid point 227 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -16.346 12.007 14.813) 25.115 1.986 ( -2.504 2.738 -1.581) 4.033 2.198 ( -4.905 -2.218 0.815) 5.445 2.942 ( -10.505 -1.033 10.753) 15.068 3.163 ( -15.705 -10.857 -14.619) 24.046 4.090 ( -6.962 7.776 0.204) 10.439 5.150 ( -11.156 22.117 -3.235) 24.981 5.675 ( -5.058 24.229 -10.518) 26.894 6.828 ( -4.960 10.893 0.973) 12.009 7.724 ( 13.859 28.718 3.706) 32.102 8.110 ( 13.753 -19.933 9.604) 26.052 8.839 ( -5.519 5.702 1.942) 8.170 9.273 ( -0.190 4.360 2.550) 5.054 9.477 ( -24.716 -19.235 3.060) 31.468 10.318 ( 4.511 -3.897 -2.176) 6.346 10.763 ( -4.572 -5.636 -2.235) 7.594 11.763 ( 17.614 13.255 -5.288) 22.670 13.362 ( 13.696 -17.812 -2.445) 22.602 17.296 ( -0.883 -1.689 -0.632) 2.008 17.482 ( -7.182 3.926 -4.526) 9.353 17.977 ( 1.210 0.354 2.125) 2.471 18.811 ( -0.165 4.122 2.122) 4.639 20.720 ( 0.075 -1.007 2.735) 2.916 20.848 ( 1.227 -3.942 0.401) 4.148 29.295 ( 3.690 -0.332 -0.009) 3.705 29.608 ( 1.518 -5.791 -3.898) 7.144 36.062 ( -5.841 0.650 0.381) 5.889 36.344 ( 0.918 2.076 -0.191) 2.278 36.836 ( -11.206 -6.666 5.211) 14.041 40.782 ( 7.959 23.192 -14.125) 28.297 ======================= Grid point 228 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 4.430 0.151 11.088) 11.941 2.006 ( 0.550 1.431 -0.148) 1.540 2.212 ( 5.595 7.335 4.287) 10.172 2.734 ( -6.664 -11.532 -8.571) 15.839 2.918 ( 2.982 -4.420 0.900) 5.407 4.072 ( -0.721 3.365 3.089) 4.624 5.224 ( 1.447 12.346 -3.363) 12.877 5.887 ( 2.769 29.753 -7.629) 30.840 6.794 ( -7.425 3.249 2.874) 8.599 8.063 ( 2.972 6.325 5.181) 8.699 8.209 ( 5.472 -14.401 4.472) 16.041 8.658 ( -16.814 -5.384 0.678) 17.668 9.043 ( -5.877 17.114 -0.110) 18.095 9.522 ( 9.447 -0.756 7.118) 11.852 10.242 ( -0.704 -12.317 -1.753) 12.461 10.745 ( 7.843 -2.470 -3.978) 9.134 12.152 ( 10.371 21.773 -4.630) 24.558 13.149 ( -12.557 -23.126 -2.694) 26.453 17.296 ( -6.660 -0.059 -0.689) 6.696 17.420 ( 7.771 1.839 -1.286) 8.088 17.991 ( -0.310 0.459 -0.323) 0.641 18.874 ( 1.047 2.458 2.678) 3.783 20.722 ( -0.198 -0.651 1.552) 1.694 20.824 ( -0.105 -3.112 0.324) 3.130 29.351 ( 1.726 1.943 0.157) 2.604 29.528 ( -2.490 -5.084 -2.907) 6.364 36.039 ( 1.130 2.064 0.040) 2.353 36.372 ( 4.158 -2.803 0.467) 5.037 36.671 ( -5.445 -3.706 4.180) 7.801 41.005 ( 0.578 18.610 -9.266) 20.798 ======================= Grid point 229 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 19.706 -7.588 0.298) 21.118 2.034 ( 2.581 1.165 0.327) 2.851 2.326 ( -1.451 -4.283 0.961) 4.623 2.790 ( 25.255 2.527 -6.565) 26.216 3.060 ( 13.911 -1.475 8.230) 16.231 4.193 ( 11.280 1.548 3.304) 11.856 5.442 ( 16.093 9.000 -1.764) 18.523 6.175 ( 3.925 21.642 -3.480) 22.268 6.693 ( -8.326 1.413 2.888) 8.925 7.803 ( -16.571 -26.693 2.866) 31.549 8.191 ( -9.829 20.910 1.136) 23.133 8.576 ( 5.417 -5.542 0.109) 7.751 9.143 ( -5.694 13.034 -2.062) 14.372 9.688 ( 10.572 -6.974 7.954) 14.956 10.189 ( 6.987 -3.431 -0.174) 7.785 10.854 ( 12.159 -7.322 -4.299) 14.830 12.348 ( -16.643 15.641 -6.444) 23.731 12.632 ( -15.368 -13.102 0.796) 20.211 17.189 ( -3.728 2.785 -1.204) 4.807 17.641 ( 13.431 -0.200 2.885) 13.739 17.970 ( -1.751 -0.143 -1.991) 2.655 18.894 ( -0.595 -1.068 1.209) 1.720 20.715 ( -0.523 -0.602 0.397) 0.891 20.793 ( -0.914 -1.633 0.091) 1.873 29.358 ( -3.685 -1.017 0.839) 3.914 29.437 ( -2.369 1.071 -1.795) 3.160 36.112 ( 5.252 0.040 0.095) 5.253 36.492 ( 13.937 -2.203 0.712) 14.128 36.606 ( -2.155 -1.291 2.271) 3.386 41.039 ( -9.672 11.582 -4.122) 15.642 ======================= Grid point 230 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 14.279 -9.519 -8.179) 19.010 2.122 ( 5.177 3.712 -0.823) 6.423 2.279 ( 0.309 -5.069 5.639) 7.589 3.068 ( 9.163 -5.194 -7.345) 12.840 3.496 ( 27.972 5.945 9.490) 30.130 4.481 ( 17.601 -0.523 3.982) 18.053 5.952 ( 37.777 4.003 -1.465) 38.017 6.323 ( 2.301 -4.191 4.053) 6.268 6.664 ( -1.775 16.344 -1.308) 16.492 7.310 ( -18.891 -14.273 -0.345) 23.679 8.180 ( -16.961 17.931 0.202) 24.683 8.489 ( -6.926 -16.631 0.162) 18.016 9.166 ( 2.228 12.148 -2.536) 12.608 9.841 ( 12.482 -7.357 6.275) 15.789 10.365 ( 9.972 3.063 0.691) 10.455 10.947 ( 11.401 -9.608 -3.710) 15.364 11.799 ( -35.090 -6.092 0.950) 35.627 12.503 ( -12.347 9.830 -5.131) 16.595 17.248 ( 5.025 6.791 0.639) 8.472 17.798 ( 1.421 -2.216 6.351) 6.875 17.933 ( 2.873 -2.423 -5.121) 6.352 18.867 ( -0.055 -2.281 -0.221) 2.292 20.700 ( -0.422 -0.756 -0.461) 0.981 20.765 ( -1.489 -0.099 -0.055) 1.493 29.264 ( -3.698 -2.735 0.279) 4.607 29.424 ( -4.003 5.246 0.097) 6.599 36.183 ( 4.061 -2.060 -0.282) 4.562 36.596 ( 2.200 -2.831 2.444) 4.339 36.775 ( 18.112 2.511 -1.130) 18.320 40.895 ( -14.910 5.475 0.549) 15.892 ======================= Grid point 231 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 10.751 -4.988 -4.398) 12.641 2.238 ( 0.256 2.768 0.552) 2.834 2.280 ( 4.923 -3.275 3.624) 6.935 2.991 ( -4.412 -8.428 -7.149) 11.900 4.024 ( 23.078 2.851 6.763) 24.217 4.701 ( 10.780 -8.790 3.316) 14.299 6.231 ( 6.308 -18.380 3.611) 19.765 6.624 ( 21.251 9.019 -3.885) 23.410 6.854 ( -15.430 12.118 -0.623) 19.629 7.081 ( 28.887 -0.685 -0.831) 28.907 7.745 ( -24.727 -30.993 -2.745) 39.743 8.312 ( -14.985 20.114 3.866) 25.379 9.379 ( 8.318 5.745 -0.321) 10.114 10.072 ( 15.278 6.533 2.832) 16.856 10.442 ( -5.436 -0.596 -0.126) 5.470 11.001 ( 4.851 -5.706 -1.690) 7.678 11.280 ( -21.841 -1.924 1.579) 21.982 12.318 ( -11.367 3.740 -4.892) 12.928 17.428 ( 4.550 8.586 0.072) 9.717 17.744 ( -4.936 -3.265 4.366) 7.354 17.966 ( 7.163 -4.539 -1.758) 8.660 18.857 ( 0.626 -1.271 -0.538) 1.515 20.687 ( 0.268 -0.799 -1.000) 1.308 20.740 ( -2.127 0.876 0.002) 2.301 29.214 ( 0.212 -1.435 -0.091) 1.454 29.396 ( -5.726 5.767 0.779) 8.164 36.201 ( 0.665 -1.095 -1.183) 1.744 36.642 ( 5.457 -5.213 3.119) 8.165 37.040 ( 10.136 1.678 -2.669) 10.615 40.729 ( -9.401 3.863 3.682) 10.809 ======================= Grid point 232 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 7.872 -0.528 1.223) 7.984 2.154 ( -5.961 -8.182 5.499) 11.520 2.409 ( 6.425 4.012 -2.453) 7.962 2.729 ( -10.737 -10.978 -7.135) 16.932 4.294 ( 3.513 -5.527 9.810) 11.796 4.753 ( 11.330 -13.031 -2.963) 17.520 6.121 ( -4.322 -23.103 1.520) 23.553 6.544 ( -12.570 -0.072 -4.837) 13.469 6.980 ( -16.214 -6.542 0.455) 17.490 7.075 ( 6.027 6.659 -1.455) 9.099 7.760 ( 42.287 -7.072 -2.003) 42.921 8.329 ( -11.473 23.986 4.006) 26.888 9.445 ( 2.107 -10.580 2.507) 11.076 10.147 ( -24.212 0.019 -5.257) 24.776 10.489 ( 13.637 15.421 1.786) 20.663 10.925 ( -11.511 -7.916 -1.589) 14.060 11.114 ( 7.383 4.714 1.859) 8.955 12.254 ( 1.293 4.422 -0.818) 4.679 17.488 ( -4.455 6.254 -1.504) 7.825 17.649 ( -2.870 -7.171 2.148) 8.017 18.121 ( 12.770 1.800 1.769) 13.017 18.831 ( -2.004 -2.213 -0.507) 3.028 20.685 ( 1.198 -0.828 -1.219) 1.899 20.712 ( -2.486 1.369 0.257) 2.849 29.243 ( 4.473 -0.298 -0.847) 4.563 29.363 ( -5.614 6.293 1.157) 8.512 36.188 ( -0.583 -0.135 -0.841) 1.032 36.669 ( 2.847 -8.728 1.843) 9.364 37.076 ( -2.879 -2.326 -2.151) 4.281 40.745 ( 2.436 7.276 3.653) 8.498 ======================= Grid point 233 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -8.623 -19.219 3.123) 21.295 2.196 ( 0.568 3.300 6.851) 7.626 2.387 ( -9.596 -14.443 -5.941) 18.329 2.521 ( 3.511 4.346 -2.145) 5.985 4.183 ( -8.253 -11.632 6.663) 15.742 4.785 ( 5.041 -10.690 -4.510) 12.650 5.560 ( -20.357 -31.770 -3.066) 37.857 6.393 ( -10.239 12.238 -8.108) 17.898 6.754 ( -3.645 0.274 5.687) 6.760 7.504 ( 19.963 16.078 4.171) 25.969 8.237 ( 24.826 -6.316 -0.879) 25.632 8.421 ( -5.529 20.348 1.122) 21.116 9.303 ( -7.740 -12.371 1.432) 14.663 9.644 ( -22.861 -12.048 -5.793) 26.483 10.591 ( -11.933 -2.023 -0.008) 12.103 10.742 ( 7.571 -9.253 -0.408) 11.963 11.522 ( 15.610 26.351 0.076) 30.627 12.390 ( 7.806 5.092 2.620) 9.681 17.441 ( -6.566 3.485 1.399) 7.564 17.544 ( -1.016 -6.008 -1.944) 6.396 18.365 ( 9.034 5.814 0.723) 10.767 18.749 ( -2.244 -5.659 0.488) 6.107 20.687 ( -2.089 1.509 0.634) 2.654 20.700 ( 2.054 -1.142 -0.849) 2.498 29.336 ( 6.944 0.002 -1.220) 7.051 29.348 ( -4.178 6.626 0.830) 7.877 36.174 ( -0.629 -0.230 0.076) 0.675 36.545 ( -5.730 -12.034 -1.272) 13.389 36.979 ( -2.715 -3.006 1.066) 4.189 40.930 ( 6.361 9.821 0.255) 11.704 ======================= Grid point 237 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 11.115 13.862 -4.567) 18.345 2.114 ( 4.913 -0.629 -3.992) 6.362 2.377 ( 11.856 11.866 11.568) 20.376 2.581 ( -1.602 -0.636 -1.811) 2.500 3.794 ( -6.071 11.023 -12.849) 17.985 4.508 ( 4.980 13.694 -1.367) 14.636 5.183 ( -1.957 16.478 3.840) 17.032 6.454 ( -12.446 13.845 -11.127) 21.689 6.718 ( -3.929 -5.367 4.825) 8.217 7.896 ( 8.611 -29.256 0.339) 30.499 8.188 ( -24.791 0.101 2.215) 24.890 8.643 ( 3.356 -1.984 1.046) 4.037 9.082 ( 0.461 3.954 -2.133) 4.516 9.573 ( 32.373 12.544 6.874) 35.392 10.464 ( 3.308 9.652 3.111) 10.666 10.640 ( 0.880 -0.699 -4.630) 4.764 11.913 ( -24.063 -8.923 0.624) 25.672 12.553 ( 2.968 -13.320 2.508) 13.875 17.279 ( 2.287 3.308 -3.226) 5.155 17.646 ( 1.594 1.199 2.541) 3.230 18.248 ( -11.572 3.781 -8.890) 15.075 18.801 ( 6.132 -4.158 4.768) 8.811 20.708 ( 0.618 -0.597 0.536) 1.013 20.728 ( 2.177 -1.677 1.523) 3.142 29.347 ( -6.524 1.361 0.929) 6.729 29.442 ( 4.264 -5.464 -1.776) 7.155 36.157 ( 1.180 2.237 -0.991) 2.716 36.374 ( 4.632 7.161 2.499) 8.887 36.911 ( 5.452 -0.784 -3.056) 6.299 40.995 ( -15.382 0.012 -3.367) 15.746 ======================= Grid point 238 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 14.341 14.581 -2.792) 20.641 2.024 ( -7.528 0.309 -1.225) 7.633 2.513 ( -4.543 -1.419 0.006) 4.759 2.794 ( 12.818 6.767 10.888) 18.129 3.821 ( -1.610 20.004 -10.678) 22.733 4.559 ( -13.543 8.381 -1.095) 15.964 5.497 ( 5.148 35.782 -0.999) 36.165 6.392 ( -6.682 25.853 -8.677) 28.077 6.634 ( -5.890 -0.101 2.874) 6.555 7.714 ( -16.608 -11.988 3.055) 20.710 7.785 ( -2.507 -25.190 3.887) 25.611 8.623 ( 1.517 -9.332 1.879) 9.640 9.170 ( 4.125 9.497 -5.215) 11.594 10.113 ( 13.649 8.954 1.364) 16.381 10.609 ( 7.705 -0.954 -2.986) 8.318 10.815 ( 15.310 10.152 4.749) 18.974 11.336 ( -27.368 -18.001 0.207) 32.759 12.474 ( 4.029 -13.443 2.950) 14.341 17.355 ( 3.577 6.321 -6.769) 9.928 17.700 ( 1.974 -1.532 5.454) 5.999 18.039 ( -12.134 2.910 -5.369) 13.584 18.861 ( 2.491 -2.203 2.259) 4.020 20.711 ( -0.012 -0.613 1.546) 1.663 20.757 ( 2.916 -2.742 0.675) 4.059 29.264 ( -4.613 0.124 1.162) 4.759 29.447 ( 5.133 -6.570 -2.774) 8.786 36.208 ( 2.397 1.792 0.469) 3.030 36.471 ( -3.476 6.573 0.561) 7.456 37.043 ( 8.955 3.406 -0.645) 9.602 40.703 ( -14.425 0.830 -6.813) 15.975 ======================= Grid point 239 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -9.770 5.924 5.304) 12.597 1.999 ( 5.274 6.308 -2.744) 8.668 2.394 ( -6.696 -3.871 0.502) 7.751 3.045 ( 6.156 3.712 8.259) 10.949 3.869 ( -13.508 9.508 -4.867) 17.221 4.352 ( -15.447 14.838 -3.252) 21.664 5.743 ( -7.366 23.345 -6.182) 25.248 6.379 ( -33.479 17.998 -3.101) 38.136 6.808 ( 9.072 31.151 -3.110) 32.594 7.336 ( -5.405 2.463 2.927) 6.622 7.659 ( 14.031 -36.658 9.617) 40.412 8.602 ( 8.760 -12.729 -0.128) 15.453 9.289 ( 1.192 9.495 -4.436) 10.548 10.211 ( -7.744 -0.126 -3.680) 8.575 10.580 ( -13.413 -15.820 9.344) 22.748 10.924 ( 0.020 3.431 -1.773) 3.862 11.127 ( 12.124 2.636 -4.816) 13.309 12.575 ( 20.257 -9.386 4.284) 22.733 17.414 ( 0.710 4.479 -10.200) 11.163 17.667 ( -5.991 -3.284 3.807) 7.821 17.943 ( -1.667 4.545 3.098) 5.747 18.864 ( -1.173 -0.482 0.600) 1.403 20.713 ( 0.193 -0.910 1.593) 1.845 20.778 ( 2.578 -2.736 0.310) 3.772 29.220 ( -0.896 -0.443 0.976) 1.397 29.464 ( 5.738 -5.640 -3.179) 8.651 36.250 ( 0.349 -1.585 2.204) 2.737 36.424 ( -7.751 8.348 -2.111) 11.585 37.146 ( -1.700 -1.090 2.321) 3.076 40.563 ( -0.776 8.003 -8.408) 11.634 ======================= Grid point 240 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -12.986 5.650 7.260) 15.915 2.067 ( -1.738 6.603 0.548) 6.850 2.247 ( -5.158 -4.574 0.366) 6.904 3.116 ( -4.603 0.146 2.940) 5.464 3.464 ( -31.296 -1.910 -1.257) 31.379 4.313 ( -9.469 11.314 -1.825) 14.866 5.703 ( -28.998 20.279 -2.976) 35.510 5.932 ( -13.712 14.776 -9.650) 22.349 6.940 ( -1.396 2.661 -0.400) 3.032 7.635 ( 16.850 -30.400 10.884) 36.421 7.818 ( 17.578 35.750 3.509) 39.992 8.657 ( 13.332 -15.355 -0.274) 20.338 9.338 ( -0.151 2.968 -3.719) 4.760 9.758 ( -24.353 -16.070 -2.235) 29.263 10.413 ( -10.236 5.320 6.599) 13.290 10.854 ( -10.125 0.231 -0.585) 10.145 11.484 ( 26.357 11.694 -7.583) 29.815 12.880 ( 22.641 -14.297 2.423) 26.887 17.325 ( -4.997 -2.319 -4.536) 7.136 17.602 ( -4.168 4.369 -1.550) 6.234 17.998 ( -0.293 1.923 5.132) 5.488 18.848 ( -0.644 1.137 0.724) 1.494 20.716 ( 0.421 -0.959 1.076) 1.501 20.792 ( 1.891 -2.468 0.208) 3.115 29.241 ( 2.831 0.546 0.635) 2.952 29.487 ( 4.490 -4.739 -2.953) 7.165 36.183 ( -6.480 -0.715 1.058) 6.604 36.408 ( -3.591 7.611 -1.419) 8.534 36.981 ( -12.135 -8.345 3.619) 15.166 40.736 ( 11.460 13.727 -7.089) 19.236 ======================= Grid point 241 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -18.980 -2.755 0.919) 19.201 2.049 ( -4.672 -0.509 0.693) 4.750 2.245 ( 2.823 6.753 4.409) 8.544 2.865 ( -22.214 -5.250 -9.474) 24.714 3.020 ( -15.502 0.750 9.019) 17.951 4.196 ( -9.759 1.629 3.575) 10.520 5.391 ( -14.084 8.137 -5.382) 17.133 6.056 ( 2.517 21.794 -5.468) 22.610 6.916 ( -3.642 -1.543 3.940) 5.582 7.718 ( 17.057 -20.985 6.728) 27.867 8.300 ( 1.962 19.236 3.349) 19.623 8.685 ( 6.139 -18.259 0.457) 19.269 9.215 ( -9.391 1.230 0.055) 9.471 9.465 ( 1.318 1.714 -8.220) 8.500 10.263 ( -11.270 -4.440 5.957) 13.499 10.737 ( -6.097 6.190 -1.809) 8.874 12.055 ( 24.856 22.306 -5.081) 33.781 12.957 ( 6.097 -22.568 -0.379) 23.380 17.269 ( 2.563 -1.555 1.517) 3.360 17.519 ( -9.648 4.395 -3.622) 11.204 18.015 ( -1.173 0.886 3.331) 3.641 18.873 ( 1.449 0.413 0.840) 1.725 20.717 ( 0.403 -0.984 0.201) 1.082 20.795 ( 0.877 -1.810 0.086) 2.013 29.322 ( 4.350 2.307 0.607) 4.962 29.482 ( 1.302 -3.532 -2.116) 4.319 36.091 ( -4.666 1.610 0.321) 4.946 36.383 ( -5.171 2.871 -1.219) 6.038 36.736 ( -7.293 -8.235 3.811) 11.641 41.033 ( 10.005 12.546 -3.763) 16.483 ======================= Grid point 242 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.199 -9.990 -5.459) 11.387 1.998 ( 1.165 -1.484 -1.882) 2.665 2.306 ( -3.285 -6.592 -0.718) 7.400 2.597 ( 0.966 6.394 -1.624) 6.667 2.978 ( 1.045 5.343 12.253) 13.408 4.128 ( -0.283 -1.333 4.314) 4.525 5.333 ( 2.412 2.190 -2.587) 4.160 6.257 ( 2.894 9.673 -1.005) 10.146 6.832 ( -4.971 -3.876 4.612) 7.811 7.790 ( 0.391 -6.402 1.298) 6.544 8.306 ( -1.995 -4.372 1.387) 5.002 8.610 ( -1.811 2.499 -0.583) 3.141 9.222 ( -0.067 1.120 -0.760) 1.355 9.493 ( 9.215 -8.861 -7.299) 14.721 10.140 ( -2.956 2.664 6.853) 7.925 10.714 ( -1.541 2.842 -1.967) 3.784 12.583 ( 6.896 20.302 -4.850) 21.983 12.681 ( -7.055 -16.355 -0.298) 17.814 17.290 ( -5.676 0.056 -0.565) 5.705 17.470 ( 7.256 2.457 2.412) 8.032 18.013 ( -2.351 1.053 2.101) 3.325 18.880 ( 0.219 -2.783 -0.595) 2.854 20.710 ( 0.085 -1.341 -0.736) 1.532 20.791 ( 0.011 -0.327 -0.169) 0.368 29.383 ( -0.407 -1.788 0.015) 1.834 29.474 ( 0.593 4.005 -0.113) 4.051 36.068 ( 0.067 0.281 0.472) 0.553 36.338 ( 1.631 -0.395 -0.177) 1.688 36.633 ( -1.617 -3.183 1.616) 3.918 41.209 ( -0.130 7.496 0.345) 7.505 ======================= Grid point 243 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 18.984 -12.228 -10.524) 24.913 2.043 ( 5.639 0.133 -2.114) 6.024 2.235 ( 2.786 -5.491 4.894) 7.866 2.762 ( 13.979 -1.934 -7.978) 16.211 3.271 ( 14.822 9.679 15.038) 23.227 4.231 ( 12.180 -2.120 5.409) 13.494 5.471 ( 17.037 -5.644 -0.246) 17.949 6.259 ( -1.267 -12.970 6.278) 14.465 6.798 ( 0.329 5.252 -2.383) 5.777 7.603 ( -19.382 7.825 -1.016) 20.927 8.226 ( -1.705 -21.177 -0.672) 21.256 8.649 ( -6.120 15.146 -1.910) 16.447 9.210 ( 5.387 2.486 -0.412) 5.947 9.535 ( 14.897 -15.892 -4.273) 22.198 10.270 ( 4.144 7.822 6.806) 11.166 10.725 ( 4.329 -1.159 -2.431) 5.099 12.166 ( -21.452 -18.226 1.914) 28.214 12.858 ( -10.384 25.717 -6.745) 28.542 17.235 ( 0.962 2.703 -0.614) 2.934 17.677 ( 10.836 -1.247 4.701) 11.877 17.967 ( -5.377 0.442 2.019) 5.760 18.833 ( -0.054 -4.060 -1.848) 4.461 20.688 ( -0.086 -1.732 -1.515) 2.303 20.789 ( -0.740 1.344 -0.321) 1.567 29.309 ( -4.195 -2.298 -0.155) 4.786 29.538 ( -1.538 7.416 1.166) 7.663 36.093 ( 3.627 -1.975 0.419) 4.151 36.440 ( 9.352 -4.359 2.208) 10.552 36.638 ( 4.273 4.050 -2.041) 6.232 41.172 ( -10.769 2.295 4.537) 11.909 ======================= Grid point 244 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 20.887 -6.605 -4.860) 22.439 2.149 ( 7.985 -0.440 -1.544) 8.144 2.265 ( 0.370 -2.504 4.959) 5.567 2.840 ( 6.096 -8.692 -11.590) 15.718 3.727 ( 21.539 6.542 10.992) 25.051 4.457 ( 11.534 -8.750 8.085) 16.582 5.752 ( 28.126 -20.516 -0.063) 34.814 6.200 ( 11.410 -11.629 6.134) 17.408 6.870 ( 4.734 2.082 -4.869) 7.103 7.396 ( -20.334 23.818 -3.475) 31.509 7.750 ( -17.718 -38.241 -0.193) 42.147 8.623 ( -7.704 9.606 -2.178) 12.504 9.379 ( 3.576 1.371 -0.770) 3.906 9.809 ( 28.087 8.295 -0.845) 29.299 10.370 ( 1.197 -3.863 4.528) 6.071 10.845 ( 9.225 2.459 -0.629) 9.568 11.677 ( -23.367 -8.238 4.369) 25.159 12.697 ( -26.113 16.862 -8.752) 32.292 17.374 ( 9.370 5.831 -0.627) 11.054 17.790 ( 5.679 -6.906 2.336) 9.241 17.873 ( -7.603 -0.405 4.180) 8.685 18.817 ( 2.319 -1.188 -1.284) 2.905 20.663 ( 0.284 -1.677 -1.998) 2.624 20.785 ( -1.665 2.277 -0.264) 2.833 29.228 ( -3.168 -0.783 -0.129) 3.266 29.561 ( -5.118 7.839 1.494) 9.480 36.145 ( 3.939 -0.971 -1.191) 4.228 36.501 ( 5.347 -8.653 4.710) 11.210 36.851 ( 13.188 6.207 -4.663) 15.303 40.993 ( -14.121 0.510 8.241) 16.357 ======================= Grid point 245 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 16.303 -0.527 1.487) 16.379 2.179 ( -3.334 -10.923 6.942) 13.365 2.309 ( 7.069 4.444 -4.912) 9.687 2.690 ( -3.821 -11.453 -13.063) 17.789 4.170 ( 17.177 2.457 10.731) 20.402 4.444 ( 3.290 -20.506 5.492) 21.482 5.858 ( 9.553 -25.161 -0.189) 26.914 6.451 ( 18.603 -13.570 1.126) 23.055 6.863 ( -0.328 -27.071 -0.965) 27.090 7.215 ( 6.239 -7.042 -3.528) 10.048 7.409 ( -10.788 33.480 -4.351) 35.443 8.591 ( -4.142 6.230 -0.894) 7.534 9.369 ( 1.736 -9.669 0.113) 9.825 10.282 ( 0.201 -6.245 -3.661) 7.242 10.421 ( 14.761 18.402 3.415) 23.837 10.974 ( 1.998 -0.582 2.433) 3.201 11.298 ( -19.806 4.133 4.765) 20.786 12.396 ( -15.730 10.841 -6.252) 20.101 17.523 ( 2.182 2.555 -5.010) 6.033 17.746 ( -9.583 -2.777 8.425) 13.058 17.886 ( 14.652 -3.074 1.084) 15.011 18.840 ( 0.043 0.357 -0.745) 0.827 20.648 ( 0.989 -1.454 -2.157) 2.783 20.774 ( -2.487 2.637 -0.063) 3.625 29.200 ( 0.298 0.399 -0.308) 0.586 29.544 ( -6.718 8.069 1.655) 10.629 36.177 ( 1.296 0.310 -2.116) 2.501 36.528 ( 4.921 -9.499 4.542) 11.623 37.020 ( 4.969 -0.038 -5.574) 7.467 40.879 ( -6.387 4.419 10.318) 12.914 ======================= Grid point 246 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -10.020 -16.476 2.943) 19.506 2.130 ( 8.939 -3.329 1.960) 9.738 2.395 ( -9.221 -12.163 -9.241) 17.843 2.456 ( 6.701 3.868 -3.422) 8.461 4.192 ( -3.897 -17.431 10.807) 20.876 4.544 ( 12.690 -3.609 -0.686) 13.211 5.483 ( -12.001 -37.733 -1.960) 39.644 6.480 ( 1.968 -0.085 -6.361) 6.659 6.706 ( 9.104 -15.852 9.978) 20.826 7.595 ( 6.519 23.994 -6.786) 25.773 7.615 ( 24.846 5.217 -2.879) 25.550 8.598 ( -0.404 3.226 -0.403) 3.276 9.267 ( -1.714 -11.384 0.558) 11.526 9.994 ( -22.898 -10.000 -5.923) 25.679 10.584 ( -3.676 -4.675 -1.653) 6.173 10.801 ( -11.853 -0.135 3.009) 12.230 11.515 ( 16.005 24.133 9.101) 30.355 12.381 ( 0.781 11.286 -2.421) 11.569 17.491 ( -0.817 -5.452 -2.384) 6.007 17.609 ( -8.585 1.833 3.362) 9.400 18.174 ( 17.434 0.578 2.777) 17.663 18.788 ( -5.292 -0.765 -1.900) 5.675 20.647 ( 1.738 -1.386 -1.956) 2.961 20.754 ( -2.910 2.575 0.258) 3.894 29.242 ( 3.932 0.913 -0.303) 4.048 29.519 ( -6.594 8.095 1.657) 10.571 36.177 ( -0.162 -0.052 -1.288) 1.299 36.491 ( -0.978 -10.480 1.914) 10.698 36.975 ( -2.056 -4.205 -4.895) 6.773 40.976 ( 2.382 9.250 9.257) 13.302 ======================= Grid point 249 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 4.562 18.511 -9.537) 21.317 1.903 ( 18.845 4.645 0.750) 19.423 2.376 ( 4.002 5.328 3.205) 7.394 2.556 ( 1.694 -2.729 -2.018) 3.793 3.862 ( 0.380 5.176 -8.128) 9.644 4.527 ( 9.086 17.913 -4.724) 20.634 5.305 ( 7.911 11.830 6.621) 15.696 6.522 ( 7.504 -10.434 -3.792) 13.400 6.638 ( 2.859 -6.818 4.212) 8.509 7.748 ( -16.851 -10.929 -7.318) 21.376 8.375 ( 14.140 -17.109 -4.908) 22.732 8.566 ( -14.032 0.447 0.367) 14.044 9.084 ( 18.736 6.986 8.268) 21.638 9.266 ( 9.654 17.288 0.522) 19.808 10.522 ( 0.789 4.306 5.274) 6.855 10.673 ( -4.114 6.665 -6.398) 10.113 12.086 ( -6.151 -19.832 5.737) 21.542 12.554 ( -15.924 -1.541 1.967) 16.119 17.268 ( 1.198 3.654 -2.084) 4.374 17.635 ( 1.828 -1.571 3.571) 4.309 18.388 ( -6.594 0.094 -10.237) 12.177 18.690 ( 5.557 0.706 3.911) 6.832 20.644 ( 3.138 -1.764 -0.138) 3.602 20.754 ( -2.204 0.958 1.015) 2.609 29.322 ( 1.897 -4.715 -0.583) 5.115 29.518 ( -9.286 2.399 1.860) 9.770 36.136 ( 1.755 -0.107 -1.246) 2.155 36.395 ( 5.170 10.818 2.852) 12.324 36.796 ( 3.902 -0.779 -6.627) 7.730 41.218 ( -12.975 -2.885 3.452) 13.733 ======================= Grid point 250 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 11.197 19.532 -6.598) 23.461 2.070 ( 1.289 0.691 -0.784) 1.659 2.522 ( 0.437 -3.112 -2.364) 3.932 2.670 ( 14.365 4.503 10.057) 18.104 3.942 ( 2.212 16.538 -8.526) 18.738 4.770 ( 0.024 14.505 -5.211) 15.413 5.713 ( 11.342 31.207 6.155) 33.770 6.528 ( 5.057 -3.668 -3.425) 7.125 6.650 ( 1.458 4.324 2.282) 5.102 7.365 ( -4.615 -23.413 -3.971) 24.191 8.208 ( -14.744 -7.058 -0.967) 16.374 8.469 ( -0.349 -12.438 1.945) 12.594 9.194 ( -0.957 12.572 -4.062) 13.247 9.831 ( 24.298 8.470 5.180) 26.249 10.598 ( 2.370 -0.002 -3.504) 4.230 10.745 ( 4.539 14.529 2.398) 15.409 11.597 ( -25.231 -24.935 5.696) 35.928 12.360 ( -2.764 -8.935 0.512) 9.366 17.335 ( 2.229 5.613 -3.441) 6.951 17.686 ( 2.412 -0.324 5.480) 5.996 18.199 ( -9.143 -0.426 -8.849) 12.731 18.797 ( 4.466 0.145 2.592) 5.166 20.678 ( 2.765 -1.582 0.080) 3.186 20.736 ( -1.101 -0.228 1.234) 1.669 29.304 ( 2.890 -5.207 -1.339) 6.103 29.389 ( -8.385 0.140 1.521) 8.523 36.172 ( 2.796 0.046 0.034) 2.797 36.601 ( -0.034 12.219 2.083) 12.395 36.881 ( 11.579 2.293 -4.685) 12.700 40.926 ( -16.855 -5.178 -0.234) 17.634 ======================= Grid point 251 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 7.416 10.774 -4.041) 13.689 2.073 ( -2.844 3.489 2.518) 5.158 2.444 ( -3.969 -4.941 -0.704) 6.376 2.956 ( 11.494 0.744 6.527) 13.239 4.104 ( -1.985 16.555 -3.343) 17.006 4.732 ( -13.980 10.167 -3.265) 17.592 6.045 ( -7.382 22.601 -2.253) 23.882 6.631 ( 7.995 -0.138 -0.330) 8.003 7.007 ( 16.911 36.312 1.472) 40.084 7.135 ( 9.028 -27.084 2.451) 28.654 7.727 ( -38.136 -0.758 -3.594) 38.313 8.295 ( 5.202 -26.178 1.759) 26.748 9.337 ( 2.561 13.496 -4.166) 14.355 10.197 ( 13.088 -0.830 -0.398) 13.120 10.493 ( -6.953 -11.604 -0.744) 13.548 11.017 ( 8.823 5.304 2.607) 10.620 11.085 ( -13.644 -5.873 3.039) 15.162 12.303 ( 6.021 -6.746 1.807) 9.221 17.390 ( 1.190 3.221 -4.797) 5.899 17.725 ( -1.740 -0.912 4.044) 4.496 18.043 ( -4.653 2.266 -2.609) 5.796 18.859 ( 1.619 0.111 1.051) 1.933 20.701 ( 1.275 -0.844 -0.132) 1.535 20.728 ( 0.709 -1.427 1.064) 1.916 29.275 ( -5.410 -0.387 1.135) 5.541 29.315 ( 4.660 -4.245 -1.772) 6.548 36.217 ( 2.522 -1.072 0.978) 2.910 36.626 ( -6.700 8.667 -1.011) 11.001 37.102 ( 8.363 2.532 -0.268) 8.742 40.648 ( -9.297 -1.231 -2.195) 9.632 ======================= Grid point 253 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -5.584 2.558 -2.777) 6.740 2.143 ( 3.058 7.374 3.426) 8.687 2.300 ( -6.891 -6.045 1.089) 9.231 3.110 ( 4.801 -2.187 0.216) 5.280 4.009 ( -25.415 6.617 5.727) 26.879 4.582 ( -11.830 10.251 -3.654) 16.074 6.078 ( -5.721 18.067 -5.360) 19.695 6.584 ( -35.131 9.381 -5.700) 36.806 7.007 ( -12.212 -7.586 0.999) 14.411 7.078 ( 14.842 -23.970 5.612) 28.746 7.866 ( 22.350 34.954 4.538) 41.736 8.215 ( 15.080 -23.920 -1.922) 28.342 9.392 ( -5.987 3.611 -0.363) 7.001 9.950 ( -18.021 -12.683 -2.720) 22.204 10.538 ( 5.961 -3.837 4.096) 8.187 11.058 ( -6.672 7.574 0.968) 10.140 11.126 ( 16.508 5.086 -6.093) 18.316 12.456 ( 16.177 -7.331 2.940) 18.002 17.349 ( -3.768 -2.935 -3.971) 6.211 17.687 ( -2.445 2.711 0.522) 3.688 18.059 ( -0.336 3.962 3.517) 5.309 18.868 ( -0.705 0.206 0.138) 0.748 20.702 ( 0.279 -0.943 -0.026) 0.984 20.743 ( 1.923 -1.252 0.193) 2.303 29.227 ( -0.510 0.092 0.704) 0.874 29.356 ( 5.079 -2.655 -1.629) 5.958 36.230 ( -0.359 -1.391 0.582) 1.550 36.583 ( -7.224 8.420 -0.716) 11.117 37.097 ( -7.637 -5.660 1.014) 9.559 40.639 ( 6.965 5.567 -1.693) 9.076 ======================= Grid point 254 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -13.739 -0.608 -4.940) 14.613 2.120 ( -7.290 -7.199 0.684) 10.268 2.273 ( 2.392 5.389 2.931) 6.585 3.046 ( -7.376 -3.593 -7.385) 11.039 3.570 ( -34.970 6.095 12.798) 37.734 4.443 ( -13.565 2.644 2.082) 13.976 5.845 ( -39.596 1.373 -7.328) 40.291 6.170 ( 0.672 13.722 -4.590) 14.485 6.888 ( 1.818 -18.630 9.955) 21.201 7.313 ( 19.602 2.113 0.794) 19.731 8.173 ( 18.872 -27.621 -0.670) 33.459 8.507 ( 6.341 21.168 1.429) 22.144 9.251 ( -3.692 -8.352 2.194) 9.391 9.608 ( -16.464 5.381 -6.830) 18.619 10.442 ( -10.187 -6.368 4.716) 12.906 10.981 ( -10.572 11.745 -2.286) 15.967 11.691 ( 36.930 15.386 -4.632) 40.274 12.611 ( 11.745 -14.887 1.079) 18.993 17.245 ( -1.519 -3.618 0.618) 3.972 17.681 ( -4.928 5.512 -1.763) 7.601 18.082 ( -2.662 1.642 4.601) 5.563 18.857 ( -0.037 -0.540 -0.713) 0.895 20.696 ( 0.478 -1.463 -0.606) 1.654 20.764 ( 1.491 -0.252 -0.215) 1.527 29.266 ( 4.024 0.699 0.347) 4.099 29.410 ( 3.881 -0.301 -0.660) 3.948 36.185 ( -4.151 0.345 -0.161) 4.168 36.542 ( -6.960 7.266 -0.933) 10.105 36.824 ( -13.265 -10.430 1.949) 16.987 40.902 ( 14.806 6.971 0.969) 16.394 ======================= Grid point 255 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -24.471 -3.253 -6.845) 25.617 1.954 ( -2.800 -6.553 -3.924) 8.135 2.305 ( -2.269 -3.372 -0.476) 4.092 2.772 ( -14.817 0.684 -6.505) 16.196 3.278 ( -17.645 11.692 18.174) 27.899 4.229 ( -12.067 -2.954 5.249) 13.486 5.386 ( -12.379 -2.779 -4.582) 13.489 6.264 ( 1.650 0.386 0.417) 1.746 6.774 ( 1.996 -19.885 8.646) 21.775 7.715 ( 15.473 19.884 -2.512) 25.320 8.176 ( 10.998 -25.588 0.149) 27.852 8.572 ( -3.477 0.033 -0.759) 3.559 9.174 ( 2.545 -16.741 -0.742) 16.950 9.414 ( -13.123 11.424 -6.982) 18.748 10.291 ( -5.390 3.329 5.078) 8.119 10.900 ( -11.187 10.147 -1.500) 15.178 12.413 ( 23.361 3.112 -2.451) 23.695 12.587 ( 9.224 0.913 -1.756) 9.434 17.269 ( 5.068 -1.320 3.659) 6.389 17.574 ( -11.168 4.019 -1.462) 11.959 18.078 ( -1.929 0.940 4.910) 5.358 18.836 ( 0.098 -3.237 -2.418) 4.042 20.682 ( 0.426 -2.080 -1.512) 2.607 20.787 ( 0.832 1.290 -0.425) 1.593 29.338 ( 3.552 -1.303 -0.483) 3.814 29.488 ( 3.268 5.189 1.396) 6.289 36.115 ( -4.469 0.305 0.238) 4.486 36.433 ( -10.833 3.972 -2.072) 11.722 36.619 ( -1.705 -6.768 2.340) 7.362 41.185 ( 10.046 3.169 4.604) 11.496 ======================= Grid point 256 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -7.649 -3.078 -5.002) 9.644 1.892 ( 6.237 -4.295 -8.898) 11.684 2.180 ( -2.689 -6.055 2.675) 7.145 2.621 ( -1.947 0.650 -5.089) 5.487 3.356 ( -0.987 13.037 17.714) 22.016 4.110 ( 0.755 -5.352 4.712) 7.170 5.253 ( 1.982 -8.557 -0.973) 8.837 6.177 ( -2.883 -20.064 8.841) 22.115 6.719 ( 5.534 -8.393 -1.053) 10.108 7.985 ( -8.701 3.141 1.079) 9.313 8.077 ( -1.590 -1.625 -3.755) 4.390 8.611 ( 16.906 -7.293 -3.320) 18.709 9.050 ( 9.861 -15.914 0.014) 18.721 9.247 ( -10.162 1.912 -8.027) 13.091 10.395 ( 1.707 13.649 6.406) 15.174 10.790 ( -9.751 5.692 -1.029) 11.338 12.227 ( -8.829 -20.057 0.602) 21.922 13.114 ( 10.911 29.334 -5.322) 31.746 17.290 ( -5.008 0.754 -0.587) 5.098 17.538 ( 5.962 0.217 4.646) 7.561 18.072 ( -3.404 0.413 5.741) 6.687 18.775 ( -0.131 -4.942 -3.709) 6.180 20.655 ( 0.282 -2.424 -2.351) 3.389 20.812 ( 0.095 2.797 -0.542) 2.850 29.340 ( -1.184 -1.135 -0.443) 1.699 29.617 ( 2.159 8.285 2.270) 8.857 36.056 ( -1.407 -2.024 1.128) 2.711 36.358 ( -0.712 2.477 -0.502) 2.626 36.593 ( 2.345 -1.421 -0.353) 2.765 41.305 ( -0.688 -1.893 8.583) 8.816 ======================= Grid point 257 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 16.643 -0.588 2.038) 16.777 1.963 ( 10.457 -4.050 -8.079) 13.821 2.206 ( 6.484 -2.969 3.908) 8.132 2.603 ( 4.205 -4.083 -8.418) 10.258 3.605 ( 8.799 8.579 12.032) 17.198 4.220 ( 13.456 -6.475 7.994) 16.938 5.218 ( 10.171 -20.385 1.457) 22.828 5.985 ( 2.063 -21.423 7.692) 22.855 6.735 ( 6.289 -8.716 -4.920) 11.820 7.656 ( -13.656 -32.299 0.431) 35.070 7.900 ( -17.802 15.105 -2.984) 23.537 8.743 ( 7.974 -8.061 -4.022) 12.030 9.058 ( 2.671 -14.368 -9.965) 17.688 9.475 ( 29.918 22.955 2.841) 37.817 10.511 ( -9.256 6.815 8.199) 14.119 10.774 ( 4.471 8.388 -1.379) 9.605 11.885 ( -13.143 -13.158 2.899) 18.822 13.278 ( -19.337 25.466 -7.959) 32.952 17.280 ( 4.446 2.851 -0.441) 5.301 17.649 ( 5.121 -5.259 1.718) 7.539 18.024 ( -6.282 -1.027 7.761) 10.038 18.744 ( 3.398 -2.070 -2.084) 4.492 20.625 ( 0.484 -2.281 -2.889) 3.713 20.834 ( -0.953 3.637 -0.521) 3.796 29.290 ( -3.875 0.575 -0.270) 3.927 29.713 ( -2.100 8.824 2.245) 9.345 36.062 ( 3.535 -1.375 0.452) 3.820 36.386 ( 2.470 -3.475 2.503) 4.944 36.696 ( 9.516 4.385 -3.366) 11.005 41.231 ( -9.524 -4.774 12.581) 16.485 ======================= Grid point 258 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 21.713 2.223 6.318) 22.722 2.051 ( 9.195 -7.653 -2.997) 12.333 2.264 ( 0.938 -0.031 -1.009) 1.378 2.539 ( 0.564 -8.242 -11.887) 14.476 3.941 ( 17.482 5.342 6.897) 19.538 4.311 ( 0.076 -17.859 14.170) 22.798 5.287 ( 24.462 -27.226 -1.220) 36.622 5.970 ( 15.790 -18.245 3.417) 24.370 6.626 ( 0.401 -27.945 -2.772) 28.085 7.150 ( -8.817 -14.484 -2.439) 17.131 7.820 ( -9.185 17.823 -3.716) 20.392 8.726 ( -6.537 7.981 -4.039) 11.079 8.979 ( 17.668 -28.067 -8.304) 34.188 10.235 ( 19.497 23.521 0.176) 30.552 10.412 ( -2.947 4.846 8.319) 10.069 10.957 ( 4.156 6.904 1.929) 8.286 11.600 ( -12.618 -4.668 4.938) 14.331 12.957 ( -35.105 19.544 -7.696) 40.909 17.453 ( 8.145 3.796 -2.259) 9.266 17.644 ( 6.656 -7.534 -0.317) 10.058 17.923 ( -8.681 -2.462 8.341) 12.288 18.812 ( 4.215 0.851 0.181) 4.304 20.602 ( 1.032 -1.866 -3.114) 3.775 20.842 ( -2.112 3.834 -0.341) 4.390 29.237 ( -3.290 1.878 -0.162) 3.792 29.740 ( -5.747 8.734 2.090) 10.662 36.126 ( 3.999 0.473 -1.738) 4.385 36.401 ( 3.282 -6.310 4.602) 8.472 36.882 ( 8.931 2.211 -5.552) 10.746 41.096 ( -9.130 -2.280 15.863) 18.445 ======================= Grid point 259 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 13.784 -3.072 -4.281) 14.757 1.960 ( -9.256 -14.831 3.982) 17.930 2.334 ( 5.583 0.640 -4.419) 7.149 2.366 ( -1.220 -5.168 -7.623) 9.290 4.109 ( -3.106 -21.126 9.664) 23.438 4.319 ( 15.666 1.865 7.856) 17.625 5.200 ( 1.646 -38.639 -2.407) 38.748 6.184 ( 25.229 -15.986 1.818) 29.923 6.374 ( 7.555 -21.785 0.001) 23.058 7.170 ( 15.836 3.432 -4.295) 16.763 7.877 ( -0.535 14.096 -4.856) 14.919 8.683 ( -7.360 11.928 -4.080) 14.598 8.971 ( 15.768 -25.005 -6.613) 30.292 10.148 ( -14.057 -4.779 -1.184) 14.895 10.739 ( -5.562 9.241 -1.272) 10.861 10.986 ( -7.197 1.058 4.676) 8.648 11.557 ( 6.086 9.891 11.010) 16.003 12.651 ( -17.684 22.394 -2.613) 28.654 17.449 ( -1.375 -4.228 -2.690) 5.196 17.771 ( -6.453 -1.574 1.561) 6.823 17.886 ( 16.221 -0.506 5.494) 17.134 18.845 ( -1.581 0.661 -1.192) 2.088 20.592 ( 1.661 -1.511 -2.975) 3.727 20.834 ( -3.041 3.571 -0.090) 4.691 29.227 ( -0.269 2.452 0.344) 2.491 29.724 ( -7.160 8.497 2.020) 11.294 36.161 ( 1.108 -0.077 -1.998) 2.286 36.414 ( 1.897 -5.825 3.343) 6.979 36.918 ( 0.558 -3.630 -7.176) 8.061 41.102 ( -1.201 4.194 16.436) 17.005 ======================= Grid point 262 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 2.967 14.390 -9.836) 17.681 1.678 ( 15.043 10.338 2.830) 18.471 2.341 ( 6.120 2.861 -2.650) 7.257 2.480 ( 0.840 -5.050 0.065) 5.120 3.832 ( 4.856 5.205 -2.764) 7.636 4.480 ( 13.145 15.642 -7.296) 21.696 5.189 ( 17.301 1.104 4.667) 17.953 6.103 ( 18.992 -18.761 0.653) 26.704 6.569 ( 8.421 -0.436 3.808) 9.252 7.689 ( 16.806 -29.951 -1.415) 34.373 8.047 ( -11.697 -10.452 -11.847) 19.658 8.595 ( 32.340 9.288 6.050) 34.187 8.807 ( -8.059 -10.168 4.045) 13.590 9.607 ( -10.048 39.138 -5.449) 40.773 10.592 ( -6.055 -3.664 4.806) 8.554 10.810 ( -5.571 11.071 -4.700) 13.255 11.927 ( 3.459 -14.458 1.108) 14.908 12.960 ( -29.011 -4.159 10.157) 31.018 17.292 ( -0.020 5.181 -1.083) 5.292 17.589 ( 2.701 -3.730 3.541) 5.809 18.304 ( 5.421 -6.646 -5.698) 10.296 18.725 ( -2.236 6.808 -2.248) 7.510 20.577 ( 3.126 -1.341 -0.177) 3.406 20.818 ( -3.747 1.377 0.400) 4.012 29.280 ( -1.330 -2.846 0.407) 3.168 29.718 ( -10.420 2.671 1.952) 10.933 36.097 ( 1.588 0.115 -1.806) 2.408 36.416 ( 4.353 6.542 1.790) 8.059 36.719 ( 2.192 2.427 -5.754) 6.618 41.390 ( -8.951 -3.970 3.867) 10.528 ======================= Grid point 263 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 8.601 18.314 -9.048) 22.164 2.017 ( 9.072 7.002 3.792) 12.071 2.431 ( 4.512 -3.243 -3.873) 6.773 2.524 ( 9.697 -2.013 7.605) 12.487 3.989 ( 5.435 15.170 -5.782) 17.120 4.775 ( 9.099 10.035 -10.344) 17.044 5.658 ( 27.107 14.413 6.651) 31.413 6.269 ( 14.564 -3.863 1.631) 15.155 6.687 ( 3.424 3.744 5.045) 7.155 7.429 ( -19.634 -14.324 -4.636) 24.742 7.827 ( 13.797 -31.454 -4.548) 34.647 8.569 ( -4.930 -0.049 0.432) 4.949 9.272 ( 17.302 4.113 6.348) 18.883 9.789 ( -3.741 32.728 -1.377) 32.970 10.506 ( 1.437 -4.693 -0.836) 4.979 10.876 ( -0.469 14.773 -3.424) 15.172 11.706 ( -12.858 -22.947 3.172) 26.494 12.457 ( -20.268 -11.336 4.457) 23.647 17.358 ( 0.508 5.690 0.191) 5.716 17.661 ( 4.543 1.651 4.574) 6.655 18.209 ( -2.043 -7.334 -9.947) 12.526 18.778 ( 1.260 4.441 0.779) 4.681 20.619 ( 3.024 -1.015 0.613) 3.248 20.774 ( -2.861 0.270 0.466) 2.912 29.232 ( -0.070 -3.537 -0.339) 3.554 29.562 ( -10.827 0.327 1.444) 10.928 36.129 ( 2.296 0.593 -0.374) 2.401 36.643 ( 13.364 6.977 -0.088) 15.076 36.749 ( -0.445 5.265 -2.256) 5.745 41.140 ( -15.209 -6.493 -0.117) 16.537 ======================= Grid point 264 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 8.039 11.699 -4.111) 14.778 2.148 ( -0.435 5.491 2.534) 6.063 2.417 ( 0.808 -4.722 -2.567) 5.435 2.755 ( 14.331 -4.429 7.098) 16.595 4.224 ( 4.800 18.297 -3.867) 19.307 4.861 ( 2.528 -0.122 -7.544) 7.957 6.198 ( 18.378 1.005 6.061) 19.378 6.522 ( 1.874 17.297 1.826) 17.494 6.876 ( -5.439 -12.801 0.744) 13.928 7.052 ( 11.702 22.426 -1.715) 25.354 7.705 ( 11.631 -36.496 0.126) 38.304 8.417 ( -20.889 1.357 -2.533) 21.086 9.415 ( 1.372 10.818 -2.595) 11.209 10.045 ( 3.481 10.235 3.131) 11.256 10.519 ( -0.949 -6.375 -2.064) 6.768 10.988 ( 1.150 8.743 -0.570) 8.836 11.200 ( -14.143 -19.624 4.584) 24.620 12.229 ( -1.942 -3.996 0.507) 4.472 17.400 ( -0.482 2.091 1.122) 2.421 17.763 ( 0.109 2.387 2.828) 3.702 18.073 ( -0.881 -1.565 -7.020) 7.246 18.837 ( 1.956 1.147 0.683) 2.368 20.660 ( 2.459 -0.515 0.531) 2.568 20.735 ( -1.778 -0.705 0.322) 1.939 29.221 ( 2.278 -1.894 -0.515) 3.007 29.396 ( -9.122 -0.813 0.782) 9.191 36.172 ( 2.329 -0.123 0.481) 2.381 36.753 ( -0.429 2.541 -3.228) 4.131 36.952 ( 11.917 6.118 2.252) 13.584 40.820 ( -14.810 -3.752 -1.536) 15.355 ======================= Grid point 265 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 1.691 6.873 -4.091) 8.175 2.168 ( -1.259 1.154 2.918) 3.381 2.351 ( -3.217 -2.744 1.243) 4.407 2.934 ( 10.879 -6.990 0.160) 12.933 4.369 ( -5.661 11.673 -0.123) 12.974 4.805 ( -6.360 -0.761 0.014) 6.406 6.321 ( -9.241 5.571 -3.877) 11.466 6.555 ( 9.811 -22.749 5.986) 25.488 6.772 ( 5.358 11.933 -1.712) 13.192 7.482 ( -3.645 -27.812 -1.247) 28.078 7.814 ( -0.824 22.903 0.600) 22.926 7.895 ( -2.379 5.773 0.071) 6.245 9.559 ( -2.643 7.956 -0.280) 8.388 10.055 ( -4.986 -11.990 0.775) 13.008 10.326 ( 2.195 0.447 -0.019) 2.240 11.020 ( -0.821 -3.464 -3.245) 4.817 11.128 ( 5.473 2.721 2.835) 6.738 12.257 ( 5.388 0.826 -0.039) 5.451 17.372 ( -3.893 -2.423 -0.005) 4.586 17.735 ( -1.411 -0.430 -0.035) 1.475 18.106 ( 1.456 6.000 0.028) 6.174 18.868 ( 0.972 -0.347 0.019) 1.032 20.691 ( 0.663 -0.114 -0.254) 0.719 20.710 ( 0.548 -1.004 0.247) 1.170 29.263 ( 2.367 -0.291 -0.223) 2.395 29.272 ( -3.449 -0.152 0.223) 3.460 36.204 ( 1.760 -0.663 0.007) 1.881 36.737 ( -3.554 2.651 -0.039) 4.434 37.108 ( 2.104 -2.191 0.038) 3.038 40.642 ( -3.778 2.562 -0.008) 4.565 ======================= Grid point 266 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -9.069 1.011 -6.527) 11.219 2.148 ( -3.155 -6.014 1.737) 7.010 2.324 ( -1.724 3.400 3.123) 4.928 2.972 ( 4.473 -7.881 -6.920) 11.402 4.221 ( -24.240 5.865 8.377) 26.309 4.657 ( -10.407 -0.722 3.002) 10.855 6.174 ( -3.997 -7.500 -6.617) 10.771 6.502 ( -10.082 -13.807 5.469) 17.949 6.708 ( -22.801 -10.263 -0.147) 25.005 7.213 ( 5.826 22.096 -2.627) 23.001 7.574 ( 13.263 -29.548 -0.062) 32.388 8.527 ( 15.471 18.915 1.640) 24.491 9.335 ( -14.212 -12.372 4.784) 19.440 9.938 ( -13.005 16.003 -4.121) 21.029 10.468 ( 4.123 -6.722 3.920) 8.807 11.114 ( 13.992 7.459 -7.025) 17.343 11.248 ( 12.060 4.155 0.975) 12.793 12.359 ( 6.870 -3.234 -0.791) 7.634 17.256 ( -4.280 -4.421 1.251) 6.279 17.753 ( 0.840 2.747 0.139) 2.876 18.162 ( -1.757 3.786 1.747) 4.525 18.860 ( -1.016 -0.739 -0.757) 1.467 20.675 ( -0.254 -1.458 -0.966) 1.767 20.740 ( 1.857 1.011 -0.129) 2.118 29.224 ( 0.450 -0.757 -0.323) 0.938 29.354 ( 4.453 3.220 0.873) 5.564 36.214 ( 0.106 -0.119 -1.216) 1.226 36.686 ( -4.869 -0.060 2.818) 5.626 36.975 ( -11.632 -4.967 -2.340) 12.863 40.751 ( 9.816 5.249 3.718) 11.736 ======================= Grid point 267 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -13.914 -0.246 -8.230) 16.168 1.971 ( -10.952 -6.950 0.604) 12.985 2.315 ( -2.448 -1.751 -0.324) 3.027 2.873 ( -3.408 -4.935 -9.703) 11.407 3.881 ( -28.202 9.042 14.942) 33.172 4.469 ( -13.739 -3.876 5.766) 15.396 5.661 ( -30.267 -13.668 -6.095) 33.765 6.241 ( -4.504 -5.173 2.728) 7.381 6.529 ( 5.797 -24.121 7.846) 26.019 7.538 ( 19.579 -17.913 -1.750) 26.595 7.706 ( 17.262 18.262 -4.496) 25.529 8.668 ( -4.786 -1.603 -3.280) 6.019 9.055 ( -7.727 -17.434 4.534) 19.601 9.813 ( -19.323 16.515 -2.509) 25.542 10.417 ( -3.382 2.688 4.153) 5.993 11.151 ( -7.517 8.088 -3.653) 11.630 11.905 ( 41.020 7.153 -1.480) 41.665 12.413 ( 7.803 -1.041 -2.435) 8.240 17.212 ( 1.596 -2.161 4.052) 4.862 17.760 ( -4.958 3.441 -0.590) 6.064 18.141 ( -3.166 -0.275 2.884) 4.291 18.815 ( -2.234 -1.729 -1.933) 3.423 20.649 ( -0.071 -1.879 -1.860) 2.645 20.783 ( 1.540 2.457 -0.393) 2.927 29.256 ( 4.027 -0.667 -0.717) 4.144 29.484 ( 4.818 6.343 2.424) 8.326 36.187 ( -2.959 0.589 -1.490) 3.365 36.601 ( -3.573 -8.091 4.523) 9.934 36.696 ( -15.755 3.506 -4.057) 16.643 41.028 ( 13.720 1.796 7.914) 15.941 ======================= Grid point 268 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -25.359 6.664 -1.183) 26.246 1.735 ( -2.774 -8.702 -9.322) 13.051 2.208 ( -5.113 -5.925 0.505) 7.842 2.700 ( -7.376 -0.915 -6.992) 10.205 3.698 ( -14.945 11.199 14.928) 23.909 4.190 ( -14.653 -7.360 6.805) 17.753 5.196 ( -8.051 -12.885 -3.478) 15.586 6.061 ( -4.249 -26.538 12.299) 29.556 6.474 ( 8.352 -15.990 -1.696) 18.119 7.650 ( 20.471 -25.415 -0.847) 32.645 8.123 ( 7.824 9.915 -8.806) 15.396 8.515 ( -9.916 4.404 -2.638) 11.166 8.765 ( 3.052 -19.948 3.748) 20.526 9.588 ( -21.507 11.632 -2.977) 24.631 10.519 ( 1.787 14.160 4.652) 15.011 11.045 ( -11.682 6.694 -2.065) 13.622 12.118 ( 0.748 -15.421 -0.952) 15.468 12.971 ( 33.781 25.827 -3.830) 42.695 17.290 ( 5.066 -0.694 4.031) 6.511 17.638 ( -11.429 3.082 0.352) 11.842 18.117 ( -0.051 -3.317 4.526) 5.611 18.735 ( -2.819 -3.057 -2.709) 4.963 20.617 ( -0.073 -2.128 -2.777) 3.499 20.832 ( 0.988 3.790 -0.570) 3.958 29.314 ( 3.124 0.111 -0.850) 3.239 29.653 ( 4.664 8.669 3.361) 10.402 36.108 ( -5.473 -1.220 0.438) 5.624 36.466 ( -5.599 0.599 -2.028) 5.985 36.560 ( -3.868 -0.317 1.395) 4.124 41.259 ( 8.106 -3.974 12.086) 15.085 ======================= Grid point 269 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -12.667 11.983 9.000) 19.623 1.655 ( 9.734 -6.737 -15.999) 19.903 2.112 ( 1.255 -4.868 3.486) 6.118 2.570 ( -4.274 -0.743 -4.134) 5.993 3.694 ( -3.940 5.624 7.856) 10.434 4.033 ( 2.358 -8.308 7.996) 11.769 5.000 ( -1.301 -17.207 0.705) 17.271 5.778 ( -1.588 -30.849 10.687) 32.686 6.428 ( 9.013 -23.745 -3.851) 25.689 7.579 ( -6.259 -25.525 0.650) 26.290 8.032 ( 11.633 -22.355 -7.731) 26.360 8.283 ( -6.459 -9.330 -4.401) 12.171 9.133 ( 15.178 12.049 1.003) 19.405 9.390 ( -7.122 25.166 -1.363) 26.189 10.736 ( 2.087 14.789 6.019) 16.102 10.888 ( -11.875 5.866 -1.661) 13.348 11.925 ( -6.002 -12.235 0.673) 13.644 13.592 ( 9.603 27.000 -6.845) 29.463 17.312 ( -3.648 1.990 -0.264) 4.164 17.561 ( 0.363 -2.081 3.598) 4.172 18.100 ( -0.962 -4.542 5.282) 7.032 18.670 ( 0.685 -2.484 -0.471) 2.620 20.581 ( 0.164 -2.076 -3.496) 4.070 20.878 ( 0.025 4.581 -0.661) 4.628 29.341 ( -0.623 1.865 -0.807) 2.126 29.815 ( 1.852 9.306 3.094) 9.980 36.033 ( -1.428 -1.628 1.693) 2.749 36.406 ( -4.435 2.719 -0.094) 5.203 36.575 ( 6.299 0.040 -0.680) 6.336 41.328 ( -1.037 -8.475 16.402) 18.491 ======================= Grid point 270 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 8.710 5.229 9.577) 13.962 1.737 ( 15.142 -4.647 -11.661) 19.669 2.190 ( 6.885 -1.690 1.698) 7.290 2.474 ( -3.728 -2.610 -4.414) 6.340 3.784 ( 9.387 1.376 1.967) 9.689 4.142 ( 11.456 -12.053 11.763) 20.369 4.781 ( 1.479 -26.699 3.677) 26.992 5.588 ( 7.870 -26.761 2.654) 28.020 6.227 ( 6.081 -42.472 -1.211) 42.922 7.168 ( -10.592 -14.584 -2.007) 18.136 7.992 ( -4.612 -2.874 -2.267) 5.888 8.203 ( 23.938 -28.506 -9.580) 38.437 9.060 ( -14.075 12.438 -4.417) 19.296 10.071 ( 29.420 32.447 5.195) 44.106 10.672 ( -15.262 4.428 4.428) 16.497 10.990 ( 4.473 12.509 1.712) 13.394 11.722 ( -7.846 -7.090 2.319) 10.826 13.659 ( -24.697 23.166 -8.277) 34.858 17.346 ( 5.826 4.307 0.268) 7.250 17.534 ( -0.447 -6.710 -0.244) 6.730 18.043 ( -4.382 -4.215 5.515) 8.209 18.725 ( 6.241 -1.131 3.052) 7.039 20.550 ( 0.762 -1.755 -3.951) 4.389 20.910 ( -1.297 4.697 -0.567) 4.906 29.324 ( -3.663 3.376 -0.677) 5.027 29.909 ( -2.767 8.943 2.385) 9.661 36.055 ( 3.686 0.036 0.499) 3.720 36.367 ( -1.594 -1.197 2.727) 3.378 36.724 ( 9.626 1.918 -3.200) 10.324 41.267 ( -6.049 -8.513 20.372) 22.893 ======================= Grid point 271 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 12.862 -11.903 -9.393) 19.883 1.953 ( 8.997 0.170 6.707) 11.223 2.243 ( 2.953 1.497 -4.968) 5.970 2.339 ( -5.443 -4.295 -3.016) 7.561 3.976 ( 6.927 -10.375 0.800) 12.501 4.162 ( 5.112 -10.229 17.026) 20.509 4.685 ( 14.847 -32.293 -1.413) 35.571 5.572 ( 22.794 -24.122 -1.066) 33.205 5.943 ( 11.678 -37.386 0.854) 39.177 7.030 ( 3.475 -0.251 -3.148) 4.696 7.853 ( -1.005 -10.857 -4.051) 11.631 8.317 ( 23.745 -23.850 -8.600) 34.737 9.001 ( -9.232 20.591 -4.736) 23.058 10.404 ( -16.746 4.243 -1.466) 17.338 10.810 ( 12.130 16.572 6.038) 21.407 11.140 ( -2.311 10.136 3.294) 10.906 11.592 ( -1.450 -1.674 4.802) 5.288 13.310 ( -32.666 23.066 -1.806) 40.030 17.425 ( -1.679 -3.826 -2.253) 4.747 17.587 ( 14.372 1.462 0.990) 14.480 17.935 ( -6.958 -3.515 5.187) 9.364 18.823 ( 3.975 -1.396 1.537) 4.485 20.534 ( 1.524 -1.438 -3.988) 4.505 20.918 ( -2.624 4.277 -0.331) 5.029 29.294 ( -3.463 3.963 0.072) 5.263 29.927 ( -6.039 8.373 2.017) 10.519 36.118 ( 2.896 0.104 -1.501) 3.264 36.368 ( 1.211 -1.026 3.194) 3.567 36.821 ( 3.540 -2.468 -5.629) 7.093 41.240 ( -2.358 -2.497 21.470) 21.743 ======================= Grid point 274 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 12.976 2.142 5.823) 14.383 1.696 ( 1.874 17.988 -6.505) 19.220 2.234 ( 5.207 1.429 -3.368) 6.364 2.439 ( -0.897 -5.104 0.285) 5.190 3.788 ( 8.167 8.168 1.117) 11.605 4.296 ( 18.002 8.161 -7.863) 21.272 4.823 ( 20.484 -12.055 -1.101) 23.793 5.587 ( 27.267 -11.725 2.491) 29.786 6.203 ( 35.495 -13.275 1.931) 37.946 7.157 ( 8.620 -19.134 -0.571) 20.994 8.010 ( 2.614 -10.813 -3.606) 11.695 8.069 ( 37.398 9.426 6.444) 39.102 9.017 ( -19.906 -7.313 1.162) 21.238 10.166 ( -14.183 39.065 -7.130) 42.167 10.699 ( -10.649 -6.383 0.928) 12.450 11.021 ( -9.491 10.178 -2.195) 14.089 11.753 ( 3.396 -9.225 -1.430) 9.934 13.488 ( -32.567 -6.333 13.484) 35.812 17.354 ( -1.030 6.630 -0.610) 6.738 17.513 ( 3.223 -4.545 1.891) 5.883 18.117 ( 5.899 -5.186 -3.626) 8.651 18.784 ( 0.663 4.202 -4.317) 6.061 20.514 ( 3.156 -0.942 0.591) 3.346 20.904 ( -4.633 1.333 0.223) 4.826 29.312 ( -4.196 -1.060 0.860) 4.413 29.921 ( -10.127 2.335 0.808) 10.424 36.073 ( 1.215 1.471 -1.826) 2.640 36.398 ( 0.886 -0.237 -0.844) 1.247 36.705 ( 2.906 5.866 -1.096) 6.637 41.459 ( -3.464 -4.363 -3.649) 6.659 ======================= Grid point 275 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 9.865 12.149 -1.899) 15.765 1.978 ( 10.423 14.715 2.253) 18.172 2.282 ( 4.003 -5.888 -2.470) 7.536 2.415 ( 3.821 -4.611 4.667) 7.592 4.010 ( 6.524 14.724 -2.690) 16.328 4.542 ( 13.913 -4.756 -14.857) 20.902 5.251 ( 33.861 4.745 3.653) 34.386 5.977 ( 23.878 3.796 2.433) 24.300 6.560 ( 19.186 -9.722 5.381) 22.171 7.134 ( 10.623 -18.333 0.066) 21.188 7.822 ( -16.115 -2.541 -4.240) 16.856 8.672 ( -11.615 -2.655 2.814) 12.242 8.844 ( 37.454 3.518 8.943) 38.667 10.250 ( -10.566 19.857 -1.731) 22.559 10.514 ( -7.755 5.215 -4.537) 10.388 10.996 ( -3.114 8.868 -3.167) 9.918 11.663 ( -2.711 -10.679 -3.048) 11.432 12.830 ( -35.245 -16.873 8.478) 39.985 17.417 ( -0.275 4.132 2.658) 4.921 17.615 ( 7.353 5.859 2.331) 9.687 18.067 ( 1.533 -9.639 -9.005) 13.279 18.819 ( -0.201 3.858 -0.827) 3.950 20.566 ( 3.114 -0.391 1.465) 3.464 20.838 ( -4.277 0.286 0.212) 4.292 29.235 ( -3.116 -1.659 0.086) 3.531 29.755 ( -11.405 -0.054 0.257) 11.408 36.111 ( 1.431 2.191 0.115) 2.619 36.468 ( 8.279 0.232 -3.661) 9.055 36.810 ( 2.124 6.198 3.447) 7.403 41.275 ( -9.267 -5.360 -6.857) 12.713 ======================= Grid point 276 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 7.412 10.816 -1.253) 13.172 2.234 ( 0.117 8.770 3.602) 9.482 2.273 ( 9.134 -6.929 -4.979) 12.499 2.514 ( 10.302 -8.176 9.051) 15.966 4.273 ( 7.671 17.732 -2.819) 19.525 4.591 ( 13.170 -13.446 -12.792) 22.757 5.821 ( 27.401 -4.149 4.296) 28.045 6.453 ( 18.111 5.878 0.964) 19.065 6.803 ( 20.001 -2.644 6.755) 21.276 7.177 ( 8.858 -0.916 1.578) 9.044 7.400 ( -28.426 0.325 -3.314) 28.620 8.578 ( -2.492 0.416 0.564) 2.589 9.346 ( 14.357 -1.842 3.170) 14.817 10.227 ( -1.631 0.253 2.785) 3.238 10.480 ( -5.044 12.004 -3.122) 13.390 11.025 ( 1.158 0.523 -4.205) 4.393 11.354 ( -20.548 -8.902 -2.383) 22.520 12.314 ( -13.620 -4.869 4.026) 15.014 17.447 ( -0.852 0.957 4.899) 5.064 17.790 ( 0.566 1.672 0.933) 1.997 17.979 ( 5.484 0.745 -9.033) 10.594 18.831 ( -0.291 -0.063 0.418) 0.514 20.620 ( 2.678 0.039 1.439) 3.040 20.773 ( -3.403 -0.572 0.026) 3.451 29.198 ( -0.321 0.292 0.021) 0.435 29.559 ( -11.157 -1.219 -0.225) 11.226 36.152 ( 1.064 1.131 1.064) 1.882 36.604 ( 10.779 -2.082 -5.264) 12.175 36.929 ( 3.344 3.830 6.243) 8.051 41.013 ( -12.917 -1.806 -6.619) 14.627 ======================= Grid point 277 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 5.762 3.247 1.195) 6.721 2.215 ( -1.515 -1.995 -3.459) 4.271 2.375 ( 0.957 4.868 1.848) 5.294 2.644 ( 12.292 -12.712 3.443) 18.015 4.455 ( 1.899 4.158 -10.035) 11.027 4.689 ( 14.113 -5.322 4.354) 15.699 6.118 ( 19.030 -16.058 2.193) 24.996 6.479 ( -5.853 -16.952 3.076) 18.196 6.991 ( -16.237 2.376 -0.639) 16.423 7.062 ( 10.085 -1.969 0.141) 10.276 7.712 ( 28.586 31.835 4.022) 42.975 8.401 ( -23.883 1.582 -5.078) 24.468 9.474 ( 10.728 -2.686 -1.331) 11.139 10.052 ( -12.067 -20.529 6.442) 24.668 10.524 ( -7.178 14.104 -2.298) 15.992 10.913 ( 2.610 -14.941 0.188) 15.169 11.141 ( -5.551 12.276 -1.832) 13.596 12.252 ( -0.149 5.931 -0.693) 5.973 17.440 ( -4.593 -0.402 3.946) 6.069 17.701 ( 0.450 -7.243 -3.625) 8.112 18.142 ( 3.659 11.658 -1.135) 12.271 18.828 ( 1.787 -2.599 -0.012) 3.154 20.669 ( 2.165 0.622 0.876) 2.417 20.717 ( -2.250 -1.107 -0.329) 2.529 29.232 ( 2.274 2.998 0.584) 3.808 29.376 ( -8.831 -1.242 -0.562) 8.935 36.177 ( 0.944 0.005 0.465) 1.053 36.700 ( 6.471 -4.421 -2.158) 8.128 37.034 ( 4.026 -1.709 3.228) 5.436 40.797 ( -10.311 4.501 -2.978) 11.638 ======================= Grid point 278 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -4.222 -8.635 -0.775) 9.643 2.150 ( -0.631 3.941 -2.899) 4.933 2.416 ( -2.909 3.777 3.482) 5.903 2.703 ( 10.870 -13.293 -5.489) 18.027 4.398 ( 0.122 -7.357 -6.344) 9.716 4.836 ( -2.415 -0.003 12.088) 12.326 6.068 ( -2.817 -24.313 -3.847) 24.776 6.274 ( 5.142 -18.465 9.226) 21.273 6.808 ( -1.216 -15.830 -0.169) 15.878 7.298 ( 6.031 24.521 -5.036) 25.749 7.797 ( -42.401 3.123 -4.643) 42.769 8.418 ( 19.645 18.099 2.832) 26.861 9.432 ( -10.753 -18.883 3.286) 21.977 9.975 ( 22.780 -0.464 -0.869) 22.802 10.461 ( -10.975 5.372 1.890) 12.364 10.929 ( 7.813 1.843 -0.923) 8.080 11.200 ( 0.391 5.243 0.272) 5.264 12.320 ( 0.500 7.443 -3.653) 8.306 17.325 ( -7.227 -2.799 2.303) 8.085 17.697 ( 5.182 -3.713 -0.542) 6.398 18.247 ( -1.985 7.527 0.179) 7.786 18.842 ( 2.148 -1.559 -0.838) 2.783 20.670 ( -1.360 -1.147 -1.007) 2.045 20.719 ( 2.137 1.464 0.308) 2.609 29.248 ( -4.512 -0.552 -0.534) 4.576 29.333 ( 3.891 5.403 1.477) 6.820 36.190 ( 1.068 -0.391 -1.034) 1.538 36.705 ( 0.768 -7.719 3.029) 8.327 37.031 ( -1.677 -3.408 -2.960) 4.815 40.761 ( -1.198 8.082 3.227) 8.785 ======================= Grid point 279 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -9.280 -8.618 -6.117) 14.064 2.129 ( -5.487 0.953 1.576) 5.788 2.369 ( -6.057 -0.696 0.492) 6.116 2.706 ( 7.778 -9.581 -10.232) 16.030 4.273 ( -5.077 -6.778 -0.149) 8.470 4.711 ( -17.542 -1.275 13.409) 22.117 5.740 ( -7.094 -28.175 -2.601) 29.170 6.197 ( 6.958 -31.052 8.460) 32.927 6.525 ( -22.333 -4.555 0.994) 22.814 7.218 ( -11.473 -5.516 -3.083) 13.099 7.718 ( 9.707 31.220 -6.614) 33.356 8.651 ( 1.120 -1.453 -2.933) 3.459 9.081 ( -11.265 -20.158 5.385) 23.711 10.232 ( -12.262 10.009 -2.262) 15.990 10.442 ( 11.677 3.457 3.255) 12.605 11.221 ( 1.871 -2.429 -1.739) 3.525 11.315 ( 29.993 12.560 2.679) 32.627 12.365 ( -0.355 8.711 -4.885) 9.994 17.229 ( -3.264 -1.081 4.236) 5.455 17.750 ( 5.093 -3.962 -0.131) 6.454 18.226 ( -5.698 2.113 -0.706) 6.118 18.842 ( -1.289 0.208 -0.617) 1.445 20.633 ( -0.937 -1.212 -1.930) 2.464 20.776 ( 2.218 2.805 -0.130) 3.578 29.210 ( 0.440 0.294 -0.575) 0.781 29.482 ( 5.077 7.589 2.910) 9.583 36.194 ( 0.668 -0.132 -2.461) 2.553 36.608 ( -3.983 -11.076 5.503) 12.994 36.907 ( -8.243 1.379 -5.769) 10.156 40.919 ( 7.216 5.255 9.462) 13.008 ======================= Grid point 280 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -5.947 -8.219 -8.394) 13.167 1.972 ( -18.457 4.462 2.964) 19.218 2.233 ( -5.296 -5.817 -0.679) 7.896 2.671 ( 2.709 -5.067 -10.349) 11.837 4.100 ( -13.104 0.344 3.954) 13.692 4.448 ( -17.606 -5.864 11.712) 21.944 5.214 ( -17.279 -26.954 -3.561) 32.214 5.959 ( -4.351 -34.050 13.151) 36.760 6.210 ( -5.022 -11.954 -1.228) 13.024 7.152 ( 10.792 -12.080 -1.926) 16.313 8.080 ( 3.984 12.121 -10.429) 16.479 8.591 ( 1.189 -3.075 0.918) 3.422 8.690 ( -11.722 -16.161 1.265) 20.005 10.047 ( -18.432 10.677 0.356) 21.304 10.666 ( 1.792 15.735 4.152) 16.372 11.194 ( -2.048 -0.012 -2.392) 3.149 11.872 ( 18.264 -5.758 -1.863) 19.240 12.629 ( 25.237 23.377 -1.455) 34.431 17.244 ( 1.972 0.308 5.308) 5.670 17.768 ( 0.576 -3.224 -0.256) 3.285 18.114 ( -5.707 -2.533 -1.460) 6.412 18.792 ( -5.079 0.301 0.731) 5.141 20.594 ( -0.905 -1.260 -3.003) 3.380 20.843 ( 1.979 4.031 -0.426) 4.511 29.253 ( 3.692 1.384 -0.702) 4.005 29.670 ( 5.656 9.124 3.977) 11.448 36.172 ( -2.359 -0.245 -2.226) 3.253 36.463 ( -3.029 -7.961 3.270) 9.124 36.751 ( -10.629 3.692 -2.964) 11.636 41.143 ( 8.877 -1.414 14.481) 17.044 ======================= Grid point 281 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -0.706 -9.844 -12.798) 16.161 1.716 ( -21.926 13.687 6.862) 26.743 2.092 ( -3.419 -7.756 2.160) 8.747 2.597 ( -1.776 -2.148 -7.340) 7.851 3.882 ( -13.876 -3.518 0.770) 14.335 4.137 ( -16.255 -5.774 11.350) 20.649 4.829 ( 0.628 -21.244 -3.704) 21.574 5.592 ( -7.192 -35.740 14.114) 39.093 5.992 ( 4.012 -34.246 -2.564) 34.576 7.238 ( 14.267 -16.318 -0.767) 21.689 7.821 ( -13.988 -17.978 -8.013) 24.147 8.291 ( -7.621 -18.556 -1.427) 20.111 8.982 ( 17.683 19.327 1.134) 26.220 9.880 ( -18.065 21.707 1.622) 28.287 10.867 ( 1.640 16.246 3.918) 16.792 11.121 ( -8.174 3.657 -0.796) 8.990 11.877 ( -0.606 -8.222 -2.727) 8.683 13.425 ( 33.753 25.597 -3.229) 42.484 17.319 ( 3.034 -0.221 3.005) 4.276 17.687 ( -8.523 0.899 0.609) 8.592 18.026 ( 1.731 -6.524 -0.843) 6.802 18.702 ( -5.493 -1.563 3.792) 6.855 20.550 ( -0.734 -1.269 -4.036) 4.294 20.910 ( 1.237 4.798 -0.621) 4.994 29.332 ( 3.369 2.808 -1.108) 4.524 29.868 ( 4.511 9.564 3.842) 11.251 36.087 ( -5.148 -1.480 0.769) 5.411 36.441 ( 4.093 -0.767 -0.573) 4.204 36.602 ( -9.772 2.267 0.700) 10.056 41.299 ( 4.532 -7.901 19.070) 21.134 ======================= Grid point 282 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 3.871 -11.697 -15.386) 19.711 1.616 ( -7.401 9.616 6.476) 13.754 2.075 ( 5.497 -2.194 6.283) 8.631 2.507 ( -3.482 -1.595 -3.836) 5.421 3.649 ( -1.274 -11.338 -1.505) 11.508 3.999 ( -1.252 -5.676 7.097) 9.173 4.637 ( -2.731 -21.365 0.690) 21.550 5.230 ( -0.221 -35.828 6.627) 36.436 5.640 ( 6.547 -53.623 0.265) 54.022 7.145 ( -4.224 -20.174 1.030) 20.638 7.600 ( 11.672 -10.007 -9.218) 17.926 8.009 ( -6.118 -14.890 -2.695) 16.322 9.278 ( -0.244 5.342 0.648) 5.387 10.085 ( 9.728 36.856 5.885) 38.570 10.975 ( -12.119 5.137 -1.609) 13.260 11.074 ( 1.232 14.345 5.664) 15.472 11.763 ( -3.782 -5.269 -0.618) 6.515 13.999 ( 6.977 23.900 -8.765) 26.396 17.354 ( 0.662 2.052 0.037) 2.156 17.552 ( -8.114 -0.685 1.537) 8.286 18.017 ( 3.300 -5.587 -0.017) 6.489 18.659 ( 0.898 -4.296 7.979) 9.107 20.508 ( -0.095 -1.183 -4.849) 4.992 20.965 ( -0.026 4.918 -0.632) 4.958 29.389 ( -0.028 4.255 -1.523) 4.520 30.022 ( 0.962 8.963 2.588) 9.379 36.030 ( -0.592 -0.813 2.160) 2.383 36.458 ( -6.599 2.677 0.175) 7.124 36.576 ( 7.804 -0.016 0.543) 7.823 41.341 ( -1.031 -10.921 23.653) 26.073 ======================= Grid point 283 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 7.240 -15.771 -12.884) 21.613 1.762 ( 14.676 -0.851 1.586) 14.786 2.184 ( 3.029 -1.637 2.247) 4.111 2.416 ( -4.878 0.297 0.276) 4.895 3.652 ( 14.848 -15.060 -1.127) 21.179 4.029 ( 9.061 -9.661 7.070) 15.014 4.328 ( -5.948 -24.700 4.915) 25.877 4.965 ( 12.419 -38.850 -3.161) 40.909 5.326 ( 14.024 -44.654 2.645) 46.879 6.951 ( 0.453 -9.785 -0.892) 9.836 7.657 ( 7.185 -15.941 -9.632) 19.963 7.838 ( 6.483 -10.085 -0.539) 12.001 9.262 ( -5.882 10.608 -2.189) 12.326 10.681 ( 3.552 21.407 -0.372) 21.703 10.831 ( -1.530 10.110 7.051) 12.421 11.270 ( 2.715 13.840 6.259) 15.430 11.642 ( -5.736 -2.911 -0.421) 6.446 13.999 ( -23.720 20.876 -7.198) 32.408 17.409 ( -1.002 -2.063 -1.602) 2.798 17.466 ( 3.211 4.427 2.338) 5.948 17.993 ( -1.712 -4.254 1.570) 4.847 18.719 ( 6.054 -5.758 6.618) 10.658 20.477 ( 0.907 -1.239 -4.957) 5.189 20.994 ( -1.584 4.447 -0.429) 4.740 29.395 ( -3.295 4.757 -1.107) 5.892 30.093 ( -3.239 7.976 1.489) 8.736 36.063 ( 2.999 -0.125 0.529) 3.048 36.398 ( -2.877 1.982 1.867) 3.961 36.703 ( 6.124 -1.296 -2.095) 6.600 41.343 ( -1.548 -7.369 24.765) 25.884 ======================= Grid point 323 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -0.000 0.000 18.436) 18.436 0.669 ( -0.000 0.000 18.436) 18.436 1.298 ( -0.000 0.000 38.077) 38.077 2.850 ( 0.000 -0.000 -16.231) 16.231 2.850 ( 0.000 -0.000 -16.231) 16.231 3.529 ( 0.000 -0.000 -14.528) 14.528 3.651 ( 0.000 -0.000 -7.951) 7.951 3.651 ( 0.000 -0.000 -7.951) 7.951 4.578 ( -0.000 0.000 8.847) 8.847 6.910 ( 0.000 -0.000 -2.975) 2.975 7.656 ( -0.000 0.000 14.275) 14.275 7.656 ( -0.000 0.000 14.275) 14.275 9.513 ( -0.000 0.000 3.996) 3.996 9.513 ( -0.000 0.000 3.996) 3.996 11.012 ( 0.000 -0.000 -7.779) 7.779 11.012 ( 0.000 -0.000 -7.779) 7.779 11.545 ( 0.000 -0.000 -0.808) 0.808 14.365 ( 0.000 -0.000 -2.163) 2.163 17.550 ( -0.000 0.000 1.857) 1.857 17.550 ( -0.000 0.000 1.857) 1.857 17.819 ( -0.000 0.000 -0.958) 0.958 17.819 ( 0.000 0.000 -0.958) 0.958 21.163 ( -0.000 0.000 2.117) 2.117 21.672 ( 0.000 -0.000 -1.362) 1.362 30.009 ( 0.000 -0.000 -0.822) 0.822 30.357 ( -0.000 0.000 0.695) 0.695 36.054 ( -0.000 0.000 2.362) 2.362 36.054 ( -0.000 0.000 2.362) 2.362 36.537 ( 0.000 -0.000 -1.972) 1.972 36.537 ( 0.000 -0.000 -1.972) 1.972 ======================= Grid point 324 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 32.711 -3.317 6.066) 33.433 1.274 ( 8.988 7.675 18.778) 22.188 1.833 ( 29.512 20.520 12.439) 38.036 2.898 ( -1.631 9.281 -9.086) 13.090 3.027 ( -2.605 5.827 -6.813) 9.336 3.194 ( 22.178 4.526 -3.248) 22.867 3.550 ( -0.916 3.169 -7.172) 7.894 3.875 ( 19.945 6.342 -9.297) 22.901 4.520 ( -1.744 -2.412 4.899) 5.733 6.767 ( -1.212 0.798 4.242) 4.484 7.655 ( -1.897 -4.580 13.317) 14.210 7.885 ( 8.614 7.820 15.576) 19.442 9.574 ( 5.410 -7.145 5.988) 10.779 10.464 ( 41.606 23.503 -27.610) 55.188 10.842 ( -4.176 1.620 -12.339) 13.127 11.026 ( -3.137 2.925 -6.906) 8.129 11.733 ( 16.135 10.261 2.004) 19.226 14.097 ( -22.033 -16.230 -6.418) 28.108 17.468 ( -3.539 -5.572 1.375) 6.743 17.653 ( -2.395 7.428 0.640) 7.831 17.790 ( -0.018 1.353 -2.373) 2.732 18.031 ( 20.750 7.206 -4.462) 22.414 21.142 ( -3.468 -1.974 2.326) 4.619 21.303 ( -22.517 -12.331 11.699) 28.213 29.769 ( -15.679 -9.503 6.836) 19.567 30.210 ( -6.862 -3.959 -3.037) 8.485 36.118 ( 3.753 -0.973 3.344) 5.120 36.472 ( -2.429 -2.290 -2.979) 4.474 36.614 ( 6.348 3.022 0.053) 7.031 37.710 ( 101.489 63.217 -58.793) 133.240 ======================= Grid point 325 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 23.282 0.611 1.973) 23.373 1.557 ( 8.660 10.312 11.013) 17.396 2.305 ( 12.407 3.209 -5.767) 14.053 2.622 ( -13.022 -5.256 12.518) 18.812 3.267 ( -9.196 7.475 -13.214) 17.750 3.430 ( 24.171 17.797 -6.902) 30.799 4.122 ( 25.282 16.065 2.440) 30.054 4.455 ( 39.066 11.533 -3.764) 40.906 4.644 ( 26.234 15.862 -5.862) 31.212 6.918 ( 10.855 6.844 2.691) 13.111 7.665 ( 0.768 -4.073 13.774) 14.385 8.217 ( 11.450 9.141 14.327) 20.492 9.602 ( 2.145 -8.094 7.119) 10.990 10.530 ( -3.951 -7.669 -10.761) 13.792 10.898 ( -8.956 0.171 -6.790) 11.240 11.060 ( 14.389 14.473 -21.001) 29.284 12.015 ( -6.347 2.660 15.037) 16.537 13.404 ( -23.667 -21.272 -16.404) 35.801 17.381 ( -2.884 -2.682 0.799) 4.018 17.632 ( -1.909 -2.243 0.709) 3.030 17.824 ( 0.218 7.362 -1.528) 7.522 18.443 ( 20.189 9.057 -7.029) 23.217 20.952 ( -12.318 -6.173 10.817) 17.518 21.094 ( -5.155 -2.798 2.729) 6.469 29.499 ( -10.859 -6.628 3.285) 13.139 30.035 ( -6.974 -4.611 -5.173) 9.832 36.175 ( 0.675 0.642 2.719) 2.874 36.397 ( -0.702 -3.915 -2.408) 4.650 36.789 ( 8.318 4.341 4.125) 10.249 39.194 ( 59.036 37.922 -58.365) 91.268 ======================= Grid point 326 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 6.982 -2.207 2.944) 7.892 1.855 ( 8.898 11.525 4.442) 15.223 2.295 ( -4.235 -5.718 4.970) 8.680 2.576 ( -0.394 -0.962 4.973) 5.081 3.178 ( 0.671 9.615 -16.234) 18.880 3.960 ( 19.817 14.609 -0.698) 24.630 4.478 ( 7.685 12.534 -1.206) 14.752 4.937 ( 35.027 2.870 -14.207) 37.907 5.709 ( 45.271 29.036 2.414) 53.837 7.251 ( 18.531 9.264 1.259) 20.755 7.788 ( 8.306 2.271 13.918) 16.367 8.544 ( 10.939 5.393 10.454) 16.064 9.542 ( -3.852 -9.000 5.405) 11.183 10.373 ( -6.549 0.884 -2.934) 7.230 10.646 ( -15.384 -6.980 -5.420) 17.741 11.282 ( 12.049 8.617 -17.278) 22.759 11.528 ( -39.735 -23.492 13.315) 48.042 13.038 ( -1.860 -1.981 -9.595) 9.972 17.322 ( -1.944 -1.581 -0.308) 2.524 17.577 ( 0.384 -5.924 -0.814) 5.992 17.920 ( 1.736 10.372 -1.238) 10.589 18.756 ( 12.118 5.583 -3.987) 13.926 20.811 ( -6.222 -2.765 7.740) 10.309 20.989 ( -5.443 -2.973 1.186) 6.315 29.319 ( -5.860 -3.386 0.235) 6.772 29.847 ( -6.867 -5.088 -4.706) 9.756 36.164 ( -2.709 0.284 -0.395) 2.752 36.366 ( 1.630 -3.937 0.644) 4.310 36.968 ( 4.567 3.328 5.699) 8.026 39.971 ( 34.658 22.632 -39.270) 57.057 ======================= Grid point 327 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -11.806 -4.519 3.748) 13.185 2.097 ( 5.611 10.241 0.060) 11.677 2.269 ( 0.062 -4.309 9.684) 10.600 2.544 ( -0.630 -3.965 -0.192) 4.020 3.301 ( 11.125 9.692 -15.320) 21.270 4.295 ( 7.389 8.634 -0.347) 11.369 4.730 ( 11.356 9.533 -1.487) 14.901 5.495 ( 34.477 6.480 -14.039) 37.785 6.471 ( 19.712 14.098 3.534) 24.492 7.701 ( 21.055 13.715 0.350) 25.130 8.152 ( 18.311 10.850 12.137) 24.502 8.747 ( 5.592 -2.501 4.706) 7.725 9.352 ( -14.182 -4.551 1.967) 15.024 9.977 ( -39.006 -20.376 6.148) 44.435 10.375 ( 2.187 -6.240 -1.612) 6.806 10.874 ( -16.266 -8.175 -4.528) 18.760 11.517 ( 14.940 6.803 -8.091) 18.302 12.980 ( -6.257 1.703 2.193) 6.846 17.288 ( -1.223 0.503 -0.598) 1.451 17.533 ( 2.871 -6.740 -2.207) 7.651 18.050 ( 3.168 9.921 -3.213) 10.899 18.904 ( 3.165 1.389 -0.019) 3.457 20.750 ( -3.058 -1.384 4.607) 5.700 20.877 ( -5.131 -2.802 0.662) 5.884 29.253 ( -0.100 0.006 -0.296) 0.313 29.670 ( -6.340 -4.724 -3.401) 8.607 36.119 ( -1.408 -0.212 -1.789) 2.286 36.356 ( 0.257 -3.676 2.019) 4.202 37.032 ( -2.184 0.900 2.930) 3.763 40.470 ( 24.105 15.267 -20.970) 35.410 ======================= Grid point 328 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -12.863 0.163 1.007) 12.903 2.131 ( -8.981 -4.451 0.168) 10.025 2.277 ( 2.458 -1.119 8.339) 8.766 2.544 ( 3.465 0.064 -3.952) 5.257 3.523 ( 13.570 8.240 -15.279) 22.034 4.394 ( -0.749 3.284 -1.174) 3.567 4.989 ( 10.799 4.732 1.208) 11.852 6.032 ( 29.914 6.161 -11.422) 32.608 6.765 ( 5.985 6.135 3.678) 9.326 8.158 ( 13.147 16.798 0.470) 21.336 8.526 ( -19.068 7.604 6.736) 21.606 8.594 ( -0.675 -8.573 -0.298) 8.604 9.071 ( -8.449 3.809 -1.031) 9.325 9.339 ( -5.535 -34.401 6.741) 35.489 10.387 ( 1.223 -0.341 3.260) 3.498 10.659 ( -5.349 0.962 -6.194) 8.241 11.850 ( 19.838 7.970 -1.943) 21.467 12.840 ( -13.727 -0.688 5.150) 14.677 17.280 ( -2.292 3.658 -0.114) 4.318 17.534 ( 6.512 -6.459 -2.555) 9.521 18.172 ( 4.322 7.928 -6.263) 10.989 18.897 ( -4.106 -2.077 2.946) 5.463 20.724 ( -1.130 -0.654 1.876) 2.285 20.778 ( -4.187 -2.392 1.119) 4.951 29.308 ( 4.827 2.621 0.390) 5.506 29.515 ( -5.670 -3.755 -1.995) 7.087 36.106 ( 0.926 0.156 -1.799) 2.030 36.322 ( -1.242 -3.493 2.028) 4.225 36.957 ( -6.395 -0.927 -1.653) 6.670 40.870 ( 17.972 10.926 -6.833) 22.115 ======================= Grid point 329 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -5.599 3.737 -4.644) 8.178 1.875 ( -11.640 -10.348 2.825) 15.829 2.326 ( 0.198 0.230 1.258) 1.295 2.564 ( 0.523 -0.108 -2.582) 2.637 3.715 ( 9.212 6.929 -14.565) 18.575 4.354 ( -3.447 -0.692 -2.048) 4.069 5.159 ( 5.954 -2.112 3.894) 7.421 6.397 ( 13.948 0.009 -8.176) 16.168 6.899 ( -3.044 6.909 4.213) 8.646 7.922 ( -16.351 -3.968 -3.537) 17.194 8.507 ( -4.440 0.685 -5.682) 7.243 8.574 ( -0.592 5.247 0.300) 5.289 8.993 ( -2.590 -20.734 11.108) 23.664 9.171 ( 1.049 1.955 0.836) 2.371 10.423 ( 2.236 -0.411 1.544) 2.748 10.630 ( 1.627 4.661 -3.148) 5.855 12.272 ( 17.289 6.981 5.533) 19.449 12.598 ( -11.650 -2.228 2.517) 12.125 17.274 ( -3.152 4.833 0.073) 5.771 17.586 ( 6.410 -4.544 -1.331) 7.969 18.286 ( 6.024 6.103 -9.234) 12.602 18.776 ( -8.140 -4.673 4.584) 10.446 20.680 ( -3.348 -1.879 0.024) 3.840 20.745 ( 0.771 0.142 1.694) 1.867 29.394 ( -4.407 -2.043 -0.527) 4.886 29.453 ( 7.946 3.735 0.782) 8.815 36.121 ( 0.860 0.274 -1.682) 1.909 36.288 ( -0.024 -2.084 1.914) 2.830 36.816 ( -6.312 -1.555 -5.070) 8.244 41.197 ( 12.358 7.408 1.185) 14.457 ======================= Grid point 330 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 3.766 8.088 -9.346) 12.920 1.624 ( -9.245 -9.108 4.651) 13.786 2.289 ( -2.518 -3.254 -2.772) 4.961 2.545 ( -1.918 0.865 0.036) 2.105 3.792 ( 0.699 4.964 -9.287) 10.554 4.274 ( -1.927 -2.885 -4.947) 6.043 5.168 ( -2.037 -8.091 4.776) 9.614 6.396 ( -9.004 -5.028 -6.711) 12.304 6.675 ( -19.019 -4.823 4.022) 20.029 8.007 ( 7.162 6.163 -1.488) 9.565 8.171 ( -12.215 -7.347 -8.420) 16.556 8.453 ( -8.371 -23.799 5.437) 25.807 8.995 ( 3.003 7.349 1.920) 8.168 9.157 ( -2.640 4.341 -0.770) 5.139 10.526 ( 11.108 0.074 0.449) 11.117 10.737 ( 2.278 10.374 0.150) 10.622 12.200 ( -16.342 -3.721 2.667) 16.972 12.875 ( 25.612 7.349 8.335) 27.918 17.277 ( -1.930 4.847 0.199) 5.221 17.619 ( 1.829 -2.233 -0.588) 2.945 18.336 ( -0.795 -0.740 -9.369) 9.431 18.655 ( -1.980 -1.651 3.409) 4.274 20.608 ( -3.213 -1.943 0.376) 3.773 20.791 ( 2.868 1.459 0.762) 3.306 29.326 ( -1.946 -0.595 0.468) 2.088 29.642 ( 9.374 4.448 0.684) 10.398 36.103 ( -1.783 0.115 -1.847) 2.569 36.319 ( 3.241 0.298 1.933) 3.786 36.686 ( -3.732 -1.854 -6.102) 7.389 41.420 ( 6.509 4.072 2.295) 8.014 ======================= Grid point 331 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 2.417 10.262 -5.002) 11.669 1.463 ( 0.122 -6.149 3.683) 7.169 2.175 ( -3.153 -5.034 -4.308) 7.337 2.524 ( -2.807 1.757 1.983) 3.860 3.764 ( -4.335 2.366 -1.767) 5.245 4.163 ( -3.820 -4.547 -8.124) 10.063 4.985 ( -11.543 -10.214 2.809) 15.667 5.911 ( -30.305 -10.046 -6.655) 32.613 6.376 ( -15.536 -18.110 3.007) 24.049 7.608 ( -27.642 -5.828 -2.935) 28.401 7.917 ( -11.558 -30.982 6.967) 33.794 8.259 ( -14.171 7.086 -1.603) 15.925 9.150 ( 9.870 1.150 -1.311) 10.023 9.415 ( 27.485 13.261 -4.413) 30.834 10.775 ( 13.814 4.420 2.421) 14.705 10.877 ( 1.244 13.180 -1.674) 13.344 11.931 ( -12.285 -2.686 0.042) 12.575 13.443 ( 27.217 7.450 12.125) 30.713 17.308 ( 0.130 4.187 0.294) 4.199 17.598 ( -2.703 0.596 -1.247) 3.036 18.172 ( -6.888 -6.757 -3.373) 10.222 18.690 ( 2.796 0.985 -3.187) 4.353 20.543 ( -2.853 -1.779 1.242) 3.584 20.870 ( 3.993 2.250 0.473) 4.608 29.326 ( 1.144 1.008 1.111) 1.887 29.843 ( 9.467 4.305 -0.482) 10.411 36.063 ( -1.915 0.477 -2.220) 2.970 36.395 ( 2.431 2.874 1.500) 4.052 36.602 ( -0.083 -3.277 -4.336) 5.436 41.496 ( -0.037 0.575 -4.623) 4.658 ======================= Grid point 336 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -17.827 31.991 6.545) 37.203 1.396 ( 4.079 26.592 6.748) 27.737 1.687 ( 1.886 1.029 12.989) 13.166 2.850 ( 6.949 16.193 -13.206) 22.020 2.951 ( 8.312 3.599 -1.479) 9.178 3.220 ( -7.018 18.567 1.467) 19.903 3.639 ( 11.225 9.634 -8.780) 17.201 3.759 ( -11.744 17.088 -11.174) 23.554 4.523 ( -1.368 -7.720 4.427) 9.004 6.777 ( 1.311 -1.504 3.399) 3.941 7.786 ( -6.712 1.018 14.573) 16.076 7.893 ( 6.177 4.777 15.251) 17.134 9.484 ( -8.782 -4.361 4.084) 10.622 10.341 ( 0.985 34.354 -17.351) 38.500 10.822 ( 2.028 1.178 -12.818) 13.031 11.020 ( 4.525 3.515 -7.454) 9.401 11.698 ( 0.385 14.708 1.769) 14.819 14.216 ( -2.908 -7.941 -8.843) 12.236 17.500 ( -5.944 -4.993 1.386) 7.885 17.660 ( 14.085 0.295 -0.107) 14.088 17.821 ( 2.719 8.962 -3.234) 9.908 17.908 ( -9.296 7.448 -0.414) 11.919 21.154 ( 0.018 -3.710 2.339) 4.386 21.339 ( 0.522 -25.099 8.879) 26.628 29.826 ( -0.406 -14.980 5.763) 16.056 30.191 ( 0.045 -9.645 -2.920) 10.077 36.037 ( -3.403 -1.984 1.853) 4.353 36.488 ( 6.102 0.328 -1.929) 6.408 36.560 ( -6.642 2.569 -0.991) 7.191 37.545 ( 3.918 110.814 -42.891) 118.890 ======================= Grid point 337 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.017 30.150 2.536) 30.256 1.620 ( 2.986 8.736 14.171) 16.913 1.946 ( 23.677 -4.348 -13.308) 27.507 2.867 ( -10.886 -6.294 14.349) 19.079 3.206 ( 21.278 20.030 -7.336) 30.130 3.574 ( -12.844 21.875 -14.132) 29.038 3.963 ( 16.112 30.577 -2.910) 34.685 4.007 ( 28.924 31.049 1.120) 42.448 4.482 ( 6.436 2.861 -4.006) 8.103 6.870 ( 5.152 6.497 3.425) 8.971 7.745 ( -4.545 -0.759 13.851) 14.597 8.188 ( 10.694 7.100 14.744) 19.549 9.429 ( 4.385 -9.919 3.896) 11.524 10.413 ( 1.041 -4.606 -10.253) 11.288 10.898 ( 6.730 9.131 -16.480) 20.007 11.030 ( -3.191 5.026 -7.004) 9.193 12.013 ( 13.944 8.303 8.272) 18.216 13.712 ( -35.172 -12.185 -13.527) 39.605 17.380 ( -3.180 -5.678 0.713) 6.547 17.714 ( -4.023 0.417 0.363) 4.061 17.887 ( -0.557 5.940 -0.389) 5.979 18.147 ( 20.337 12.530 -5.921) 24.610 21.061 ( -5.884 -12.619 6.980) 15.575 21.146 ( -3.896 -8.429 5.138) 10.612 29.619 ( -9.768 -10.966 4.850) 15.465 30.045 ( -4.208 -8.037 -5.157) 10.435 36.089 ( 8.596 -3.140 1.650) 9.299 36.409 ( -8.424 0.895 -1.631) 8.627 36.692 ( 11.952 2.509 2.018) 12.378 38.641 ( 35.248 76.382 -49.626) 97.670 ======================= Grid point 338 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 5.167 15.080 1.363) 15.999 1.864 ( 6.993 11.189 7.101) 14.984 2.172 ( 15.079 -5.684 -5.772) 17.117 2.744 ( -11.606 3.846 13.098) 17.918 3.409 ( -14.863 19.006 -12.654) 27.244 3.833 ( 22.510 29.303 -3.458) 37.113 4.324 ( 17.630 -9.485 -8.718) 21.836 4.508 ( 15.332 25.003 -3.244) 29.508 5.257 ( 43.241 37.583 -0.113) 57.291 7.084 ( 9.945 6.753 3.399) 12.492 7.816 ( 3.684 6.213 12.539) 14.471 8.489 ( 9.439 5.334 11.580) 15.863 9.396 ( 3.643 -17.831 5.085) 18.896 10.329 ( 0.368 -3.994 -6.377) 7.534 10.886 ( -6.001 3.374 -7.362) 10.079 11.073 ( 7.235 5.605 -12.769) 15.710 12.034 ( -27.344 -18.203 15.710) 36.412 13.028 ( -14.284 -1.691 -14.885) 20.699 17.287 ( -0.780 -6.726 -1.045) 6.852 17.639 ( -6.770 2.875 1.245) 7.460 17.968 ( 2.564 6.934 -0.728) 7.428 18.541 ( 17.402 8.438 -5.646) 20.147 20.897 ( -5.119 -8.246 7.383) 12.195 21.040 ( -4.281 -5.007 1.706) 6.805 29.399 ( -8.290 -6.015 1.714) 10.384 29.862 ( -5.253 -7.667 -4.919) 10.515 36.214 ( 6.790 -1.549 2.198) 7.303 36.279 ( -5.706 -0.583 -2.598) 6.296 36.929 ( 9.498 3.391 5.424) 11.451 39.515 ( 29.821 43.582 -40.217) 66.379 ======================= Grid point 339 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -3.345 7.046 2.708) 8.256 2.098 ( 5.961 9.383 2.779) 11.458 2.303 ( 6.716 1.193 0.222) 6.824 2.645 ( -13.283 4.254 9.260) 16.741 3.354 ( -7.336 23.432 -13.445) 27.994 4.326 ( 8.246 15.880 -3.235) 18.184 4.555 ( 19.275 7.981 -4.488) 21.339 5.021 ( 23.640 18.802 -8.774) 31.454 6.198 ( 33.842 18.700 1.809) 38.707 7.362 ( 19.865 0.667 2.596) 20.045 8.137 ( 11.818 18.839 10.104) 24.427 8.693 ( 4.724 1.807 6.809) 8.482 9.247 ( 0.608 -26.614 6.103) 27.312 10.274 ( -1.018 -3.518 -6.104) 7.118 10.714 ( -28.707 10.708 1.946) 30.701 11.142 ( -32.199 -7.037 -12.174) 35.136 11.224 ( 8.583 -11.893 1.081) 14.706 12.986 ( 4.431 -3.721 1.915) 6.095 17.229 ( 2.814 -6.107 -2.202) 7.076 17.565 ( -6.961 4.254 0.853) 8.203 18.077 ( 2.647 7.533 -2.037) 8.240 18.803 ( 10.039 3.114 -2.910) 10.906 20.803 ( -3.245 -4.404 4.888) 7.336 20.928 ( -4.500 -4.276 0.718) 6.249 29.267 ( -3.186 -2.150 0.265) 3.853 29.686 ( -4.749 -7.226 -3.464) 9.315 36.179 ( -5.242 2.546 -1.679) 6.065 36.303 ( 4.152 -1.824 0.896) 4.623 37.081 ( 1.796 2.042 4.526) 5.280 40.109 ( 24.904 23.752 -24.625) 42.317 ======================= Grid point 340 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -14.497 8.407 2.631) 16.964 2.250 ( 1.386 6.796 -2.035) 7.228 2.434 ( 6.691 0.513 -4.500) 8.080 2.474 ( -17.643 7.125 13.178) 23.145 3.459 ( 0.739 22.705 -13.778) 26.569 4.488 ( 1.847 8.824 -6.000) 10.829 4.908 ( 7.970 16.279 1.074) 18.157 5.554 ( 28.414 11.192 -8.139) 31.604 6.691 ( 12.222 5.962 3.480) 14.037 7.854 ( 34.273 4.582 0.021) 34.578 8.506 ( 4.239 2.612 2.951) 5.788 8.740 ( -1.834 4.901 4.741) 7.062 8.993 ( 0.451 -31.998 7.506) 32.870 9.785 ( -48.876 2.827 -5.128) 49.226 10.409 ( -1.837 3.617 4.346) 5.946 10.795 ( -11.199 4.555 -5.794) 13.406 11.468 ( 23.957 -5.352 -3.888) 24.853 12.970 ( -2.979 -8.844 6.772) 11.531 17.258 ( 7.394 -3.068 -2.018) 8.255 17.497 ( -6.876 5.029 -0.021) 8.519 18.167 ( 2.060 6.434 -4.168) 7.938 18.903 ( 2.226 -1.337 -0.154) 2.601 20.748 ( -1.891 -2.254 2.397) 3.795 20.824 ( -3.974 -3.445 0.878) 5.331 29.257 ( 2.618 0.273 0.289) 2.648 29.535 ( -3.916 -6.395 -1.852) 7.724 36.135 ( -2.971 3.955 -1.638) 5.211 36.334 ( 0.092 0.580 0.753) 0.955 37.066 ( -6.273 0.700 0.470) 6.330 40.577 ( 22.848 11.101 -10.193) 27.371 ======================= Grid point 341 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -17.051 13.984 -0.664) 22.062 2.141 ( -17.600 4.431 -1.509) 18.211 2.375 ( -2.082 0.855 2.123) 3.094 2.546 ( 0.545 5.196 3.081) 6.065 3.640 ( 3.717 21.279 -15.021) 26.310 4.503 ( -6.399 9.153 -5.471) 12.436 5.134 ( 1.843 11.462 3.604) 12.156 6.050 ( 24.181 5.134 -6.142) 25.472 6.898 ( 8.531 3.836 3.989) 10.169 8.099 ( -20.310 -25.267 -4.821) 32.775 8.447 ( 20.189 8.150 -2.788) 21.950 8.642 ( -10.665 -23.172 2.525) 25.633 8.979 ( 2.305 8.768 9.441) 13.090 9.258 ( -15.627 10.739 -1.984) 19.065 10.504 ( -2.526 7.660 4.598) 9.284 10.648 ( -3.727 3.785 -5.382) 7.562 11.847 ( 29.802 -8.223 1.378) 30.946 12.783 ( -11.318 -11.044 5.789) 16.840 17.380 ( 10.207 -2.602 -2.557) 10.839 17.438 ( -6.895 7.928 0.730) 10.532 18.232 ( 2.686 4.777 -6.255) 8.316 18.861 ( -4.341 -3.868 2.043) 6.162 20.711 ( -2.155 -1.496 0.042) 2.624 20.752 ( -1.450 -1.887 2.016) 3.119 29.346 ( 6.616 0.355 -0.158) 6.627 29.420 ( -2.455 -4.395 -0.021) 5.034 36.131 ( -1.332 3.455 -1.274) 3.917 36.341 ( -2.261 4.924 0.881) 5.489 36.921 ( -9.685 -0.075 -3.294) 10.230 40.970 ( 19.850 2.732 -1.276) 20.078 ======================= Grid point 343 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -11.865 19.581 -3.516) 23.164 1.870 ( -18.860 4.329 0.745) 19.365 2.330 ( -4.009 -0.579 -1.341) 4.267 2.594 ( -1.850 3.552 4.387) 5.940 3.801 ( 1.340 18.076 -14.169) 23.007 4.423 ( -10.372 10.324 -5.437) 15.612 5.215 ( -4.998 5.327 5.810) 9.333 6.307 ( 8.024 -2.148 -4.094) 9.260 6.979 ( -14.517 -3.573 -0.813) 14.973 7.702 ( 13.148 -11.493 -2.835) 17.692 8.172 ( -13.804 -31.032 1.367) 33.991 8.551 ( -8.767 3.150 -0.716) 9.343 9.106 ( -6.355 7.077 1.724) 9.666 9.331 ( 2.721 18.192 -0.181) 18.395 10.438 ( -2.067 3.128 -3.212) 4.937 10.791 ( 5.534 10.941 4.259) 12.979 12.247 ( 20.967 -15.997 7.221) 27.344 12.529 ( -0.986 -7.307 1.849) 7.602 17.374 ( -1.749 -0.116 -2.418) 2.987 17.543 ( 3.850 6.998 0.524) 8.004 18.271 ( 1.930 0.333 -7.486) 7.738 18.744 ( -6.319 -1.847 3.693) 7.549 20.646 ( -3.219 -1.855 0.510) 3.750 20.763 ( 1.989 0.297 1.048) 2.268 29.328 ( -0.894 -4.350 0.170) 4.444 29.512 ( 9.418 1.755 -0.062) 9.580 36.131 ( -1.282 1.880 -0.899) 2.446 36.375 ( -2.703 9.238 1.788) 9.790 36.742 ( -8.082 -0.623 -5.428) 9.756 41.258 ( 14.602 -2.500 0.651) 14.829 ======================= Grid point 344 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -1.928 18.537 -4.053) 19.073 1.632 ( -15.849 6.741 3.630) 17.602 2.227 ( -6.546 -0.267 -1.901) 6.822 2.604 ( -2.980 1.753 5.701) 6.667 3.880 ( -2.935 14.102 -8.755) 16.856 4.307 ( -12.685 11.532 -7.804) 18.836 5.120 ( -12.581 -1.626 6.237) 14.136 6.216 ( -16.031 -5.997 -7.804) 18.811 6.479 ( -19.834 -16.112 -1.863) 25.621 7.641 ( -10.691 -32.820 0.679) 34.524 8.000 ( 5.711 -3.501 6.429) 9.285 8.498 ( 2.476 10.859 -0.638) 11.156 8.833 ( -15.528 -10.556 -4.962) 19.421 9.568 ( -0.720 27.207 -0.475) 27.221 10.575 ( 13.191 5.798 -2.456) 14.617 10.997 ( 2.181 12.558 4.044) 13.372 12.088 ( -11.267 -9.878 2.970) 15.275 12.891 ( 37.835 -13.312 6.210) 40.587 17.341 ( 0.067 -1.476 -2.491) 2.896 17.646 ( -0.722 9.018 -0.567) 9.064 18.182 ( -4.603 -6.871 -3.683) 9.053 18.705 ( -1.735 3.909 0.910) 4.373 20.584 ( -2.939 -1.360 1.439) 3.544 20.823 ( 3.790 1.158 0.579) 4.005 29.300 ( 1.439 -2.787 0.922) 3.270 29.693 ( 10.794 1.428 -1.747) 11.028 36.115 ( -2.626 2.496 -0.621) 3.676 36.430 ( -1.978 6.620 2.559) 7.368 36.612 ( -4.024 1.629 -5.226) 6.793 41.393 ( 6.947 -5.607 -4.803) 10.137 ======================= Grid point 349 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -4.421 -6.846 -0.837) 8.192 1.544 ( -2.967 24.260 0.883) 24.457 2.119 ( -19.979 8.181 -1.567) 21.646 2.830 ( 7.395 -4.633 18.326) 20.297 3.130 ( -18.738 22.777 -4.333) 29.810 3.288 ( 11.119 12.695 -15.403) 22.848 3.956 ( -14.095 21.889 -1.467) 26.076 4.158 ( -26.146 38.132 -3.729) 46.385 4.568 ( -6.863 8.092 -3.709) 11.240 6.849 ( -5.533 7.100 3.237) 9.566 7.876 ( 7.104 6.951 14.199) 17.332 8.088 ( -14.362 2.249 13.600) 19.907 9.624 ( -6.649 -7.983 7.400) 12.756 10.602 ( -4.922 -5.715 -13.938) 15.849 10.667 ( -3.875 9.411 -15.848) 18.835 10.930 ( 5.045 5.298 -8.757) 11.411 11.920 ( -8.740 0.312 9.045) 12.581 13.850 ( 30.765 -3.690 -14.122) 34.052 17.448 ( 7.445 -3.715 1.192) 8.406 17.567 ( -6.959 -5.162 1.828) 8.856 17.816 ( 4.249 5.783 -2.722) 7.675 18.246 ( -16.746 13.528 -4.410) 21.974 21.049 ( 6.592 -14.155 7.840) 17.473 21.140 ( 3.665 -7.546 4.504) 9.522 29.628 ( 9.756 -11.038 4.878) 15.518 30.052 ( 3.754 -6.948 -5.432) 9.585 36.149 ( -6.790 -1.790 3.356) 7.783 36.361 ( 2.023 -4.736 -3.382) 6.161 36.760 ( -8.188 7.414 2.730) 11.378 38.559 ( -34.310 75.392 -50.284) 96.900 ======================= Grid point 350 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 19.485 -12.535 -12.293) 26.228 1.688 ( -2.463 17.772 0.814) 17.961 1.874 ( -17.467 11.611 6.168) 21.862 2.884 ( 3.637 -3.982 12.205) 13.344 3.239 ( -1.917 21.959 -0.240) 22.044 3.597 ( 13.074 8.303 -10.557) 18.743 4.027 ( 2.121 26.108 -11.611) 28.652 4.429 ( -9.636 34.265 5.580) 36.028 4.488 ( -1.600 38.443 -5.702) 38.896 6.912 ( 0.740 10.749 3.371) 11.290 7.946 ( -11.498 0.367 13.305) 17.589 8.156 ( 9.353 7.002 13.231) 17.652 9.437 ( -8.687 -5.003 4.433) 10.961 10.339 ( -4.636 -7.286 -7.120) 11.193 10.774 ( 8.703 1.780 -12.637) 15.447 10.993 ( 3.021 1.170 -7.704) 8.358 11.942 ( 5.289 -0.128 9.395) 10.782 13.944 ( -7.707 -4.164 -18.906) 20.837 17.414 ( -6.284 -5.109 1.476) 8.232 17.575 ( 12.639 -5.587 -1.012) 13.855 17.931 ( 1.863 3.779 -1.402) 4.440 18.170 ( -5.188 18.889 -1.922) 19.683 20.997 ( 0.619 -15.612 7.960) 17.536 21.118 ( 0.123 -6.819 3.033) 7.465 29.616 ( -0.217 -12.334 3.956) 12.955 29.975 ( -0.661 -7.916 -6.070) 9.997 36.017 ( -3.037 -1.725 1.406) 3.765 36.478 ( 13.424 -0.437 -0.234) 13.433 36.630 ( -13.493 3.957 2.211) 14.234 38.879 ( 3.342 77.395 -42.665) 88.439 ======================= Grid point 351 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 22.012 -3.685 -5.867) 23.077 1.845 ( 1.441 13.250 0.931) 13.361 1.907 ( 5.221 8.952 6.053) 12.001 2.984 ( -0.711 -1.679 16.973) 17.071 3.481 ( 10.794 12.931 -10.173) 19.678 3.770 ( 15.388 8.381 -9.336) 19.854 4.202 ( -13.870 22.606 -10.445) 28.504 4.526 ( 14.935 23.200 -3.601) 27.825 5.224 ( 12.068 56.459 3.205) 57.823 7.090 ( 3.274 12.491 3.967) 13.508 7.901 ( -1.504 3.848 11.793) 12.496 8.436 ( 9.627 4.689 11.201) 15.497 9.284 ( -5.305 -9.979 3.311) 11.776 10.234 ( 2.681 -8.511 -0.506) 8.938 10.788 ( 2.923 -3.914 -11.318) 12.327 11.031 ( 4.469 2.119 -6.715) 8.340 12.082 ( 6.496 -11.140 11.082) 17.003 13.404 ( -35.131 -2.759 -18.023) 39.580 17.270 ( -5.186 -5.553 -0.499) 7.614 17.708 ( 5.930 -1.092 -0.517) 6.052 17.947 ( 1.669 2.205 -1.384) 3.092 18.397 ( 8.734 16.326 -1.656) 18.589 20.894 ( -1.601 -10.845 6.920) 12.964 21.049 ( -2.266 -6.243 1.601) 6.832 29.469 ( -6.063 -8.158 1.869) 10.335 29.830 ( -3.573 -8.138 -5.427) 10.414 36.052 ( 6.900 -1.321 0.169) 7.027 36.457 ( -11.181 3.042 1.128) 11.643 36.744 ( 16.107 -0.555 4.507) 16.735 39.471 ( 11.541 56.890 -35.816) 68.209 ======================= Grid point 352 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 2.778 7.361 1.715) 8.052 2.077 ( 16.511 -1.421 1.674) 16.656 2.122 ( 4.964 10.338 2.151) 11.668 2.991 ( -9.819 5.151 15.581) 19.123 3.629 ( 4.719 14.890 -19.124) 24.692 4.028 ( 8.309 -5.097 -6.026) 11.460 4.452 ( 21.344 34.967 -4.190) 41.180 5.022 ( 10.607 32.799 -3.292) 34.628 5.892 ( 20.266 27.266 1.526) 34.007 7.225 ( 1.290 3.138 5.326) 6.315 8.156 ( 12.254 17.514 8.103) 22.860 8.657 ( 6.994 0.987 8.434) 11.001 9.064 ( -5.588 -21.394 4.062) 22.481 10.214 ( 2.015 -4.985 -1.159) 5.500 10.786 ( 10.990 -7.590 -6.187) 14.720 11.068 ( -1.242 4.337 -4.384) 6.291 11.788 ( -36.752 -10.915 -0.926) 38.350 12.905 ( -7.176 -5.051 -2.846) 9.226 17.149 ( -1.768 -5.166 -1.640) 5.701 17.724 ( -4.320 4.078 0.402) 5.955 18.047 ( 6.887 2.659 -2.093) 7.673 18.665 ( 9.106 8.583 -1.594) 12.614 20.815 ( -1.676 -6.494 4.874) 8.291 20.949 ( -3.367 -5.403 0.521) 6.387 29.318 ( -5.404 -3.485 0.655) 6.464 29.663 ( -4.010 -8.077 -3.801) 9.786 36.173 ( 7.736 0.218 -1.544) 7.892 36.337 ( -7.884 3.535 1.466) 8.764 37.002 ( 11.922 -1.834 5.943) 13.447 39.948 ( 11.943 35.758 -25.275) 45.388 ======================= Grid point 353 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -3.825 6.131 2.651) 7.697 2.265 ( 2.521 6.294 0.355) 6.790 2.276 ( 8.893 -2.096 -2.765) 9.546 2.927 ( -15.037 9.199 13.830) 22.405 3.747 ( -6.151 29.764 -14.360) 33.615 4.194 ( 22.952 -5.554 -9.447) 25.434 5.104 ( 15.424 33.050 0.077) 36.472 5.401 ( 0.367 30.407 -1.685) 30.456 6.473 ( 25.232 8.791 2.552) 26.841 7.363 ( 18.584 -2.624 2.709) 18.963 8.486 ( -0.696 -4.942 1.706) 5.274 8.710 ( 5.480 -14.893 8.512) 18.008 8.856 ( -0.762 1.835 3.044) 3.635 10.187 ( -2.442 0.256 -4.484) 5.112 10.845 ( -20.775 -12.794 9.767) 26.281 11.012 ( -9.442 7.304 -4.054) 12.607 11.045 ( -6.639 3.790 -13.808) 15.783 12.856 ( 5.156 -14.422 5.908) 16.416 17.120 ( 3.770 -2.141 -1.288) 4.523 17.678 ( -6.610 5.552 0.037) 8.633 18.157 ( 4.004 3.161 -3.013) 5.925 18.828 ( 5.122 2.035 -0.988) 5.599 20.761 ( -1.448 -3.691 2.700) 4.797 20.850 ( -3.235 -4.163 0.323) 5.282 29.245 ( -1.304 -0.710 0.585) 1.595 29.514 ( -3.121 -7.454 -1.988) 8.322 36.249 ( -4.578 6.738 -1.504) 8.284 36.307 ( 4.028 0.754 0.360) 4.114 37.130 ( 1.736 -1.026 3.556) 4.088 40.318 ( 14.769 17.423 -13.068) 26.314 ======================= Grid point 354 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -10.641 8.394 0.563) 13.565 2.315 ( -0.104 -1.958 -3.842) 4.313 2.329 ( 1.857 1.701 -2.828) 3.787 2.831 ( -14.767 9.638 12.533) 21.634 3.871 ( -6.221 32.766 -13.559) 36.002 4.464 ( 14.355 0.546 -6.637) 15.824 5.501 ( -12.547 40.248 3.946) 42.342 5.726 ( 19.332 12.018 -2.410) 22.890 6.798 ( 8.803 1.696 4.273) 9.931 7.924 ( 42.808 2.848 0.099) 42.903 8.057 ( -13.381 -36.184 -2.596) 38.666 8.600 ( -9.045 -16.188 0.184) 18.544 9.065 ( 6.118 14.223 5.481) 16.425 9.845 ( -35.613 6.898 -4.565) 36.561 10.582 ( 1.239 7.038 5.790) 9.197 10.852 ( -14.818 5.498 -3.760) 16.246 11.264 ( 25.364 -11.322 -1.586) 27.821 12.775 ( -0.750 -17.563 5.765) 18.500 17.210 ( 7.340 0.814 -0.898) 7.440 17.625 ( -5.995 6.331 0.012) 8.720 18.208 ( 1.728 1.989 -4.108) 4.881 18.869 ( 0.153 -1.316 -0.053) 1.326 20.724 ( -1.076 -1.716 0.721) 2.150 20.770 ( -2.458 -3.053 1.109) 4.073 29.262 ( 3.115 -0.206 0.098) 3.123 29.401 ( -1.786 -6.136 -0.147) 6.392 36.211 ( -4.306 3.319 -0.035) 5.437 36.410 ( 2.534 8.124 -1.169) 8.590 37.080 ( -8.275 1.023 -0.175) 8.340 40.647 ( 18.244 3.265 -3.779) 18.915 ======================= Grid point 355 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -11.647 11.176 -0.806) 16.162 2.194 ( -12.098 3.538 -3.996) 13.223 2.342 ( 0.440 -0.647 -1.745) 1.913 2.765 ( -8.981 4.597 11.083) 14.988 4.005 ( -5.998 29.650 -14.045) 33.352 4.580 ( 0.263 5.797 -4.505) 7.346 5.610 ( -18.019 31.964 6.173) 37.209 6.113 ( 14.195 6.598 -1.540) 15.729 6.995 ( 9.992 2.665 3.039) 10.779 7.467 ( -10.629 -31.292 -7.240) 33.832 8.143 ( -18.090 -28.687 0.448) 33.918 8.544 ( 20.268 2.633 0.047) 20.439 9.271 ( -2.740 11.482 0.156) 11.806 9.507 ( -8.451 17.699 -0.221) 19.615 10.607 ( -13.393 2.097 -5.264) 14.542 10.810 ( 7.130 11.081 7.622) 15.222 11.578 ( 30.192 -20.680 2.510) 36.681 12.567 ( -6.998 -15.292 3.453) 17.168 17.301 ( 3.069 -0.896 -3.058) 4.424 17.641 ( -0.491 8.971 1.612) 9.128 18.217 ( 0.979 -0.365 -4.371) 4.494 18.827 ( -3.477 -0.753 1.343) 3.803 20.681 ( -2.600 -1.584 0.199) 3.051 20.743 ( 0.781 -0.931 1.203) 1.710 29.283 ( 0.504 -4.343 -0.758) 4.437 29.389 ( 5.789 -0.933 0.717) 5.907 36.178 ( -2.468 1.627 0.219) 2.965 36.529 ( -0.033 12.677 0.186) 12.679 36.900 ( -13.154 1.634 -2.967) 13.583 40.933 ( 18.322 -5.164 -0.679) 19.048 ======================= Grid point 356 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -9.024 9.633 1.638) 13.300 2.001 ( -14.116 10.216 -3.073) 17.693 2.312 ( -3.578 0.737 -0.095) 3.655 2.720 ( -5.416 -1.110 10.324) 11.711 4.081 ( -6.744 22.153 -11.226) 25.735 4.566 ( -7.645 10.017 -5.869) 13.900 5.552 ( -24.661 19.985 7.350) 32.582 6.265 ( 0.285 2.877 -1.570) 3.290 6.686 ( -25.077 -17.988 -10.927) 32.739 7.510 ( -0.397 -21.094 2.102) 21.202 7.638 ( 16.843 -12.033 3.961) 21.075 8.622 ( -6.308 1.836 2.487) 7.025 9.130 ( -18.313 0.826 -5.036) 19.011 9.799 ( 4.967 26.525 -0.654) 26.994 10.479 ( 0.817 4.162 -3.816) 5.706 11.072 ( 5.620 10.449 6.445) 13.502 11.860 ( 27.553 -29.419 4.332) 40.539 12.378 ( 1.755 -8.371 1.985) 8.780 17.280 ( 0.212 -2.379 -4.761) 5.326 17.749 ( 0.733 7.699 1.023) 7.801 18.177 ( -2.314 -2.274 -1.883) 3.751 18.788 ( -2.718 2.729 1.504) 4.135 20.626 ( -2.662 -1.065 1.155) 3.091 20.776 ( 2.946 0.146 0.546) 2.999 29.247 ( 0.945 -3.883 0.465) 4.024 29.517 ( 9.619 -0.187 -1.723) 9.774 36.166 ( -1.132 1.398 1.142) 2.131 36.634 ( -7.620 12.390 3.813) 15.037 36.684 ( -6.716 1.404 -6.002) 9.116 41.125 ( 13.445 -8.396 -4.336) 16.434 ======================= Grid point 361 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -20.131 -6.431 -2.019) 21.229 1.789 ( -1.436 14.236 2.450) 14.516 2.341 ( -5.417 1.775 -3.966) 6.945 2.779 ( 10.744 4.716 17.282) 20.889 3.097 ( 5.820 10.855 -13.201) 18.054 3.789 ( -20.743 26.406 -0.998) 33.594 4.200 ( -14.325 2.088 -5.193) 15.379 4.874 ( -14.035 25.727 -11.076) 31.330 5.212 ( -43.234 36.890 2.854) 56.905 7.101 ( -12.053 9.568 3.393) 15.759 7.933 ( 2.956 10.340 12.678) 16.625 8.443 ( -15.456 5.650 10.175) 19.348 9.584 ( 2.853 -14.430 5.402) 15.670 10.359 ( 7.973 -7.606 -6.766) 12.931 10.794 ( 2.914 1.939 -5.850) 6.817 10.963 ( -14.666 4.983 -16.202) 22.415 11.875 ( 13.810 -23.618 15.883) 31.635 13.213 ( 28.430 3.704 -14.062) 31.933 17.346 ( 2.740 -1.993 -0.814) 3.485 17.655 ( -5.534 -0.578 1.326) 5.720 17.779 ( 2.304 1.877 -1.320) 3.252 18.604 ( -14.393 10.014 -4.412) 18.080 20.878 ( 4.778 -8.813 7.682) 12.631 21.037 ( 4.261 -5.028 1.610) 6.784 29.402 ( 8.552 -6.388 1.786) 10.823 29.887 ( 5.380 -5.756 -5.344) 9.520 36.182 ( 2.660 0.509 -0.307) 2.726 36.348 ( -6.206 -4.935 0.915) 7.981 36.962 ( -4.598 7.000 4.434) 9.476 39.436 ( -32.357 41.628 -40.164) 66.280 ======================= Grid point 362 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -11.754 -7.115 -4.515) 14.463 1.862 ( -3.688 8.646 2.761) 9.797 2.200 ( -10.574 4.102 -3.819) 11.968 2.956 ( -3.575 -3.770 19.392) 20.076 3.336 ( 10.439 13.465 -12.830) 21.328 3.690 ( -14.243 15.107 -0.057) 20.763 4.109 ( -2.579 20.133 -7.384) 21.599 4.808 ( -15.707 22.810 -10.512) 29.623 5.230 ( -11.453 59.504 3.164) 60.679 7.087 ( -4.736 12.652 3.869) 14.053 8.161 ( 4.941 9.347 9.781) 14.403 8.269 ( -16.257 4.054 11.418) 20.275 9.501 ( -0.777 -11.151 6.352) 12.857 10.345 ( -5.574 -9.037 -8.595) 13.660 10.552 ( 1.177 -6.374 -6.340) 9.067 10.952 ( 0.267 2.438 -6.918) 7.339 11.848 ( 4.802 -16.453 9.789) 19.738 13.678 ( 24.182 2.181 -17.500) 29.930 17.369 ( 4.868 -3.373 -2.224) 6.326 17.498 ( -7.973 -4.227 2.761) 9.437 17.906 ( 4.959 4.428 -0.296) 6.655 18.470 ( -11.281 13.485 -2.565) 17.767 20.879 ( 2.268 -10.525 7.156) 12.928 21.047 ( 2.392 -6.126 1.644) 6.779 29.466 ( 6.101 -9.075 1.707) 11.068 29.863 ( 2.251 -6.405 -5.809) 8.935 36.128 ( -10.528 -3.718 2.205) 11.381 36.288 ( 8.225 0.324 -1.428) 8.354 36.904 ( -12.072 2.980 4.983) 13.396 39.393 ( -8.544 57.930 -35.612) 68.535 ======================= Grid point 363 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 18.529 0.572 -0.590) 18.548 1.925 ( 3.067 4.866 3.196) 6.580 2.066 ( -9.148 5.941 0.609) 10.925 2.946 ( 1.652 -4.180 12.339) 13.132 3.386 ( 2.879 -6.470 -15.732) 17.252 3.701 ( -1.841 14.345 3.570) 14.897 4.450 ( 15.860 26.745 -4.671) 31.443 4.700 ( -17.661 28.113 -11.881) 35.262 5.771 ( -1.646 58.423 3.614) 58.558 7.230 ( 1.430 18.594 3.128) 18.909 8.103 ( -12.168 5.605 10.499) 17.020 8.396 ( 7.017 5.396 9.089) 12.687 9.376 ( -9.902 -6.786 4.177) 12.710 10.076 ( -0.061 -19.885 5.157) 20.543 10.624 ( 8.432 -5.067 -8.392) 12.930 10.898 ( 2.623 -2.523 -7.433) 8.276 11.887 ( 9.054 -9.707 5.248) 14.274 13.698 ( -11.077 -2.238 -18.253) 21.468 17.341 ( -8.128 -3.462 0.197) 8.837 17.466 ( 12.926 -4.050 -1.112) 13.591 17.966 ( -0.390 1.599 -1.171) 2.020 18.512 ( -1.025 16.326 1.159) 16.399 20.839 ( 0.325 -8.590 6.082) 10.530 21.014 ( -0.010 -6.437 1.202) 6.548 29.441 ( 0.528 -7.801 0.207) 7.822 29.778 ( -1.692 -6.620 -5.027) 8.482 36.004 ( -1.824 -0.860 1.088) 2.291 36.462 ( 12.255 -1.423 0.524) 12.349 36.728 ( -12.184 1.249 5.750) 13.530 39.748 ( 2.274 54.356 -29.438) 61.857 ======================= Grid point 364 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 27.057 4.460 5.360) 27.942 1.994 ( -0.605 2.392 2.770) 3.709 2.135 ( 6.532 7.922 3.543) 10.862 3.063 ( 10.874 -5.297 6.550) 13.755 3.300 ( 7.958 -9.969 -14.966) 19.664 3.931 ( 11.769 10.991 2.784) 16.342 4.650 ( -7.192 30.768 -9.643) 33.036 5.037 ( 17.922 32.102 -4.240) 37.010 6.176 ( -6.512 36.600 2.925) 37.290 7.403 ( -7.476 15.120 4.609) 17.485 8.192 ( 6.387 17.653 7.828) 20.339 8.587 ( 6.343 1.001 7.144) 9.605 9.060 ( -13.549 -19.238 3.697) 23.819 10.048 ( 9.676 -14.297 7.536) 18.837 10.555 ( 1.046 -10.307 -6.005) 11.974 11.003 ( 10.775 2.074 -6.293) 12.649 11.938 ( 1.031 -5.088 -1.404) 5.378 13.197 ( -30.151 -5.571 -10.253) 32.330 17.176 ( -6.757 -2.971 -1.160) 7.472 17.672 ( 13.346 -1.724 -0.346) 13.461 17.960 ( 0.627 1.456 -2.668) 3.104 18.685 ( 2.366 12.347 2.362) 12.791 20.795 ( -0.533 -5.829 4.436) 7.344 20.942 ( -1.886 -5.777 0.457) 6.094 29.360 ( -2.978 -3.619 -0.459) 4.709 29.639 ( -4.168 -6.972 -3.515) 8.850 36.051 ( 6.084 1.160 -0.118) 6.195 36.510 ( -6.760 0.801 1.023) 6.884 36.760 ( 13.341 -3.909 6.777) 15.466 40.111 ( 0.940 41.657 -22.083) 47.158 ======================= Grid point 365 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 5.937 3.499 1.622) 7.080 2.094 ( 9.004 -1.260 2.440) 9.414 2.298 ( 1.734 5.428 2.282) 6.138 3.213 ( -3.560 1.681 12.296) 12.911 3.415 ( 32.972 -6.305 -18.005) 38.093 4.178 ( 1.067 16.110 -2.016) 16.270 5.036 ( 18.745 31.161 -4.918) 36.696 5.650 ( 21.678 31.730 -0.248) 38.429 6.348 ( -3.399 18.532 2.764) 19.042 7.345 ( -10.994 6.319 5.014) 13.636 8.437 ( -9.110 -23.035 3.563) 25.026 8.620 ( 6.050 10.751 4.128) 13.008 8.852 ( 4.790 -1.659 3.846) 6.363 10.124 ( 6.634 -3.529 1.038) 7.585 10.512 ( 11.217 -16.223 1.517) 19.782 11.133 ( 2.650 5.075 -4.267) 7.141 11.663 ( -31.252 3.865 -10.383) 33.157 12.731 ( -9.079 -12.524 2.269) 15.634 17.086 ( -1.125 -0.107 -0.253) 1.158 17.785 ( -0.431 2.082 0.222) 2.138 18.030 ( 8.933 -0.727 -4.126) 9.866 18.815 ( 1.224 6.124 1.558) 6.436 20.756 ( -0.852 -3.703 2.601) 4.604 20.857 ( -2.450 -4.330 0.034) 4.975 29.285 ( -3.370 -0.316 0.175) 3.389 29.490 ( -3.768 -6.712 -2.039) 7.963 36.196 ( 8.694 2.787 -1.087) 9.195 36.413 ( -7.144 3.417 0.970) 7.978 36.983 ( 13.854 -6.087 5.515) 16.106 40.344 ( -0.378 26.197 -13.490) 29.469 ======================= Grid point 366 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -2.168 4.620 0.714) 5.153 2.173 ( 6.067 -4.446 -4.673) 8.855 2.349 ( 0.505 1.562 1.781) 2.422 3.156 ( -9.518 1.610 6.792) 11.804 3.901 ( 28.698 3.595 -8.910) 30.264 4.344 ( -0.138 23.596 -3.489) 23.853 5.577 ( 15.248 22.946 -1.842) 27.611 6.207 ( -9.164 42.956 4.102) 44.114 6.620 ( 24.035 4.767 4.231) 24.866 7.354 ( 13.197 0.949 1.747) 13.346 7.908 ( -13.611 -37.890 0.425) 40.263 8.649 ( -9.814 -5.405 -2.451) 11.469 9.067 ( 10.690 8.880 3.987) 14.458 10.201 ( -1.586 4.766 -2.636) 5.673 10.554 ( 8.380 -21.523 7.639) 24.327 11.110 ( -19.036 10.697 -7.742) 23.167 11.134 ( -13.238 6.009 -3.102) 14.866 12.588 ( 2.824 -17.014 3.356) 17.571 17.141 ( 4.486 4.075 1.374) 6.214 17.752 ( -4.796 2.520 -0.493) 5.440 18.130 ( 6.119 -1.861 -3.983) 7.535 18.865 ( 0.063 1.768 0.404) 1.814 20.724 ( -0.722 -2.055 1.032) 2.410 20.784 ( -2.240 -2.952 0.280) 3.716 29.250 ( -1.222 0.638 0.593) 1.501 29.374 ( -2.302 -5.610 -0.664) 6.101 36.290 ( -1.301 -2.074 0.799) 2.576 36.422 ( 3.243 11.254 -2.072) 11.894 37.123 ( 4.973 -3.095 3.003) 6.583 40.491 ( 3.681 10.662 -5.564) 12.577 ======================= Grid point 367 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -6.512 4.655 -1.322) 8.113 2.222 ( 4.106 -1.805 -2.063) 4.937 2.358 ( -1.403 1.525 -1.056) 2.326 3.017 ( -11.204 -1.051 6.521) 13.006 4.225 ( 7.052 12.408 -8.768) 16.750 4.583 ( 3.745 18.526 -2.098) 19.017 5.964 ( 9.281 14.208 0.494) 16.978 6.371 ( -14.036 36.594 7.218) 39.852 6.906 ( 2.091 10.504 3.804) 11.365 7.319 ( -13.379 -33.897 -5.329) 36.830 7.956 ( 46.676 -0.094 -0.227) 46.677 8.229 ( -21.629 -21.943 -3.158) 30.973 9.354 ( 9.018 12.922 1.138) 15.798 9.948 ( -26.941 7.605 -1.790) 28.051 10.555 ( 11.175 -15.746 3.831) 19.685 10.988 ( -11.148 6.675 0.419) 13.000 11.112 ( 9.302 0.046 -1.269) 9.389 12.471 ( 0.588 -16.447 1.729) 16.548 17.269 ( 2.770 4.720 0.810) 5.533 17.710 ( -1.593 2.912 -0.499) 3.357 18.162 ( 2.966 -2.290 -2.926) 4.754 18.866 ( -1.196 0.559 0.202) 1.336 20.701 ( -1.156 -0.961 -0.066) 1.504 20.734 ( -0.859 -1.871 0.890) 2.243 29.251 ( -0.322 -0.089 -0.732) 0.805 29.312 ( 1.404 -3.752 1.014) 4.132 36.232 ( -2.869 -1.000 0.468) 3.074 36.596 ( 4.339 11.007 -1.446) 11.919 37.105 ( -7.050 1.132 0.442) 7.154 40.636 ( 10.556 -0.723 -1.378) 10.670 ======================= Grid point 368 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -6.832 7.320 2.697) 10.370 2.188 ( -5.071 0.113 -3.275) 6.038 2.361 ( -0.199 3.672 -1.639) 4.026 2.852 ( -8.529 -6.541 8.680) 13.816 4.324 ( -3.945 11.917 -5.772) 13.817 4.731 ( -3.218 14.837 -5.198) 16.047 6.072 ( -9.420 2.652 5.699) 11.324 6.509 ( -15.825 28.094 2.467) 32.339 6.797 ( -13.923 -16.790 -8.966) 23.583 7.166 ( 19.465 8.337 3.450) 21.455 7.579 ( -21.849 -26.833 -0.757) 34.612 8.540 ( 21.105 -3.285 0.056) 21.360 9.407 ( -16.437 6.273 -4.386) 18.132 9.898 ( 8.667 19.964 1.040) 21.789 10.523 ( -2.118 -7.872 -3.022) 8.694 11.007 ( 12.202 -3.573 6.328) 14.202 11.249 ( 9.841 -8.654 0.877) 13.135 12.339 ( -1.160 -9.082 1.835) 9.338 17.284 ( -3.275 1.900 -2.318) 4.439 17.756 ( 2.724 1.316 -0.286) 3.039 18.179 ( 1.696 0.738 -0.414) 1.895 18.848 ( -1.740 0.823 0.738) 2.062 20.662 ( -2.235 -0.651 0.607) 2.405 20.736 ( 1.804 -0.702 0.358) 1.968 29.221 ( -1.076 -1.198 0.062) 1.611 29.367 ( 6.748 -1.303 -0.739) 6.912 36.195 ( -1.120 -0.438 1.144) 1.660 36.728 ( 0.929 6.302 -2.363) 6.794 36.945 ( -13.529 4.505 1.341) 14.322 40.802 ( 13.339 -4.862 -2.840) 14.479 ======================= Grid point 373 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 7.214 1.556 4.899) 8.858 1.826 ( -12.487 -0.979 -1.127) 12.576 2.380 ( -1.142 4.672 -0.788) 4.874 2.749 ( 9.637 8.732 8.129) 15.336 3.169 ( -3.941 16.760 -9.882) 19.852 4.204 ( -12.144 7.865 -1.462) 14.542 4.536 ( -14.572 18.702 -2.941) 23.890 5.349 ( -18.475 28.806 -13.348) 36.733 6.136 ( -33.513 15.798 2.978) 37.170 7.425 ( -16.988 3.034 4.339) 17.794 8.140 ( -6.630 14.061 10.163) 18.573 8.768 ( -8.966 9.710 3.901) 13.780 9.300 ( 9.809 -26.117 0.169) 27.899 10.151 ( 5.871 -9.361 0.205) 11.052 10.704 ( 12.171 12.070 -1.416) 17.200 11.122 ( 9.494 -0.941 -16.997) 19.491 11.318 ( 7.750 -16.186 12.304) 21.758 12.927 ( 4.760 -6.194 -1.733) 8.002 17.290 ( 1.887 -0.128 -2.976) 3.526 17.683 ( 5.758 7.784 -0.900) 9.724 17.838 ( -10.405 -3.942 -0.011) 11.127 18.840 ( -7.663 3.965 -1.670) 8.788 20.790 ( 2.639 -4.449 5.037) 7.220 20.923 ( 4.435 -4.396 0.636) 6.277 29.266 ( 3.077 -2.398 0.551) 3.939 29.716 ( 5.792 -5.500 -4.265) 9.054 36.139 ( 2.197 1.759 -1.963) 3.431 36.405 ( -2.172 -1.319 2.982) 3.918 37.058 ( 1.493 3.086 2.199) 4.073 40.061 ( -27.482 22.379 -23.902) 42.748 ======================= Grid point 374 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -23.147 2.221 4.261) 23.641 1.978 ( 0.406 3.241 3.630) 4.883 2.327 ( -6.009 0.624 -2.792) 6.656 3.009 ( 6.847 4.902 10.137) 13.178 3.330 ( 1.512 18.242 -5.826) 19.210 3.924 ( -14.486 -3.003 -4.026) 15.332 4.619 ( -17.815 38.302 -3.918) 42.423 5.252 ( -18.291 25.216 -11.063) 33.057 5.913 ( -14.462 35.228 1.105) 38.096 7.285 ( -6.226 3.319 4.670) 8.461 8.251 ( 0.547 7.869 8.855) 11.859 8.680 ( -16.730 12.803 4.660) 21.576 9.267 ( 12.790 -20.007 2.760) 23.906 10.175 ( 6.737 -4.235 -4.820) 9.303 10.691 ( -22.230 -9.948 -1.873) 24.426 10.942 ( 0.415 1.903 -3.303) 3.835 11.529 ( 16.518 -19.946 3.836) 26.180 13.168 ( 27.730 1.269 -7.156) 28.667 17.298 ( 0.997 0.831 -6.010) 6.148 17.626 ( -10.045 -3.495 2.883) 11.020 17.861 ( 6.027 4.862 2.036) 8.007 18.730 ( -9.353 6.574 -2.085) 11.621 20.802 ( 1.657 -5.682 5.065) 7.791 20.946 ( 3.580 -5.321 0.612) 6.442 29.307 ( 4.954 -4.536 0.722) 6.755 29.720 ( 4.436 -5.983 -4.918) 8.926 36.199 ( 2.669 2.505 -2.369) 4.360 36.277 ( -8.945 -3.863 3.208) 10.258 37.098 ( -4.783 2.047 4.286) 6.741 39.866 ( -12.760 36.332 -24.130) 45.443 ======================= Grid point 375 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -15.237 11.684 12.236) 22.768 1.965 ( -3.346 0.744 1.507) 3.744 2.217 ( -6.103 0.953 -1.758) 6.422 3.053 ( -7.675 -4.047 13.171) 15.772 3.269 ( -9.112 -6.117 -14.467) 18.159 3.883 ( 0.282 12.531 1.127) 12.585 4.622 ( -9.411 30.569 -3.012) 32.126 5.154 ( -14.090 24.499 -11.201) 30.401 6.288 ( 1.305 45.419 0.537) 45.441 7.354 ( 4.694 12.144 3.530) 13.490 8.376 ( 4.461 -1.345 9.500) 10.581 8.538 ( -19.410 18.116 4.095) 26.865 9.356 ( 10.016 -9.406 5.233) 14.703 10.016 ( -17.888 -24.592 2.827) 30.541 10.371 ( 7.355 -5.475 -2.501) 9.504 10.867 ( -5.487 -4.838 -4.151) 8.411 11.639 ( 13.771 -5.509 -1.942) 14.959 13.534 ( 16.496 -3.029 -11.555) 20.367 17.294 ( 3.344 -0.681 -4.210) 5.420 17.462 ( -8.701 -2.245 2.061) 9.220 17.970 ( 1.511 1.738 1.653) 2.834 18.689 ( -3.605 9.988 0.557) 10.633 20.793 ( 0.668 -5.145 4.474) 6.851 20.943 ( 1.922 -5.702 0.628) 6.050 29.337 ( 3.713 -4.604 -0.415) 5.929 29.695 ( 1.868 -5.732 -4.436) 7.485 36.079 ( -7.524 -2.239 0.886) 7.900 36.313 ( 5.602 1.679 0.614) 5.881 36.962 ( -12.335 -2.831 5.781) 13.914 40.061 ( 1.361 42.862 -21.325) 47.894 ======================= Grid point 376 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 10.646 10.835 15.038) 21.374 1.975 ( 4.015 0.348 -0.424) 4.052 2.152 ( -1.551 2.502 2.269) 3.717 2.899 ( -5.868 -9.436 -6.778) 13.016 3.051 ( 4.491 -9.374 -2.026) 10.590 3.980 ( -1.084 8.876 5.673) 10.590 4.874 ( 3.908 21.189 -4.641) 22.040 5.216 ( -2.517 34.996 -8.055) 35.999 6.588 ( -5.586 23.493 1.156) 24.175 7.673 ( 4.011 24.320 2.483) 24.773 8.427 ( -5.353 11.383 9.422) 15.716 8.540 ( 1.706 7.175 3.101) 8.000 9.176 ( -21.758 -21.261 3.691) 30.644 9.735 ( 12.821 -19.334 10.816) 25.596 10.433 ( 2.730 -8.329 -3.549) 9.456 10.771 ( 7.337 -2.750 -6.926) 10.458 11.836 ( 9.621 6.601 -4.623) 12.550 13.444 ( -12.151 -9.948 -10.521) 18.902 17.291 ( -9.507 -0.776 -1.441) 9.647 17.410 ( 12.541 -1.357 0.236) 12.616 17.978 ( -1.335 0.808 -0.491) 1.635 18.784 ( 1.017 9.226 3.050) 9.770 20.774 ( -0.100 -3.893 3.269) 5.084 20.907 ( -0.122 -5.297 0.424) 5.315 29.341 ( 1.146 -1.755 -1.331) 2.483 29.619 ( -2.151 -5.894 -2.995) 6.953 36.011 ( -0.083 0.653 0.799) 1.035 36.430 ( 8.304 -2.605 0.496) 8.718 36.775 ( -8.857 -3.249 6.688) 11.564 40.396 ( 1.178 38.480 -16.550) 41.905 ======================= Grid point 377 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 17.485 -1.246 7.433) 19.040 2.022 ( 2.113 0.036 -0.625) 2.204 2.308 ( 6.425 6.410 4.282) 10.035 2.797 ( 18.281 -8.297 -13.469) 24.175 3.161 ( 12.130 -4.747 6.471) 14.544 4.143 ( 9.410 6.359 4.988) 12.404 5.096 ( 6.609 23.928 -7.088) 25.816 5.616 ( 11.129 31.042 -1.588) 33.015 6.637 ( -7.449 10.639 2.359) 13.200 7.779 ( -16.531 20.331 3.432) 26.427 8.438 ( -16.663 -25.962 4.269) 31.143 8.667 ( 11.684 1.128 4.687) 12.639 8.776 ( -3.215 11.867 1.623) 12.402 9.894 ( 14.143 -9.975 7.665) 18.929 10.317 ( -0.050 -9.607 -0.715) 9.634 10.937 ( 15.735 -3.306 -6.444) 17.322 11.961 ( -5.226 13.699 -8.801) 17.100 12.945 ( -25.163 -13.754 -3.280) 28.863 17.146 ( -5.848 0.725 -0.432) 5.909 17.651 ( 15.198 -0.313 0.817) 15.223 17.954 ( -1.457 0.722 -2.173) 2.714 18.878 ( -0.097 4.545 2.607) 5.241 20.749 ( -0.611 -2.740 1.808) 3.339 20.849 ( -1.423 -4.028 0.100) 4.273 29.332 ( -1.416 1.484 -0.825) 2.211 29.492 ( -4.440 -5.735 -1.615) 7.430 36.086 ( 6.400 2.172 0.025) 6.759 36.509 ( 1.702 -0.893 -0.371) 1.957 36.730 ( 6.446 -6.528 6.909) 11.485 40.616 ( -5.380 28.745 -10.764) 31.163 ======================= Grid point 378 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 10.882 -7.290 -4.374) 13.809 2.060 ( 1.986 1.886 -1.112) 2.956 2.368 ( -0.321 -0.845 4.052) 4.152 3.116 ( 16.448 -4.040 -8.522) 18.960 3.440 ( 22.969 4.760 9.655) 25.366 4.424 ( 11.624 8.777 2.163) 14.725 5.557 ( 19.638 28.557 -6.040) 35.180 6.140 ( 26.241 18.167 2.974) 32.054 6.603 ( -5.887 3.624 3.708) 7.845 7.676 ( -21.333 21.934 3.996) 30.858 7.831 ( -18.300 -31.836 0.819) 36.730 8.754 ( -4.671 -5.548 -1.161) 7.345 8.955 ( 8.373 8.961 1.550) 12.362 10.061 ( 12.861 -9.060 4.747) 16.432 10.324 ( 6.637 -2.383 3.027) 7.675 11.087 ( 10.115 -5.515 -5.285) 12.675 11.712 ( -32.697 10.651 -9.720) 35.735 12.516 ( -9.722 -10.334 1.331) 14.250 17.140 ( 1.826 4.618 1.616) 5.222 17.827 ( 0.488 1.293 2.888) 3.202 17.953 ( 7.017 -2.152 -4.963) 8.860 18.895 ( -1.226 0.392 0.929) 1.588 20.722 ( -0.697 -1.807 0.637) 2.038 20.791 ( -1.736 -2.482 -0.060) 3.030 29.308 ( -3.493 1.383 1.036) 3.897 29.371 ( -3.264 -3.204 -1.505) 4.815 36.216 ( 6.305 -0.586 -0.175) 6.334 36.509 ( -1.751 6.590 -0.552) 6.841 36.892 ( 15.858 -8.487 4.458) 18.530 40.665 ( -9.517 17.263 -5.008) 20.339 ======================= Grid point 379 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 5.558 -5.237 -5.396) 9.351 2.139 ( 3.863 4.218 -0.867) 5.785 2.374 ( -0.350 -1.641 3.660) 4.026 3.114 ( -2.617 -6.609 -3.206) 7.798 3.973 ( 24.981 5.512 4.180) 25.922 4.685 ( 6.957 11.805 -0.209) 13.704 6.044 ( 7.271 28.801 -3.401) 29.898 6.536 ( 3.043 -7.074 5.035) 9.201 6.966 ( 44.741 10.233 4.538) 46.120 7.228 ( -14.773 -27.327 -2.509) 31.166 7.619 ( -18.617 27.680 2.480) 33.451 8.391 ( -21.931 -17.678 -3.730) 28.415 9.236 ( 15.294 6.741 1.566) 16.787 10.182 ( 10.982 -10.790 2.112) 15.540 10.381 ( -8.465 2.596 3.455) 9.504 11.101 ( 0.047 -3.927 -3.605) 5.331 11.243 ( -20.776 6.231 -3.726) 22.008 12.343 ( -2.707 -8.606 -0.867) 9.063 17.279 ( 4.768 7.319 2.308) 9.035 17.778 ( -5.040 0.467 0.661) 5.105 18.037 ( 6.633 -3.416 -2.439) 7.849 18.879 ( -0.273 -0.701 -0.149) 0.767 20.701 ( -0.283 -1.088 -0.056) 1.125 20.744 ( -1.758 -1.332 0.040) 2.206 29.263 ( -0.853 -2.656 1.405) 3.123 29.310 ( -3.615 2.253 -1.039) 4.385 36.239 ( -0.019 -3.009 -0.317) 3.026 36.611 ( 3.989 8.558 -0.197) 9.444 37.072 ( 9.899 -4.603 1.535) 11.024 40.625 ( -6.105 7.453 -0.810) 9.669 ======================= Grid point 380 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 3.166 2.069 1.304) 4.001 2.206 ( -0.332 0.993 -1.693) 1.991 2.369 ( 0.726 0.639 -0.591) 1.134 2.933 ( -7.312 -10.671 0.306) 12.939 4.334 ( 10.022 4.242 3.278) 11.366 4.843 ( 2.019 6.038 -3.649) 7.338 6.265 ( -6.534 12.889 2.337) 14.638 6.623 ( 2.899 -15.947 -0.887) 16.232 6.758 ( -0.023 -1.544 -0.736) 1.711 7.464 ( -23.981 4.532 0.616) 24.414 7.811 ( -8.437 3.829 0.792) 9.299 7.910 ( 31.119 -2.409 -1.340) 31.241 9.553 ( 10.616 4.546 0.332) 11.553 10.083 ( -20.123 4.862 -2.315) 20.831 10.302 ( 8.935 -4.482 2.669) 10.347 10.995 ( -6.907 -1.515 -0.152) 7.073 11.155 ( 2.692 -1.800 -0.523) 3.281 12.256 ( 1.634 -5.558 0.104) 5.794 17.373 ( -2.688 5.057 -0.153) 5.728 17.731 ( -0.727 -0.647 0.376) 1.043 18.109 ( 6.664 -0.444 -0.269) 6.684 18.867 ( -0.491 -1.048 0.047) 1.158 20.690 ( -0.659 -0.166 -0.126) 0.691 20.711 ( -0.453 -1.045 0.124) 1.146 29.262 ( 2.017 -1.707 0.010) 2.642 29.274 ( -2.460 2.775 -0.010) 3.708 36.204 ( -0.718 -1.682 0.003) 1.829 36.736 ( 2.835 3.257 -0.001) 4.318 37.108 ( -2.380 -1.628 -0.002) 2.883 40.642 ( 2.651 3.425 0.000) 4.331 ======================= Grid point 386 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 19.152 3.043 5.151) 20.065 2.025 ( -9.406 -1.683 -2.740) 9.941 2.478 ( -3.253 5.865 -0.255) 6.712 2.668 ( 15.682 9.971 6.865) 19.811 3.383 ( -7.276 17.598 -12.307) 22.673 4.403 ( -4.029 8.028 -2.432) 9.306 4.922 ( -10.454 19.725 0.416) 22.328 5.862 ( -18.966 25.465 -11.636) 33.817 6.625 ( -14.253 3.076 2.666) 14.823 7.787 ( -24.004 -1.473 3.411) 24.290 8.379 ( -2.719 -12.608 8.001) 15.178 8.768 ( 12.981 -13.019 0.454) 18.390 8.980 ( -1.614 3.397 -5.428) 6.603 9.963 ( 17.243 5.297 2.838) 18.261 10.575 ( 20.082 8.868 4.260) 22.362 10.674 ( 8.359 -0.798 -6.210) 10.444 11.556 ( -23.471 -2.996 1.275) 23.696 12.787 ( 1.700 -15.954 3.487) 16.418 17.250 ( 1.030 0.709 -3.726) 3.930 17.666 ( 4.541 7.624 0.536) 8.890 17.981 ( -10.222 -0.842 -3.868) 10.962 18.917 ( -0.533 -1.382 1.284) 1.961 20.745 ( 1.555 -1.988 2.335) 3.438 20.821 ( 3.710 -3.437 0.835) 5.126 29.262 ( -2.873 0.595 0.880) 3.063 29.552 ( 5.166 -5.698 -3.010) 8.259 36.130 ( 1.359 4.099 -1.587) 4.601 36.420 ( 2.154 1.677 2.935) 4.008 36.998 ( 6.615 -0.282 -2.129) 6.955 40.557 ( -24.208 10.462 -9.562) 28.052 ======================= Grid point 387 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -11.383 3.848 3.321) 12.466 1.922 ( 9.736 2.910 4.845) 11.257 2.423 ( -5.888 0.769 -1.358) 6.091 2.982 ( 8.724 8.687 5.002) 13.289 3.503 ( -0.439 21.848 -4.064) 22.227 4.198 ( -21.230 0.823 -2.745) 21.423 5.132 ( -3.252 37.264 -5.181) 37.763 5.807 ( -18.364 32.900 -7.979) 38.514 6.398 ( -16.651 11.850 0.484) 20.443 7.433 ( -13.524 -5.757 2.819) 14.966 8.286 ( 2.892 -16.630 9.233) 19.240 8.813 ( 12.133 -15.231 -0.284) 19.475 9.023 ( -3.261 14.235 -4.552) 15.297 10.098 ( 0.403 3.712 -0.112) 3.736 10.829 ( 10.888 2.612 -5.367) 12.417 11.028 ( -9.018 -1.737 -4.917) 10.417 11.088 ( 3.007 -15.443 11.363) 19.408 12.770 ( 14.246 -9.162 1.151) 16.977 17.267 ( 1.208 3.588 -7.535) 8.433 17.767 ( -7.348 -4.317 2.597) 8.909 17.842 ( 2.310 7.609 1.546) 8.101 18.871 ( -4.337 0.560 -0.353) 4.387 20.758 ( 1.289 -2.904 2.664) 4.146 20.845 ( 3.297 -4.019 0.331) 5.209 29.241 ( 0.138 -1.214 1.085) 1.635 29.559 ( 5.078 -6.174 -3.860) 8.877 36.201 ( 1.764 6.104 -1.075) 6.444 36.383 ( -6.636 -3.138 2.010) 7.611 37.132 ( 4.953 3.022 0.556) 5.828 40.271 ( -16.520 17.437 -11.546) 26.651 ======================= Grid point 388 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -15.282 11.382 11.608) 22.312 2.021 ( -0.785 -0.637 2.098) 2.329 2.304 ( -6.317 -1.072 -1.300) 6.538 3.148 ( -0.867 -0.308 5.992) 6.062 3.472 ( -21.202 1.484 -3.268) 21.504 4.007 ( -2.204 16.385 -2.756) 16.761 5.221 ( -22.253 28.311 -3.459) 36.176 5.578 ( -24.274 18.516 -8.757) 31.761 6.606 ( 5.260 34.014 -2.233) 34.491 7.360 ( 5.917 6.389 3.084) 9.238 8.250 ( 7.601 -19.875 10.800) 23.863 8.875 ( 5.328 -7.129 1.334) 9.000 9.102 ( 2.737 12.395 -4.775) 13.562 10.084 ( -7.498 -7.085 -1.799) 10.471 10.440 ( -23.265 -13.164 9.354) 28.321 10.916 ( -5.256 -3.434 0.262) 6.284 11.304 ( 19.696 0.126 -8.111) 21.301 13.080 ( 25.929 -5.735 -2.538) 26.677 17.263 ( -0.718 3.064 -7.904) 8.507 17.598 ( -8.597 -2.384 2.894) 9.379 17.977 ( 2.474 3.371 4.545) 6.176 18.813 ( -3.465 3.343 -0.054) 4.815 20.760 ( 0.839 -3.032 2.450) 3.987 20.857 ( 2.706 -4.198 0.211) 4.999 29.253 ( 2.407 -1.662 0.388) 2.950 29.566 ( 4.533 -5.383 -3.870) 8.031 36.209 ( -9.607 -0.379 -0.007) 9.615 36.292 ( 1.720 3.149 1.016) 3.729 37.121 ( -7.522 -3.866 3.595) 9.190 40.295 ( 0.338 27.309 -11.996) 29.829 ======================= Grid point 389 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -14.441 6.564 12.033) 19.910 1.990 ( -3.559 3.968 2.876) 6.056 2.212 ( -2.848 -0.417 1.332) 3.172 2.953 ( -16.021 -9.119 -11.211) 21.575 3.086 ( -15.112 -3.131 6.507) 16.749 4.130 ( -3.499 8.277 5.108) 10.336 5.088 ( -11.862 20.520 -4.832) 24.190 5.538 ( -4.212 26.714 -7.052) 27.949 6.826 ( -2.901 12.361 -1.205) 12.754 7.778 ( 13.505 29.372 3.169) 32.483 8.266 ( 11.413 -21.123 10.386) 26.159 8.856 ( -5.953 6.288 0.151) 8.660 9.281 ( 5.571 -1.017 -1.560) 5.874 9.529 ( -20.300 -24.293 3.589) 31.861 10.334 ( -0.708 0.543 4.220) 4.314 10.718 ( -7.159 -5.297 -3.534) 9.581 11.670 ( 19.349 13.284 -6.803) 24.436 13.296 ( 10.124 -12.919 -5.914) 17.446 17.268 ( 3.830 1.689 -2.518) 4.885 17.453 ( -9.683 0.087 0.320) 9.688 18.015 ( -1.680 0.904 2.752) 3.349 18.842 ( 1.277 4.335 1.948) 4.921 20.754 ( 0.387 -2.670 1.632) 3.153 20.853 ( 1.339 -4.045 0.231) 4.267 29.292 ( 3.042 0.365 -0.474) 3.100 29.554 ( 1.799 -5.071 -2.930) 6.127 36.071 ( -5.958 0.402 0.773) 6.022 36.346 ( 1.310 1.146 0.257) 1.760 36.917 ( -10.419 -7.513 5.191) 13.855 40.594 ( 6.440 29.661 -10.016) 31.962 ======================= Grid point 390 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 3.656 -10.183 2.610) 11.129 2.004 ( -0.497 1.642 0.646) 1.833 2.292 ( 5.493 8.641 6.061) 11.899 2.582 ( -6.416 -8.246 -7.870) 13.080 2.995 ( 2.563 -1.521 6.305) 6.974 4.150 ( -0.984 2.336 6.798) 7.256 5.156 ( 2.124 13.623 -5.208) 14.739 5.807 ( 3.824 31.056 -2.680) 31.405 6.828 ( -6.118 5.239 1.437) 8.182 8.137 ( -1.431 17.327 3.683) 17.772 8.289 ( 7.084 -27.327 6.363) 28.939 8.670 ( -17.222 -9.000 0.947) 19.455 9.040 ( -5.749 14.754 -0.306) 15.837 9.583 ( 16.415 -7.018 0.489) 17.859 10.265 ( -4.076 -8.522 4.873) 10.629 10.669 ( 6.354 -0.202 -5.826) 8.623 12.064 ( 9.576 22.482 -6.801) 25.365 13.089 ( -11.659 -18.859 -4.815) 22.689 17.283 ( -9.968 0.628 -0.828) 10.022 17.423 ( 12.390 2.170 1.362) 12.652 17.998 ( -2.576 1.252 1.248) 3.124 18.909 ( 1.211 1.000 1.843) 2.422 20.739 ( -0.096 -2.141 0.606) 2.227 20.828 ( -0.137 -3.297 0.011) 3.300 29.349 ( 1.721 3.406 -0.515) 3.851 29.492 ( -2.132 -4.817 -1.661) 5.523 36.044 ( 0.861 1.821 0.641) 2.114 36.376 ( 4.681 -3.045 -0.009) 5.585 36.744 ( -5.595 -5.986 5.246) 9.729 40.883 ( 0.337 24.894 -6.551) 25.744 ======================= Grid point 391 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 16.482 -14.832 -8.758) 23.840 2.030 ( 2.659 0.628 -0.258) 2.744 2.368 ( 0.850 -4.281 4.529) 6.289 2.723 ( 20.578 3.004 -3.087) 21.024 3.204 ( 16.055 3.617 10.260) 19.393 4.272 ( 10.613 1.154 6.643) 12.574 5.391 ( 15.887 12.382 -4.478) 20.635 6.151 ( 5.602 23.195 0.609) 23.869 6.745 ( -8.327 0.470 3.278) 8.961 7.843 ( -18.467 -29.444 2.370) 34.837 8.210 ( -10.646 20.171 1.213) 22.841 8.586 ( 7.145 -8.741 1.328) 11.368 9.108 ( -6.509 11.330 -2.489) 13.302 9.764 ( 14.970 -10.707 1.617) 18.476 10.233 ( 4.734 -0.850 6.085) 7.756 10.773 ( 11.636 -5.204 -6.070) 14.118 12.226 ( -16.424 19.720 -9.135) 27.241 12.635 ( -14.682 -13.791 -0.351) 20.146 17.183 ( -2.446 2.541 0.366) 3.546 17.683 ( 13.928 1.672 2.226) 14.204 17.959 ( -4.485 1.167 0.958) 4.733 18.904 ( -0.824 -2.959 0.122) 3.074 20.716 ( -0.427 -1.791 -0.171) 1.849 20.792 ( -0.918 -1.812 -0.335) 2.059 29.373 ( -3.715 -2.927 1.047) 4.844 29.410 ( -1.789 4.354 -1.667) 4.993 36.116 ( 4.970 0.280 0.440) 4.997 36.485 ( 11.286 -0.324 -1.397) 11.377 36.665 ( 0.074 -6.058 5.133) 7.941 40.987 ( -9.241 17.308 -2.636) 19.797 ======================= Grid point 392 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 17.074 -9.628 -7.469) 20.976 2.102 ( 4.648 2.405 -1.679) 5.496 2.377 ( 0.456 -3.696 6.513) 7.502 2.947 ( 10.044 -7.030 -8.133) 14.712 3.656 ( 23.604 6.737 10.501) 26.699 4.561 ( 15.559 1.286 6.420) 16.881 5.897 ( 34.116 8.875 -5.152) 35.626 6.383 ( 4.326 -0.825 4.153) 6.054 6.676 ( 0.565 7.826 1.580) 8.004 7.305 ( -20.543 -15.711 0.022) 25.862 8.186 ( -16.296 13.409 0.594) 21.112 8.493 ( -7.307 -13.775 0.124) 15.594 9.139 ( 3.864 12.127 -0.795) 12.752 9.903 ( 13.702 -10.169 1.583) 17.136 10.411 ( 7.676 2.972 5.257) 9.767 10.880 ( 12.134 -7.231 -4.857) 14.937 11.780 ( -34.773 1.738 -3.577) 35.000 12.428 ( -11.239 3.834 -4.227) 12.604 17.262 ( 5.765 5.704 1.306) 8.215 17.853 ( 2.347 -2.606 -5.346) 6.394 17.914 ( -0.346 1.567 8.612) 8.761 18.858 ( 0.201 -3.309 -1.083) 3.488 20.691 ( -0.258 -1.789 -0.663) 1.926 20.762 ( -1.339 -0.135 -0.401) 1.404 29.272 ( -3.453 -3.603 0.708) 5.041 29.421 ( -4.049 6.825 -0.468) 7.950 36.178 ( 3.341 -2.554 -0.331) 4.218 36.629 ( 1.623 3.810 1.309) 4.343 36.771 ( 18.299 -5.751 0.965) 19.206 40.906 ( -14.538 10.539 0.888) 17.978 ======================= Grid point 393 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 14.296 -2.513 0.017) 14.515 2.199 ( 4.085 4.156 -3.574) 6.837 2.360 ( -0.998 -4.625 4.834) 6.764 2.873 ( -1.062 -12.388 -7.988) 14.778 4.139 ( 20.965 4.870 7.202) 22.696 4.761 ( 5.799 -6.399 5.083) 10.021 6.255 ( 7.665 -17.537 -0.913) 19.161 6.560 ( 18.118 13.644 -3.553) 22.958 6.866 ( -22.643 2.436 1.409) 22.817 7.058 ( 36.602 -1.209 -1.699) 36.661 7.715 ( -25.672 -29.546 -1.265) 39.161 8.370 ( -12.277 19.032 3.553) 22.925 9.384 ( 9.300 6.615 1.198) 11.475 10.082 ( 12.619 3.582 -1.346) 13.186 10.472 ( -5.445 -1.503 3.433) 6.610 10.984 ( 6.608 -2.024 -0.382) 6.922 11.267 ( -24.372 0.986 -3.146) 24.594 12.256 ( -7.313 1.100 -2.984) 7.975 17.418 ( 3.431 5.475 -1.131) 6.560 17.789 ( -4.019 0.137 0.308) 4.033 17.979 ( 5.395 -3.331 4.127) 7.565 18.848 ( 1.135 -1.424 -0.709) 1.955 20.671 ( 0.530 -1.686 -0.916) 1.990 20.739 ( -1.865 0.898 -0.148) 2.075 29.215 ( -0.103 -2.170 0.260) 2.188 29.402 ( -5.668 6.888 -0.008) 8.920 36.183 ( 0.910 -1.886 -0.988) 2.315 36.696 ( 3.733 -2.573 3.835) 5.938 36.995 ( 11.006 -1.962 -3.069) 11.593 40.783 ( -10.382 8.324 3.146) 13.674 ======================= Grid point 398 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 15.441 9.426 1.633) 18.164 2.061 ( 2.233 -0.622 -2.655) 3.525 2.513 ( 11.700 5.923 0.275) 13.117 2.562 ( 4.035 7.199 4.880) 9.588 3.584 ( -6.020 14.516 -14.112) 21.121 4.467 ( 4.987 11.547 -4.211) 13.264 5.246 ( -3.871 18.618 4.365) 19.511 6.301 ( -14.244 16.063 -8.707) 23.167 6.772 ( -4.989 -5.108 2.055) 7.430 7.893 ( 13.756 -32.231 -0.743) 35.052 8.213 ( -23.496 -0.071 1.148) 23.524 8.646 ( 8.886 -1.103 -0.956) 9.005 9.059 ( -6.005 1.534 -0.417) 6.212 9.672 ( 29.399 11.845 5.862) 32.233 10.477 ( 0.336 5.880 -4.548) 7.441 10.598 ( 5.076 4.029 2.105) 6.814 11.964 ( -27.037 -5.883 5.879) 28.288 12.591 ( 4.186 -15.765 2.325) 16.477 17.233 ( 0.238 1.395 -2.697) 3.045 17.681 ( 2.655 5.602 1.939) 6.495 18.115 ( -9.045 1.933 -8.254) 12.396 18.862 ( 4.748 -3.986 3.091) 6.927 20.710 ( 2.193 -1.597 0.095) 2.715 20.757 ( 1.194 -1.349 1.886) 2.607 29.364 ( -6.028 1.251 1.231) 6.278 29.415 ( 2.488 -4.658 -1.620) 5.524 36.140 ( 1.561 3.248 -1.075) 3.761 36.415 ( 4.628 7.189 2.768) 8.987 36.844 ( 7.341 -1.984 -5.444) 9.352 40.961 ( -20.283 2.359 -1.101) 20.449 ======================= Grid point 400 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 15.650 9.146 3.688) 18.498 2.025 ( -4.278 2.427 1.015) 5.022 2.493 ( -3.050 -0.972 -2.638) 4.148 2.926 ( 11.273 7.519 6.499) 15.029 3.684 ( 1.433 22.771 -7.410) 23.989 4.524 ( -11.463 8.967 -3.296) 14.922 5.482 ( -2.135 33.981 -0.585) 34.053 6.278 ( -4.775 30.530 -6.228) 31.523 6.659 ( -7.035 -0.633 0.388) 7.075 7.745 ( -26.002 -6.368 0.619) 26.778 7.824 ( 12.966 -34.023 1.406) 36.437 8.664 ( -0.392 -10.079 3.306) 10.614 9.085 ( 4.216 10.205 -5.730) 12.440 10.120 ( 10.484 7.671 -0.237) 12.993 10.527 ( 9.329 1.101 -7.242) 11.861 10.902 ( 14.175 9.550 6.187) 18.177 11.401 ( -29.373 -17.627 7.831) 35.140 12.511 ( 5.132 -13.933 1.776) 14.954 17.257 ( 0.712 5.265 -5.779) 7.850 17.784 ( 2.232 -0.090 5.546) 5.979 17.958 ( -7.091 3.973 -5.103) 9.597 18.889 ( 0.938 -2.302 1.336) 2.822 20.725 ( 1.352 -1.589 0.413) 2.127 20.772 ( 1.880 -2.563 1.157) 3.383 29.285 ( -4.810 0.215 1.508) 5.045 29.405 ( 4.172 -6.106 -2.612) 7.843 36.212 ( 2.979 3.539 0.133) 4.628 36.484 ( -4.873 4.005 1.010) 6.388 37.015 ( 12.348 4.798 -2.944) 13.570 40.628 ( -19.019 3.109 -2.877) 19.485 ======================= Grid point 401 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -1.651 0.721 1.982) 2.679 2.011 ( 1.693 7.771 5.303) 9.559 2.389 ( -5.994 -2.648 -0.986) 6.626 3.142 ( 5.270 1.020 4.786) 7.191 3.837 ( -9.913 15.009 -0.177) 17.988 4.301 ( -17.975 13.224 -2.737) 22.483 5.651 ( -7.481 24.129 -5.451) 25.844 6.328 ( -38.695 18.095 -3.606) 42.869 6.754 ( 8.937 28.327 -3.973) 29.968 7.367 ( -1.431 4.542 1.072) 4.881 7.795 ( 18.733 -35.738 7.690) 41.076 8.602 ( 7.216 -13.793 0.300) 15.569 9.215 ( 0.617 11.145 -5.111) 12.277 10.173 ( -8.188 -1.779 -1.247) 8.471 10.699 ( 1.999 -14.758 4.142) 15.458 10.901 ( -5.802 5.305 0.518) 7.878 11.082 ( -0.182 -0.833 -0.841) 1.198 12.620 ( 19.770 -8.063 1.569) 21.409 17.276 ( -0.931 5.311 -7.574) 9.297 17.714 ( -6.739 -3.577 2.313) 7.972 17.999 ( 2.567 5.121 4.082) 7.034 18.870 ( -1.739 -0.222 0.211) 1.765 20.730 ( 0.941 -1.906 0.619) 2.214 20.784 ( 2.176 -2.737 0.360) 3.515 29.236 ( -1.270 -0.575 1.086) 1.768 29.417 ( 5.108 -4.783 -2.891) 7.572 36.278 ( 1.302 -1.556 1.418) 2.475 36.403 ( -8.701 7.686 -0.734) 11.632 37.166 ( 0.861 -0.505 0.365) 1.063 40.466 ( -4.366 11.206 -4.117) 12.711 ======================= Grid point 402 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -10.086 -2.851 0.045) 10.482 2.145 ( -0.594 8.684 7.756) 11.659 2.253 ( -5.073 -4.118 0.641) 6.566 3.095 ( -9.700 -4.949 -4.467) 11.770 3.524 ( -31.978 4.137 7.735) 33.159 4.311 ( -4.071 12.963 1.805) 13.706 5.647 ( -34.314 17.085 -4.396) 38.583 5.800 ( -8.939 17.363 -7.053) 20.763 6.916 ( 0.765 5.891 -2.713) 6.531 7.804 ( 17.570 -22.354 10.337) 30.253 7.876 ( 17.134 26.624 4.217) 31.940 8.643 ( 14.932 -16.987 -1.531) 22.669 9.262 ( -1.266 7.401 -6.090) 9.668 9.746 ( -24.511 -20.620 0.831) 32.041 10.528 ( -10.450 4.017 7.719) 13.599 10.835 ( -12.506 -1.687 -1.781) 12.744 11.369 ( 27.705 13.850 -7.078) 31.772 12.889 ( 19.565 -12.322 -1.116) 23.149 17.256 ( -1.143 2.354 -3.939) 4.729 17.602 ( -6.810 1.012 0.908) 6.944 18.074 ( -0.990 1.896 4.766) 5.224 18.857 ( 0.160 0.842 0.566) 1.027 20.727 ( 0.677 -2.035 0.364) 2.175 20.793 ( 1.896 -2.646 -0.116) 3.257 29.251 ( 2.439 0.808 0.657) 2.652 29.443 ( 4.328 -3.717 -2.591) 6.266 36.197 ( -6.969 -1.157 0.754) 7.105 36.396 ( -3.283 6.880 -0.260) 7.627 37.030 ( -10.279 -8.797 2.783) 13.813 40.650 ( 9.546 18.356 -3.934) 21.060 ======================= Grid point 403 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -18.075 -9.219 -3.334) 20.563 2.070 ( -7.017 -4.834 1.883) 8.727 2.312 ( 3.520 3.861 3.911) 6.526 2.743 ( -19.686 -2.158 -6.882) 20.966 3.183 ( -17.880 6.238 12.482) 22.680 4.282 ( -8.814 1.060 7.203) 11.432 5.298 ( -12.182 8.608 -6.408) 16.234 5.996 ( 3.557 23.173 -2.309) 23.558 6.956 ( -2.329 4.923 0.987) 5.535 7.843 ( 14.933 -28.295 9.278) 33.312 8.351 ( 1.361 20.312 3.334) 20.629 8.687 ( 7.990 -19.712 -0.332) 21.272 9.218 ( -12.143 -0.316 0.432) 12.154 9.316 ( 3.003 -0.467 -10.866) 11.283 10.377 ( -11.200 -5.920 8.360) 15.179 10.692 ( -6.354 8.406 -3.916) 11.241 11.972 ( 25.108 23.554 -5.617) 34.882 12.929 ( 4.485 -19.943 -3.144) 20.681 17.297 ( 5.259 0.896 2.106) 5.735 17.478 ( -10.541 3.677 -1.862) 11.319 18.073 ( -2.872 1.693 4.181) 5.348 18.882 ( 1.847 -1.568 0.301) 2.441 20.717 ( 0.405 -2.068 -0.221) 2.119 20.793 ( 0.957 -2.105 -0.489) 2.364 29.332 ( 4.202 2.816 0.652) 5.101 29.452 ( 1.417 -2.289 -1.843) 3.262 36.099 ( -4.663 1.305 0.699) 4.892 36.368 ( -4.558 1.781 -0.868) 4.970 36.797 ( -7.077 -9.412 4.166) 12.491 40.986 ( 9.243 18.007 -2.242) 20.364 ======================= Grid point 404 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -2.131 -13.220 -5.851) 14.613 1.961 ( 1.705 -5.607 -2.837) 6.511 2.313 ( -1.334 -6.332 1.414) 6.624 2.566 ( 0.399 3.719 -2.192) 4.336 3.207 ( 0.183 11.376 16.696) 20.204 4.213 ( -0.548 -2.590 6.223) 6.763 5.282 ( 4.142 4.105 -3.812) 6.967 6.253 ( 4.738 13.599 1.031) 14.438 6.903 ( -7.526 -2.516 3.882) 8.834 7.820 ( -0.478 -12.635 2.596) 12.908 8.343 ( -2.902 -7.483 3.577) 8.787 8.598 ( -3.565 4.210 -0.932) 5.594 9.205 ( 0.503 1.369 -1.298) 1.952 9.352 ( 13.386 -12.334 -10.674) 21.101 10.266 ( -2.179 1.877 8.841) 9.297 10.672 ( -2.773 5.141 -3.358) 6.738 12.488 ( 6.427 23.725 -7.244) 25.625 12.667 ( -6.933 -16.749 -1.523) 18.191 17.282 ( -7.710 0.006 -0.470) 7.725 17.515 ( 10.229 4.045 3.091) 11.426 18.064 ( -3.756 2.800 4.683) 6.624 18.864 ( 0.294 -5.362 -1.483) 5.571 20.696 ( 0.093 -2.488 -0.882) 2.641 20.784 ( 0.085 -0.454 -0.715) 0.851 29.384 ( -0.621 -3.171 0.131) 3.234 29.470 ( 0.938 7.031 -0.323) 7.100 36.079 ( 0.152 0.531 0.945) 1.094 36.331 ( 2.510 -0.662 -0.742) 2.700 36.672 ( -2.512 -5.739 3.480) 7.166 41.213 ( -0.229 13.331 0.162) 13.334 ======================= Grid point 405 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 18.261 -8.451 -4.038) 20.523 1.995 ( 7.877 -3.229 -3.854) 9.345 2.324 ( 5.548 -5.539 5.899) 9.811 2.644 ( 9.903 -3.861 -7.210) 12.843 3.499 ( 11.111 9.830 14.423) 20.691 4.332 ( 14.032 -1.984 7.286) 15.934 5.449 ( 17.194 -3.068 -2.537) 17.649 6.347 ( -0.549 -7.975 5.437) 9.668 6.767 ( -3.310 -0.600 -2.213) 4.027 7.609 ( -19.687 6.381 1.777) 20.771 8.238 ( -1.724 -23.270 2.391) 23.456 8.616 ( -6.763 13.741 -2.298) 15.487 9.201 ( 4.122 5.785 -0.767) 7.145 9.438 ( 22.240 -20.422 -7.850) 31.198 10.402 ( 2.473 7.982 9.758) 12.847 10.675 ( 3.947 0.823 -4.054) 5.717 12.180 ( -19.939 -14.653 -0.201) 24.745 12.739 ( -11.617 24.177 -8.366) 28.098 17.232 ( 1.772 2.212 0.223) 2.843 17.711 ( 7.754 -1.070 -0.270) 7.832 18.053 ( -4.777 3.179 8.906) 10.594 18.799 ( 0.707 -5.379 -2.687) 6.054 20.665 ( 0.056 -2.831 -1.369) 3.145 20.782 ( -0.605 1.369 -0.654) 1.634 29.309 ( -3.936 -2.627 0.164) 4.735 29.548 ( -1.819 8.866 0.100) 9.051 36.102 ( 2.667 -2.024 0.802) 3.443 36.460 ( 13.004 -1.869 -0.079) 13.138 36.634 ( 0.830 -0.534 1.992) 2.223 41.229 ( -10.592 8.358 2.716) 13.763 ======================= Grid point 406 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 22.139 -1.245 3.515) 22.451 2.091 ( 8.914 -0.731 -5.055) 10.274 2.355 ( -0.098 -5.497 5.860) 8.035 2.667 ( 5.179 -10.821 -10.722) 16.089 3.879 ( 18.696 5.421 8.595) 21.279 4.606 ( 11.592 -6.071 10.989) 17.087 5.731 ( 27.481 -18.776 -2.916) 33.410 6.263 ( 8.094 -11.564 2.250) 14.293 6.781 ( 5.036 0.679 -6.487) 8.240 7.381 ( -21.944 18.196 1.328) 28.538 7.769 ( -18.257 -35.692 2.674) 40.180 8.589 ( -4.887 6.603 -2.019) 8.459 9.348 ( 7.150 -4.414 -3.422) 9.073 9.788 ( 28.386 11.868 -1.135) 30.788 10.455 ( -2.459 -2.974 5.429) 6.661 10.844 ( 11.182 5.259 0.748) 12.380 11.721 ( -23.982 -4.896 1.161) 24.504 12.560 ( -24.375 15.581 -8.521) 30.158 17.363 ( 7.793 4.396 -0.535) 8.963 17.736 ( 3.342 -4.027 -5.080) 7.293 18.034 ( -6.417 -1.620 12.233) 13.909 18.796 ( 3.371 -0.508 -1.397) 3.684 20.636 ( 0.547 -2.654 -1.538) 3.116 20.780 ( -1.447 2.338 -0.402) 2.779 29.229 ( -3.170 -1.170 0.152) 3.382 29.573 ( -5.252 9.031 0.027) 10.447 36.131 ( 2.669 -1.630 -0.548) 3.175 36.582 ( 6.582 -9.415 5.641) 12.798 36.781 ( 11.727 5.507 -4.297) 13.650 41.099 ( -14.235 6.748 5.104) 16.560 ======================= Grid point 411 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 9.545 15.170 -4.983) 18.603 1.937 ( 13.346 4.608 3.373) 14.517 2.393 ( 8.516 4.899 -2.168) 10.061 2.557 ( 3.822 0.836 3.265) 5.095 3.704 ( -2.680 9.930 -12.198) 15.955 4.440 ( 9.367 14.249 -6.512) 18.253 5.393 ( 8.986 13.481 4.759) 16.886 6.435 ( 5.240 -3.833 -6.109) 8.915 6.716 ( 2.236 -8.617 4.516) 9.982 7.657 ( -15.818 -12.814 -4.554) 20.860 8.296 ( 18.746 -14.930 -4.928) 24.466 8.584 ( -14.565 0.156 1.805) 14.677 9.177 ( -1.384 6.245 3.124) 7.118 9.318 ( 28.865 13.818 6.676) 32.691 10.551 ( -5.148 5.230 -9.194) 11.764 10.604 ( 0.560 5.232 5.100) 7.328 12.155 ( -1.816 -21.652 3.096) 21.948 12.620 ( -22.198 -0.097 6.500) 23.130 17.243 ( -0.029 3.046 -1.201) 3.274 17.684 ( 3.021 1.697 2.763) 4.432 18.216 ( -6.478 0.412 -11.621) 13.311 18.750 ( 5.954 -1.519 3.665) 7.155 20.649 ( 3.105 -1.667 0.746) 3.603 20.769 ( -1.721 0.491 0.947) 2.025 29.314 ( 0.979 -4.689 -0.434) 4.810 29.540 ( -9.304 2.863 1.020) 9.788 36.117 ( 2.469 0.474 -1.133) 2.757 36.437 ( 6.041 11.607 2.489) 13.320 36.698 ( 3.702 -1.426 -5.810) 7.035 41.248 ( -14.718 -3.012 0.346) 15.027 ======================= Grid point 412 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 14.717 15.046 0.576) 21.055 2.077 ( 1.081 3.336 1.322) 3.748 2.466 ( 1.949 -2.126 -4.868) 5.658 2.817 ( 13.324 4.019 9.043) 16.597 3.807 ( 3.630 20.906 -9.227) 23.138 4.670 ( 3.334 13.640 -7.364) 15.855 5.808 ( 8.028 32.650 6.186) 34.187 6.455 ( 3.424 3.200 -5.125) 6.945 6.683 ( -1.191 2.812 1.024) 3.221 7.319 ( 0.709 -25.901 -1.950) 25.984 8.196 ( -16.718 -8.050 -0.687) 18.568 8.489 ( 4.367 -12.709 0.708) 13.457 9.147 ( -5.381 11.272 -1.899) 12.634 9.892 ( 20.155 7.466 2.630) 21.653 10.510 ( -0.019 4.962 -7.007) 8.586 10.805 ( 10.070 9.907 4.782) 14.914 11.697 ( -24.352 -26.121 6.671) 36.329 12.379 ( -4.039 -9.206 2.158) 10.282 17.290 ( -0.067 6.983 -2.351) 7.368 17.770 ( 3.040 0.088 5.507) 6.290 18.055 ( -5.745 0.591 -9.619) 11.219 18.834 ( 3.823 -1.164 2.031) 4.483 20.682 ( 2.225 -1.387 0.451) 2.661 20.752 ( -0.667 -0.865 0.905) 1.418 29.286 ( 2.205 -4.997 -1.100) 5.571 29.409 ( -8.561 0.242 1.068) 8.630 36.174 ( 3.535 0.715 0.217) 3.613 36.628 ( -3.314 9.497 1.220) 10.133 36.811 ( 15.389 5.727 -4.032) 16.907 40.919 ( -18.193 -5.474 -0.664) 19.010 ======================= Grid point 413 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 8.049 6.869 1.477) 10.684 2.113 ( -1.563 4.557 2.367) 5.368 2.420 ( -1.897 -3.224 -2.319) 4.401 3.046 ( 8.723 -2.309 5.279) 10.454 4.048 ( 2.424 20.875 -4.517) 21.495 4.691 ( -11.531 10.163 -1.519) 15.445 6.023 ( -14.586 22.213 -0.355) 26.576 6.601 ( 7.735 -0.109 -3.310) 8.414 7.011 ( 14.689 45.541 -1.302) 47.869 7.180 ( 14.902 -31.887 3.336) 35.355 7.668 ( -35.917 -2.842 -3.742) 36.223 8.335 ( 3.376 -27.063 3.323) 27.475 9.277 ( 3.291 15.129 -3.505) 15.875 10.194 ( 10.486 0.867 -0.118) 10.523 10.451 ( -3.204 -7.363 -4.514) 9.212 11.052 ( 4.321 0.665 2.663) 5.119 11.164 ( -14.781 -9.627 5.998) 18.632 12.327 ( 7.363 -7.014 1.264) 10.247 17.325 ( -1.943 6.093 -3.693) 7.385 17.772 ( -3.485 -3.587 1.732) 5.293 18.019 ( 2.271 4.216 -0.270) 4.797 18.873 ( 0.999 -0.498 0.691) 1.313 20.700 ( 1.193 -0.971 0.014) 1.538 20.741 ( 0.514 -1.857 0.521) 1.996 29.285 ( 0.156 -2.376 -1.127) 2.635 29.295 ( -1.670 -1.818 0.554) 2.530 36.231 ( 2.843 -1.395 0.762) 3.257 36.614 ( -6.664 8.215 -0.535) 10.591 37.092 ( 9.352 4.198 -1.004) 10.300 40.625 ( -10.387 -0.536 -0.766) 10.429 ======================= Grid point 414 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -5.457 -0.875 -1.168) 5.648 2.193 ( 3.210 4.534 2.282) 6.006 2.327 ( -5.388 -3.112 2.383) 6.662 3.090 ( 0.691 -7.006 -2.948) 7.632 4.111 ( -18.500 10.452 6.915) 22.345 4.554 ( -12.109 11.815 0.461) 16.924 6.003 ( -6.112 16.796 -4.152) 18.350 6.483 ( -39.034 7.626 -7.208) 40.420 6.966 ( -10.513 5.180 -3.882) 12.346 7.209 ( 21.093 -32.276 8.690) 39.524 7.929 ( 22.424 38.377 3.244) 44.566 8.202 ( 11.848 -27.301 0.374) 29.764 9.376 ( -5.677 9.503 -1.501) 11.171 9.931 ( -19.563 -16.355 0.135) 25.500 10.581 ( 12.303 -2.885 0.855) 12.666 11.019 ( -3.999 -1.840 -3.987) 5.939 11.096 ( 5.361 10.863 0.856) 12.144 12.482 ( 16.017 -7.833 0.459) 17.835 17.296 ( -3.427 1.595 -2.699) 4.644 17.699 ( -3.278 0.963 0.843) 3.519 18.113 ( 1.929 2.911 3.409) 4.880 18.868 ( -0.931 -0.337 -0.048) 0.991 20.701 ( 0.357 -1.426 -0.086) 1.472 20.743 ( 1.585 -1.499 -0.288) 2.200 29.239 ( -0.435 -0.408 0.832) 1.024 29.332 ( 4.566 -1.227 -1.523) 4.967 36.235 ( -0.434 -2.454 0.036) 2.492 36.581 ( -7.377 9.221 0.467) 11.818 37.107 ( -6.121 -6.150 0.238) 8.680 40.626 ( 6.213 8.323 -0.082) 10.386 ======================= Grid point 415 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -14.327 -3.648 -3.438) 15.179 2.144 ( -8.181 -8.634 2.407) 12.135 2.312 ( 1.085 2.397 2.152) 3.400 2.920 ( -8.912 -5.354 -9.103) 13.818 3.783 ( -31.755 9.373 14.569) 36.173 4.501 ( -9.373 3.401 5.094) 11.197 5.723 ( -37.649 1.350 -8.160) 38.547 6.118 ( 0.854 14.860 -2.019) 15.021 6.999 ( 1.120 -1.371 3.406) 3.838 7.358 ( 21.262 -15.222 5.628) 26.748 8.158 ( 18.548 -29.376 -1.211) 34.762 8.531 ( 6.393 20.524 1.518) 21.550 9.272 ( -6.578 -3.533 0.464) 7.481 9.529 ( -18.885 4.011 -3.325) 19.590 10.522 ( -9.360 -8.699 5.595) 13.949 10.917 ( -8.627 11.757 -5.913) 15.736 11.626 ( 35.646 16.827 -3.758) 39.597 12.606 ( 10.702 -14.799 -1.555) 18.329 17.263 ( 0.557 -0.527 1.839) 1.992 17.661 ( -6.532 5.075 -1.106) 8.345 18.151 ( -1.462 1.163 4.384) 4.765 18.845 ( -0.351 -2.046 -0.965) 2.290 20.686 ( 0.298 -2.361 -0.551) 2.443 20.758 ( 1.393 -0.226 -0.723) 1.586 29.273 ( 4.053 -0.478 0.547) 4.118 29.399 ( 3.807 2.339 -0.697) 4.522 36.182 ( -3.531 -0.643 -0.279) 3.600 36.533 ( -9.117 7.378 -0.395) 11.735 36.858 ( -10.628 -11.501 2.491) 15.856 40.919 ( 14.360 11.518 1.141) 18.444 ======================= Grid point 416 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -24.264 -2.910 -2.389) 24.554 1.899 ( -7.236 -11.314 -2.958) 13.752 2.309 ( -2.079 -4.060 0.987) 4.667 2.676 ( -10.055 0.158 -5.966) 11.693 3.556 ( -16.682 12.589 17.523) 27.273 4.326 ( -12.892 -3.654 6.843) 15.047 5.306 ( -9.487 -1.370 -5.777) 11.192 6.270 ( 4.282 5.306 0.987) 6.889 6.909 ( -1.984 -20.573 7.690) 22.052 7.688 ( 16.284 14.130 -0.775) 21.574 8.180 ( 14.872 -27.371 0.166) 31.151 8.556 ( -4.972 -3.434 -1.025) 6.129 9.144 ( -2.892 -11.144 -2.792) 11.847 9.344 ( -13.989 12.370 -2.239) 18.808 10.371 ( -4.093 1.542 5.110) 6.726 10.857 ( -9.428 10.726 -3.910) 14.806 12.348 ( 25.308 10.145 -5.706) 27.856 12.559 ( 6.309 -4.420 -1.921) 7.940 17.326 ( 3.705 -0.946 3.665) 5.296 17.555 ( -8.906 5.464 -1.046) 10.501 18.164 ( -1.445 1.515 6.363) 6.698 18.795 ( -0.465 -5.216 -2.982) 6.027 20.660 ( 0.214 -3.117 -1.221) 3.355 20.777 ( 0.805 1.408 -0.799) 1.808 29.332 ( 3.453 -2.123 -0.325) 4.067 29.506 ( 3.361 7.563 0.811) 8.316 36.120 ( -3.429 0.093 0.481) 3.464 36.403 ( -9.794 3.187 -1.869) 10.467 36.668 ( -3.024 -7.797 4.091) 9.310 41.242 ( 9.901 8.920 2.587) 13.575 ======================= Grid point 417 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -7.452 2.735 4.343) 9.049 1.741 ( 6.129 -9.526 -9.776) 14.963 2.235 ( 0.134 -5.259 3.956) 6.582 2.564 ( -2.526 -0.200 -2.434) 3.513 3.607 ( -2.651 9.641 14.597) 17.693 4.192 ( 0.978 -5.180 5.629) 7.712 5.225 ( 4.253 -6.565 -2.734) 8.286 6.295 ( -1.633 -13.609 6.764) 15.285 6.709 ( 0.335 -14.916 -0.844) 14.943 8.007 ( -6.060 20.205 -0.357) 21.097 8.062 ( -2.009 -21.857 4.255) 22.358 8.542 ( 18.644 -15.184 -5.496) 24.665 9.033 ( 6.221 -5.540 -2.366) 8.660 9.164 ( -10.921 1.079 -2.482) 11.251 10.486 ( 4.647 12.263 5.005) 14.037 10.761 ( -10.072 6.553 -2.341) 12.242 12.225 ( -7.046 -18.410 -0.826) 19.730 13.007 ( 8.777 29.081 -8.322) 31.496 17.282 ( -5.903 0.791 -0.442) 5.972 17.595 ( 5.645 0.703 2.655) 6.277 18.188 ( -2.306 0.876 9.159) 9.485 18.715 ( 0.288 -5.178 -4.075) 6.596 20.624 ( 0.206 -3.425 -1.636) 3.801 20.802 ( 0.136 2.873 -0.722) 2.966 29.333 ( -0.841 -1.406 -0.438) 1.696 29.641 ( 1.597 9.736 0.866) 9.904 36.077 ( -1.236 -1.773 1.594) 2.685 36.345 ( 0.925 2.849 -1.286) 3.260 36.613 ( 0.508 -3.570 3.119) 4.768 41.405 ( -0.536 4.849 4.082) 6.361 ======================= Grid point 418 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 15.297 6.078 10.532) 19.542 1.802 ( 15.340 -8.131 -11.216) 20.670 2.279 ( 6.029 -4.966 4.955) 9.250 2.510 ( -1.011 -3.351 -3.864) 5.214 3.755 ( 7.036 3.795 7.388) 10.885 4.353 ( 17.207 -4.728 8.962) 19.969 5.228 ( 9.803 -17.470 -0.616) 20.042 6.074 ( -1.741 -22.750 3.982) 23.161 6.650 ( 4.829 -7.965 -5.960) 11.058 7.673 ( -14.994 -33.443 1.104) 36.667 7.911 ( -16.821 11.630 5.063) 21.067 8.677 ( 14.096 -13.603 -4.680) 20.140 8.909 ( -2.098 -9.485 -8.830) 13.128 9.532 ( 29.131 24.996 4.363) 38.632 10.614 ( -11.171 3.838 3.488) 12.317 10.757 ( 8.632 11.383 0.587) 14.298 11.921 ( -11.436 -12.087 1.614) 16.718 13.129 ( -19.793 25.846 -11.084) 34.390 17.280 ( 4.478 2.805 0.436) 5.302 17.638 ( 1.097 -4.567 -2.473) 5.308 18.173 ( -4.762 -3.718 10.424) 12.048 18.719 ( 4.746 0.822 -0.996) 4.918 20.589 ( 0.555 -3.281 -1.674) 3.725 20.826 ( -0.805 3.678 -0.523) 3.801 29.285 ( -3.593 0.261 -0.312) 3.616 29.732 ( -2.534 10.013 0.132) 10.329 36.074 ( 1.963 -1.557 1.169) 2.765 36.420 ( 5.624 -2.545 1.334) 6.315 36.669 ( 6.381 2.148 0.455) 6.748 41.375 ( -9.207 2.838 5.601) 11.144 ======================= Grid point 485 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.000 0.000 9.835) 9.835 0.893 ( 0.000 0.000 9.835) 9.835 1.806 ( -0.000 0.000 27.035) 27.035 2.580 ( 0.000 -0.000 -17.574) 17.574 2.580 ( 0.000 -0.000 -17.574) 17.574 3.359 ( 0.000 -0.000 -6.342) 6.342 3.526 ( 0.000 -0.000 -8.171) 8.171 3.526 ( 0.000 -0.000 -8.171) 8.171 4.675 ( -0.000 0.000 3.454) 3.454 6.860 ( 0.000 -0.000 -3.322) 3.322 7.887 ( -0.000 0.000 15.194) 15.194 7.887 ( -0.000 0.000 15.194) 15.194 9.593 ( -0.000 0.000 6.524) 6.524 9.593 ( -0.000 0.000 6.524) 6.524 10.868 ( 0.000 -0.000 -10.891) 10.891 10.868 ( 0.000 -0.000 -10.891) 10.891 11.532 ( 0.000 -0.000 -0.918) 0.918 14.328 ( 0.000 -0.000 -2.508) 2.508 17.583 ( -0.000 0.000 2.437) 2.437 17.583 ( 0.000 0.000 2.437) 2.437 17.801 ( 0.000 0.000 -1.408) 1.408 17.801 ( 0.000 -0.000 -1.408) 1.408 21.200 ( -0.000 0.000 2.647) 2.647 21.648 ( 0.000 -0.000 -1.781) 1.781 29.996 ( 0.000 -0.000 -0.894) 0.894 30.369 ( -0.000 0.000 0.747) 0.747 36.097 ( -0.000 0.000 3.205) 3.205 36.097 ( -0.000 0.000 3.205) 3.205 36.500 ( 0.000 -0.000 -2.756) 2.756 36.500 ( 0.000 -0.000 -2.756) 2.756 ======================= Grid point 486 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 23.760 -1.967 2.517) 23.974 1.436 ( 12.919 13.059 2.255) 18.508 1.954 ( 10.013 0.672 1.655) 10.171 2.724 ( 15.293 15.379 -11.478) 24.538 2.979 ( 23.386 26.807 2.041) 35.633 3.163 ( -6.823 -8.155 1.281) 10.710 3.474 ( 11.165 4.630 -4.109) 12.766 3.726 ( 18.789 6.943 -9.725) 22.267 4.570 ( -5.964 -4.830 1.187) 7.766 6.811 ( 0.473 1.650 1.678) 2.400 7.876 ( -2.274 -5.108 14.896) 15.911 8.114 ( 7.880 8.157 13.797) 17.860 9.680 ( 8.364 -10.552 7.754) 15.538 10.158 ( 29.781 24.424 -13.095) 40.681 10.653 ( -6.354 -1.491 -12.381) 13.996 10.898 ( -2.124 3.548 -9.734) 10.576 11.766 ( 20.691 12.183 2.061) 24.099 14.016 ( -26.331 -17.851 -4.410) 32.116 17.495 ( -3.474 -5.941 2.059) 7.183 17.675 ( -2.917 6.486 1.841) 7.346 17.754 ( 0.032 2.329 -2.122) 3.151 17.979 ( 16.924 4.439 -2.712) 17.706 21.177 ( -3.386 -1.941 2.326) 4.544 21.418 ( -16.136 -8.830 4.429) 18.920 29.853 ( -12.795 -7.853 4.131) 15.570 30.173 ( -10.923 -6.136 -1.833) 12.662 36.170 ( 4.117 -1.777 3.302) 5.569 36.425 ( -2.057 -2.787 -3.115) 4.658 36.602 ( 9.344 5.900 -1.688) 11.179 37.104 ( 70.254 45.774 -24.650) 87.399 ======================= Grid point 487 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 23.389 1.686 -1.221) 23.481 1.655 ( 2.948 13.524 2.011) 13.987 2.169 ( 15.840 1.556 -10.955) 19.322 2.857 ( -10.360 -7.765 16.029) 20.604 3.029 ( -5.514 9.631 -13.511) 17.485 3.420 ( 21.877 16.456 3.167) 27.557 4.077 ( 23.474 14.961 -7.275) 28.771 4.465 ( 21.427 0.742 2.038) 21.536 4.543 ( 42.313 27.041 -5.631) 50.531 6.956 ( 10.158 6.558 2.320) 12.311 7.884 ( 0.594 -4.402 14.299) 14.973 8.410 ( 9.517 8.810 10.423) 16.638 9.712 ( 1.659 -9.836 6.568) 11.943 10.372 ( 1.735 -6.068 -9.204) 11.160 10.752 ( 8.442 16.417 -15.917) 24.375 10.788 ( -3.595 2.321 -9.711) 10.612 12.245 ( 6.450 10.342 14.577) 19.001 13.187 ( -32.629 -27.144 -12.083) 44.130 17.399 ( -3.420 -4.001 1.482) 5.469 17.631 ( -2.793 -2.173 -0.958) 3.666 17.814 ( 0.273 8.123 0.391) 8.137 18.350 ( 20.337 8.172 -5.247) 22.537 21.061 ( -8.696 -4.608 3.800) 10.549 21.154 ( -9.322 -4.867 4.686) 11.513 29.556 ( -13.619 -8.276 4.088) 16.453 29.960 ( -7.383 -4.605 -4.598) 9.842 36.201 ( -2.092 1.033 0.293) 2.351 36.374 ( 2.565 -5.196 -0.278) 5.801 36.836 ( 10.324 6.522 1.834) 12.349 38.471 ( 60.020 38.642 -36.167) 80.022 ======================= Grid point 488 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 10.936 -2.646 0.623) 11.269 1.868 ( 5.309 14.457 -1.591) 15.483 2.305 ( 3.207 -1.336 -3.823) 5.166 2.684 ( -6.424 -2.869 4.701) 8.462 2.999 ( -0.402 5.418 -2.603) 6.024 3.966 ( 19.488 14.706 1.088) 24.438 4.452 ( 6.118 13.693 -2.062) 15.139 4.717 ( 34.541 1.582 -14.059) 37.327 5.751 ( 46.734 28.318 2.958) 54.724 7.272 ( 17.891 8.357 1.361) 19.794 7.997 ( 7.491 2.088 12.810) 14.986 8.666 ( 7.835 4.539 5.122) 10.402 9.599 ( -7.420 -6.965 1.517) 10.289 10.349 ( 3.492 -2.845 0.643) 4.550 10.560 ( -15.876 -1.190 -5.503) 16.845 10.985 ( 8.505 7.211 -19.990) 22.890 11.761 ( -42.697 -28.198 15.289) 53.403 12.938 ( 7.371 5.679 -3.266) 9.862 17.321 ( -2.538 -2.500 0.128) 3.565 17.557 ( -1.018 -4.775 -1.852) 5.222 17.910 ( 1.082 8.958 -0.054) 9.023 18.694 ( 14.695 6.255 -4.019) 16.468 20.906 ( -7.036 -3.449 4.468) 9.020 21.009 ( -6.403 -3.426 1.462) 7.407 29.332 ( -7.235 -4.320 1.476) 8.555 29.782 ( -6.434 -4.455 -3.746) 8.676 36.143 ( -3.747 0.336 -2.206) 4.362 36.389 ( 3.286 -4.940 2.127) 6.303 37.025 ( 3.681 4.455 1.416) 5.950 39.467 ( 43.509 27.344 -25.598) 57.411 ======================= Grid point 489 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -10.577 -6.338 5.627) 13.554 2.053 ( 3.287 10.702 -4.161) 11.944 2.338 ( 5.407 2.136 -2.182) 6.210 2.580 ( -4.892 -8.362 3.965) 10.468 3.108 ( 8.468 7.068 -8.028) 13.642 4.278 ( 6.518 7.588 -2.282) 10.260 4.716 ( 13.338 9.695 -0.112) 16.490 5.300 ( 34.964 8.678 -10.875) 37.631 6.522 ( 19.854 14.114 3.069) 24.552 7.708 ( 22.173 11.211 0.486) 24.851 8.327 ( 16.226 10.794 10.372) 22.076 8.777 ( 2.185 -2.778 -0.895) 3.646 9.354 ( -20.360 0.879 -1.715) 20.451 10.023 ( -31.407 -25.585 0.137) 40.510 10.404 ( 4.336 -3.678 5.011) 7.578 10.745 ( -13.605 -5.620 -11.939) 18.954 11.487 ( 12.538 2.136 4.166) 13.383 13.038 ( -4.397 4.847 5.212) 8.367 17.278 ( -1.568 1.215 -0.631) 2.082 17.497 ( 2.181 -6.718 -2.420) 7.466 18.009 ( 1.445 8.065 -2.124) 8.465 18.893 ( 6.041 2.176 -1.309) 6.553 20.805 ( -4.338 -2.205 2.393) 5.423 20.890 ( -5.121 -2.707 1.004) 5.878 29.257 ( -0.101 -0.277 0.896) 0.944 29.624 ( -5.890 -3.859 -2.449) 7.455 36.088 ( -1.308 -0.058 -2.165) 2.531 36.389 ( 0.869 -4.873 2.088) 5.372 37.040 ( -4.644 1.266 -1.893) 5.172 40.219 ( 32.447 19.611 -11.344) 39.574 ======================= Grid point 490 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -15.330 -3.906 5.305) 16.686 2.088 ( -4.968 1.599 -3.761) 6.433 2.415 ( -3.939 -6.421 7.448) 10.594 2.473 ( 5.685 0.746 -4.967) 7.586 3.290 ( 11.641 7.144 -14.285) 19.764 4.353 ( -0.208 2.462 -4.335) 4.990 5.020 ( 12.674 4.950 2.859) 13.904 5.884 ( 30.155 8.303 -7.576) 32.182 6.812 ( 5.775 6.788 2.351) 9.218 8.167 ( 15.037 14.941 0.579) 21.206 8.509 ( -26.694 -15.462 -5.705) 31.372 8.649 ( -4.316 9.141 4.104) 10.910 9.047 ( -3.055 9.294 -1.439) 9.888 9.448 ( -3.811 -34.243 7.078) 35.174 10.452 ( -1.883 0.081 3.608) 4.071 10.548 ( -1.572 1.014 -6.834) 7.085 11.865 ( 22.984 7.159 3.859) 24.380 12.923 ( -15.431 0.373 5.585) 16.414 17.277 ( -3.152 6.066 -0.228) 6.839 17.493 ( 7.867 -8.177 -2.703) 11.664 18.088 ( 1.859 6.703 -4.707) 8.399 18.926 ( -1.847 -1.613 0.945) 2.628 20.740 ( -2.510 -1.383 0.464) 2.903 20.802 ( -3.470 -1.974 1.684) 4.333 29.319 ( 5.174 2.295 0.984) 5.745 29.490 ( -5.314 -2.772 -1.244) 6.121 36.080 ( 1.215 0.166 -1.609) 2.023 36.351 ( -0.848 -4.473 1.616) 4.831 36.908 ( -8.472 -0.652 -4.514) 9.622 40.803 ( 23.043 13.619 -1.903) 26.834 ======================= Grid point 491 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -10.613 -0.374 0.872) 10.656 1.917 ( -8.853 -7.819 2.762) 12.130 2.333 ( -3.072 -2.391 -0.662) 3.949 2.543 ( 1.703 1.154 0.195) 2.066 3.469 ( 10.910 7.412 -17.098) 21.594 4.301 ( -3.355 -0.960 -4.882) 6.001 5.221 ( 6.739 -1.866 4.063) 8.087 6.297 ( 14.992 1.616 -4.764) 15.814 6.934 ( -3.745 7.050 0.159) 7.984 7.867 ( -15.880 -5.900 -3.448) 17.288 8.415 ( -8.133 -1.659 -5.742) 10.093 8.584 ( 1.452 6.542 0.857) 6.756 9.168 ( -2.596 -22.298 9.119) 24.230 9.193 ( 0.492 2.788 4.163) 5.034 10.388 ( 0.567 -0.023 -6.171) 6.197 10.623 ( 3.458 6.417 2.319) 7.649 12.373 ( 22.064 7.450 7.429) 24.444 12.637 ( -15.419 -2.457 2.361) 15.791 17.276 ( -3.872 6.338 0.226) 7.431 17.558 ( 8.546 -6.306 -2.384) 10.885 18.157 ( 2.947 5.816 -7.424) 9.880 18.832 ( -6.489 -3.957 2.823) 8.108 20.685 ( -2.886 -1.711 0.557) 3.401 20.769 ( -0.018 -0.227 1.348) 1.367 29.387 ( -3.894 -1.553 -0.332) 4.205 29.463 ( 7.959 3.486 0.590) 8.709 36.097 ( 0.749 0.182 -1.383) 1.583 36.314 ( 0.439 -2.551 1.468) 2.976 36.737 ( -7.217 -1.328 -4.972) 8.864 41.211 ( 13.709 8.225 0.553) 15.996 ======================= Grid point 498 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -10.841 30.333 -1.970) 32.273 1.349 ( 6.574 15.570 -9.582) 19.428 1.843 ( -5.460 -9.562 5.798) 12.444 2.660 ( 3.517 21.338 -10.036) 23.841 3.008 ( 12.126 39.940 6.740) 42.280 3.254 ( -3.499 2.199 5.483) 6.866 3.526 ( 6.897 13.576 -6.049) 16.384 3.584 ( -10.988 13.377 -11.411) 20.734 4.559 ( -1.316 -10.228 -0.006) 10.313 6.812 ( 1.084 1.368 1.286) 2.168 8.009 ( -7.242 0.279 13.996) 15.762 8.116 ( 7.219 4.608 13.270) 15.794 9.564 ( -10.154 -5.470 6.473) 13.226 10.166 ( 3.394 26.407 -6.541) 27.416 10.631 ( 1.797 -0.589 -11.931) 12.080 10.880 ( 4.226 5.288 -10.648) 12.617 11.731 ( -0.036 19.443 2.402) 19.591 14.096 ( -2.116 -17.161 -6.858) 18.601 17.524 ( -5.586 -4.901 1.885) 7.667 17.666 ( 10.828 -3.093 0.335) 11.266 17.787 ( 3.527 8.826 -1.184) 9.578 17.900 ( -7.807 7.637 -0.761) 10.947 21.190 ( 0.009 -3.933 2.272) 4.542 21.427 ( 0.360 -17.953 3.386) 18.273 29.892 ( -0.409 -10.369 2.992) 10.800 30.157 ( 0.186 -15.353 -1.492) 15.426 36.073 ( -4.149 -2.878 2.801) 5.774 36.459 ( 9.698 1.980 -1.801) 10.060 36.540 ( -9.713 4.737 -1.535) 10.916 37.097 ( 4.145 80.585 -19.049) 82.910 ======================= Grid point 499 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -1.113 28.422 1.092) 28.465 1.673 ( 19.544 11.206 -12.348) 25.690 1.795 ( 7.652 -5.086 0.298) 9.193 3.076 ( 5.615 21.413 0.596) 22.145 3.133 ( 6.438 3.921 9.868) 12.418 3.391 ( -11.193 9.393 -9.341) 17.343 3.837 ( 17.020 15.275 -8.049) 24.245 4.094 ( 34.246 57.133 4.566) 66.767 4.420 ( -0.687 -6.091 -3.680) 7.149 6.914 ( 5.207 7.465 2.318) 9.392 7.959 ( -4.555 -1.822 13.555) 14.416 8.386 ( 9.338 6.669 10.526) 15.571 9.506 ( 5.178 -11.860 6.047) 14.284 10.275 ( 0.698 0.962 -7.741) 7.831 10.678 ( 4.361 9.253 -11.780) 15.602 10.902 ( -1.987 6.606 -9.592) 11.815 12.140 ( 19.333 16.501 7.991) 26.644 13.527 ( -35.263 -22.943 -10.485) 43.357 17.397 ( -3.990 -6.846 1.408) 8.048 17.706 ( -2.216 0.681 -1.306) 2.661 17.885 ( -0.395 4.959 -0.217) 4.980 18.085 ( 16.785 12.684 -2.232) 21.156 21.119 ( -3.823 -6.886 2.159) 8.166 21.232 ( -5.814 -12.721 4.827) 14.797 29.693 ( -10.714 -12.617 4.729) 17.215 29.970 ( -4.274 -9.609 -4.556) 11.462 36.117 ( 9.141 -4.819 1.957) 10.517 36.385 ( -10.509 3.579 -1.650) 11.224 36.724 ( 14.711 4.673 2.128) 15.581 38.050 ( 30.911 69.539 -28.793) 81.365 ======================= Grid point 500 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 4.491 16.746 -2.247) 17.483 1.911 ( 4.047 12.306 0.247) 12.957 2.070 ( 20.569 0.776 -7.006) 21.743 2.968 ( -15.720 4.209 13.490) 21.138 3.236 ( -13.592 16.063 -7.277) 22.264 3.816 ( 27.764 26.626 0.729) 38.475 4.146 ( 17.528 -6.144 -12.949) 22.642 4.487 ( 9.446 19.394 -0.655) 21.582 5.269 ( 44.337 38.076 1.501) 58.462 7.131 ( 9.188 8.496 2.628) 12.787 8.009 ( 3.371 3.620 12.062) 13.037 8.624 ( 6.816 5.276 5.678) 10.321 9.478 ( 4.276 -18.663 5.391) 19.891 10.246 ( -0.146 -0.491 -4.359) 4.389 10.742 ( 3.462 3.300 -10.923) 11.924 10.906 ( -2.151 11.324 -8.530) 14.339 12.272 ( -36.304 -30.651 13.864) 49.495 12.832 ( 2.336 7.713 -9.484) 12.445 17.279 ( -1.607 -8.273 -0.013) 8.428 17.644 ( -6.647 3.871 -0.604) 7.715 17.959 ( 2.474 5.775 -0.467) 6.300 18.470 ( 16.948 9.806 -3.592) 19.907 20.979 ( -5.283 -7.260 3.349) 9.583 21.070 ( -5.320 -6.793 2.012) 8.860 29.431 ( -9.715 -7.703 2.361) 12.621 29.796 ( -4.452 -7.523 -3.644) 9.470 36.224 ( 4.949 -6.188 -1.256) 8.023 36.261 ( -4.486 4.339 0.554) 6.266 37.000 ( 9.153 5.351 3.697) 11.229 39.012 ( 34.326 46.330 -25.152) 62.908 ======================= Grid point 501 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -0.370 9.016 -0.561) 9.041 2.078 ( 3.181 11.664 -4.047) 12.750 2.270 ( 6.874 0.971 -3.927) 7.976 2.816 ( -17.188 8.249 10.217) 21.630 3.197 ( -7.250 18.375 -5.095) 20.400 4.239 ( 11.666 1.469 -8.836) 14.708 4.511 ( 21.767 19.193 -0.622) 29.027 4.932 ( 18.427 21.969 -2.788) 28.809 6.229 ( 35.572 18.288 2.227) 40.059 7.393 ( 17.029 2.019 1.414) 17.207 8.290 ( 11.609 14.707 9.438) 20.980 8.751 ( 1.448 2.838 0.679) 3.257 9.335 ( 0.621 -25.041 5.063) 25.556 10.187 ( -4.233 -3.896 -5.145) 7.718 10.729 ( -19.556 12.757 0.762) 23.362 10.851 ( -11.465 2.732 -19.524) 22.805 11.362 ( -14.874 -24.532 10.434) 30.528 13.047 ( 8.435 -1.119 6.015) 10.420 17.206 ( 2.529 -6.999 -0.777) 7.482 17.565 ( -7.583 5.328 -0.819) 9.304 18.049 ( 1.574 6.316 -1.689) 6.724 18.760 ( 11.286 4.348 -2.613) 12.374 20.857 ( -4.285 -4.688 2.179) 6.715 20.939 ( -4.479 -4.796 0.787) 6.609 29.279 ( -3.594 -2.645 1.181) 4.616 29.644 ( -4.004 -6.721 -1.969) 8.067 36.148 ( -4.932 2.670 -2.169) 6.013 36.319 ( 3.851 -2.160 0.969) 4.520 37.122 ( -1.250 3.491 0.772) 3.788 39.817 ( 32.579 27.294 -13.055) 44.461 ======================= Grid point 502 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -14.275 6.592 2.745) 15.962 2.188 ( -1.022 8.951 -5.463) 10.536 2.342 ( 5.529 -0.458 -6.532) 8.570 2.670 ( -16.458 10.952 10.651) 22.456 3.270 ( -2.129 20.015 -9.818) 22.395 4.376 ( 5.107 5.288 -8.522) 11.254 4.942 ( 8.442 18.707 3.373) 20.799 5.469 ( 26.480 14.133 -2.829) 30.148 6.745 ( 12.196 6.608 3.480) 14.301 7.844 ( 33.107 4.815 -1.207) 33.477 8.507 ( -4.774 -10.864 -3.233) 12.299 8.800 ( 1.271 10.992 3.444) 11.589 9.114 ( 2.741 -27.511 7.919) 28.759 9.691 ( -44.179 2.868 -6.624) 44.765 10.469 ( -0.581 3.828 2.027) 4.370 10.694 ( -12.068 7.493 -6.080) 15.452 11.470 ( 24.439 -7.935 3.826) 25.978 13.079 ( -3.116 -8.840 7.352) 11.913 17.235 ( 7.515 -3.656 -0.772) 8.393 17.490 ( -7.593 6.541 -0.915) 10.063 18.109 ( 0.528 5.511 -3.505) 6.552 18.892 ( 3.993 -0.722 -1.152) 4.219 20.770 ( -2.919 -2.588 0.594) 3.946 20.840 ( -3.314 -3.483 1.112) 4.935 29.266 ( 2.492 -0.091 0.856) 2.637 29.517 ( -3.381 -5.666 -0.488) 6.616 36.109 ( -2.903 4.599 -1.645) 5.682 36.344 ( 0.533 -0.358 0.536) 0.836 37.048 ( -9.231 1.819 -2.637) 9.771 40.476 ( 28.492 13.117 -2.998) 31.509 ======================= Grid point 503 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -18.625 11.492 2.514) 22.029 2.105 ( -12.360 3.583 -2.588) 13.126 2.362 ( 1.034 -2.392 -2.579) 3.666 2.637 ( -7.588 12.586 7.171) 16.352 3.401 ( 1.503 21.579 -15.540) 26.634 4.400 ( -4.496 8.045 -7.676) 11.994 5.205 ( 2.116 13.191 5.516) 14.453 5.990 ( 23.109 7.149 -1.720) 24.251 6.946 ( 7.320 4.673 2.121) 8.939 7.988 ( -21.015 -26.932 -9.050) 35.339 8.401 ( 19.511 9.966 -3.159) 22.136 8.673 ( -12.127 -20.216 1.479) 23.620 9.143 ( 0.909 0.508 11.447) 11.494 9.232 ( -10.634 10.817 -1.355) 15.229 10.500 ( -13.110 4.680 -6.630) 15.419 10.626 ( 6.606 9.687 3.896) 12.355 11.893 ( 32.531 -8.878 4.406) 34.008 12.866 ( -13.254 -12.010 4.883) 18.540 17.335 ( 7.115 -4.462 -2.859) 8.871 17.456 ( -4.351 10.597 1.290) 11.528 18.144 ( 0.927 4.413 -5.183) 6.870 18.880 ( -2.218 -3.345 0.602) 4.058 20.713 ( -2.178 -1.619 0.189) 2.721 20.778 ( -1.437 -1.982 1.376) 2.808 29.341 ( 5.393 -1.251 -0.532) 5.562 29.428 ( -1.252 -2.817 1.115) 3.278 36.113 ( -1.369 4.227 -1.059) 4.568 36.355 ( -1.450 4.499 0.861) 4.805 36.862 ( -11.406 0.512 -4.199) 12.165 40.965 ( 21.769 2.907 0.572) 21.970 ======================= Grid point 510 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -11.886 -4.060 -8.967) 15.433 1.572 ( -3.210 19.551 0.033) 19.813 2.034 ( -11.875 8.423 -8.367) 16.792 3.093 ( -17.421 10.745 0.026) 20.468 3.102 ( 6.140 25.994 -7.165) 27.653 3.146 ( 8.384 -0.939 19.644) 21.379 3.845 ( -13.176 12.871 -10.307) 21.107 4.145 ( -31.757 50.579 -0.134) 59.722 4.515 ( -2.750 2.560 -3.340) 5.027 6.895 ( -5.417 7.796 2.656) 9.858 8.087 ( 7.382 5.136 12.667) 15.534 8.273 ( -13.171 1.807 10.251) 16.787 9.733 ( -7.133 -9.449 6.227) 13.377 10.385 ( -12.926 3.458 -13.016) 18.667 10.478 ( 6.334 6.917 -8.832) 12.883 10.799 ( 4.817 5.124 -8.377) 10.938 12.062 ( -14.180 7.604 9.331) 18.600 13.645 ( 30.328 -13.525 -12.558) 35.502 17.461 ( 6.796 -5.643 0.538) 8.850 17.600 ( -6.504 -4.499 2.195) 8.208 17.787 ( 4.296 6.351 -0.754) 7.705 18.190 ( -14.275 13.246 -3.111) 19.721 21.116 ( 4.105 -7.526 2.386) 8.898 21.222 ( 5.937 -12.656 4.987) 14.843 29.702 ( 10.726 -12.811 4.720) 17.362 29.973 ( 3.884 -8.606 -4.906) 10.640 36.199 ( -5.698 -1.166 2.865) 6.484 36.312 ( 0.692 -5.119 -2.783) 5.868 36.794 ( -8.905 10.557 1.564) 13.899 37.969 ( -30.250 68.405 -27.955) 79.849 ======================= Grid point 511 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 16.530 -5.328 -11.081) 20.601 1.720 ( -2.535 20.496 2.327) 20.783 1.897 ( -9.480 8.548 -2.822) 13.073 2.991 ( 1.407 10.747 1.621) 10.960 3.326 ( -0.100 3.601 8.294) 9.043 3.457 ( 5.050 10.185 -5.158) 12.484 3.863 ( 2.853 27.772 -8.609) 29.215 4.375 ( -4.512 10.119 -6.809) 13.005 4.535 ( -2.437 60.203 5.465) 60.499 6.959 ( 0.636 11.237 2.658) 11.565 8.132 ( -9.748 -0.896 10.263) 14.183 8.339 ( 8.683 5.759 10.509) 14.799 9.517 ( -10.086 -6.111 6.059) 13.258 10.251 ( -1.121 -0.744 -4.269) 4.476 10.608 ( 7.625 2.836 -8.488) 11.758 10.855 ( 2.274 2.762 -10.223) 10.831 12.106 ( 5.145 3.612 11.743) 13.320 13.646 ( -6.851 -11.303 -19.663) 23.692 17.441 ( -7.423 -5.809 1.977) 9.631 17.556 ( 11.705 -5.646 -1.335) 13.064 17.910 ( 1.052 3.942 -1.312) 4.285 18.163 ( -3.429 18.796 0.650) 19.118 21.077 ( 0.291 -10.795 2.969) 11.200 21.174 ( 0.218 -11.001 3.831) 11.652 29.674 ( -0.119 -15.454 3.420) 15.828 29.889 ( -0.475 -8.216 -5.005) 9.632 36.047 ( -3.843 -2.558 2.401) 5.204 36.471 ( 14.665 0.529 -0.726) 14.693 36.671 ( -13.797 7.187 3.196) 15.882 38.358 ( 3.150 73.502 -26.152) 78.080 ======================= Grid point 512 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 27.661 1.979 -1.237) 27.759 1.835 ( -2.943 16.449 -3.017) 16.980 1.970 ( 5.036 11.273 3.183) 12.751 3.206 ( 12.608 -6.341 1.261) 14.169 3.308 ( -5.760 3.358 -1.976) 6.954 3.690 ( 17.977 21.025 -1.241) 27.690 4.059 ( -12.496 20.191 -7.770) 24.984 4.481 ( 15.480 20.355 -2.173) 25.665 5.274 ( 10.264 56.860 2.998) 57.857 7.144 ( 4.135 13.565 2.921) 14.479 8.073 ( -1.862 1.706 10.172) 10.481 8.576 ( 8.373 4.137 6.754) 11.525 9.348 ( -5.267 -11.392 5.144) 13.564 10.246 ( 0.428 -1.737 2.122) 2.775 10.632 ( 1.903 -1.156 -8.806) 9.083 10.912 ( 7.005 3.730 -8.589) 11.694 12.268 ( 7.419 -19.890 12.995) 24.891 13.115 ( -30.088 1.356 -19.458) 35.857 17.271 ( -6.170 -6.784 0.609) 9.191 17.695 ( 7.158 -0.715 -1.021) 7.266 17.916 ( 1.528 1.649 -2.594) 3.432 18.397 ( 6.229 17.868 1.388) 18.973 20.974 ( -2.038 -9.781 3.512) 10.590 21.074 ( -2.836 -7.991 1.591) 8.627 29.493 ( -6.072 -10.667 1.096) 12.323 29.761 ( -2.998 -7.655 -3.313) 8.863 36.061 ( 5.590 -2.214 1.052) 6.104 36.467 ( -10.844 4.177 -0.020) 11.621 36.823 ( 16.446 1.304 5.704) 17.456 39.018 ( 12.701 59.282 -23.216) 64.920 ======================= Grid point 513 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 3.161 9.933 -2.876) 10.813 2.076 ( 12.709 4.442 -0.684) 13.480 2.159 ( 3.145 9.811 2.124) 10.520 3.218 ( -11.899 5.790 9.799) 16.466 3.358 ( 13.422 4.732 -12.227) 18.763 3.922 ( -0.529 2.466 -7.345) 7.766 4.431 ( 26.526 32.768 1.327) 42.180 4.995 ( 11.834 32.639 -0.315) 34.720 5.915 ( 19.183 27.814 1.313) 33.814 7.296 ( 0.587 4.562 3.746) 5.932 8.277 ( 11.099 13.508 7.166) 18.895 8.749 ( 5.022 3.006 3.501) 6.820 9.132 ( -4.822 -23.168 4.783) 24.143 10.194 ( -2.794 -3.222 -1.639) 4.568 10.701 ( 11.536 0.270 -4.569) 12.410 10.997 ( 0.399 5.742 -4.673) 7.414 11.759 ( -40.195 -21.801 -2.968) 45.823 12.893 ( 4.283 -2.129 1.421) 4.990 17.140 ( -2.176 -5.420 0.383) 5.853 17.720 ( -4.282 4.297 -0.845) 6.125 18.007 ( 7.587 1.270 -3.076) 8.284 18.656 ( 6.929 10.764 0.293) 12.805 20.872 ( -2.587 -6.648 2.452) 7.543 20.955 ( -3.543 -6.028 0.236) 6.996 29.327 ( -5.053 -4.383 0.376) 6.699 29.621 ( -3.299 -7.651 -1.518) 8.469 36.153 ( 5.934 -0.073 -0.794) 5.987 36.354 ( -7.497 4.173 0.530) 8.596 37.085 ( 10.193 -0.997 4.603) 11.229 39.638 ( 16.891 39.442 -14.643) 45.336 ======================= Grid point 514 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -2.285 7.223 -0.647) 7.604 2.186 ( 3.499 2.037 -6.702) 7.831 2.278 ( 1.371 4.687 -0.059) 4.884 3.111 ( -14.583 8.139 8.599) 18.785 3.560 ( -3.237 24.929 -8.613) 26.573 4.063 ( 20.723 0.171 -7.402) 22.006 5.121 ( 17.503 30.656 2.196) 35.368 5.407 ( -1.107 33.402 2.237) 33.496 6.517 ( 27.526 9.833 3.136) 29.398 7.391 ( 14.737 -2.424 0.886) 14.961 8.478 ( -5.421 -10.108 -2.926) 11.837 8.838 ( 2.275 -24.149 6.966) 25.236 8.898 ( 3.647 11.097 3.628) 12.231 10.125 ( -5.783 1.437 -3.503) 6.912 10.808 ( -25.907 11.912 -13.859) 31.704 10.959 ( -12.615 10.441 -1.632) 16.456 11.022 ( 9.115 -22.009 8.898) 25.429 12.945 ( 6.968 -15.617 5.603) 17.996 17.121 ( 3.347 -1.335 1.413) 3.871 17.668 ( -6.557 5.574 -1.333) 8.709 18.106 ( 3.878 2.207 -3.669) 5.777 18.816 ( 4.272 3.400 -0.482) 5.481 20.788 ( -2.425 -3.883 0.809) 4.649 20.855 ( -2.680 -4.337 0.346) 5.110 29.253 ( -1.153 -0.999 0.432) 1.586 29.499 ( -2.427 -7.110 0.085) 7.514 36.223 ( -2.400 7.594 -1.431) 8.092 36.315 ( 1.329 -0.077 0.186) 1.344 37.165 ( -1.653 0.255 0.997) 1.948 40.178 ( 20.377 19.304 -4.921) 28.497 ======================= Grid point 515 (253/294) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -10.542 6.659 0.730) 12.490 2.249 ( 6.354 -1.333 -5.021) 8.207 2.279 ( -5.442 4.709 -3.181) 7.868 2.996 ( -13.367 8.132 8.639) 17.873 3.673 ( -8.170 31.877 -11.596) 34.890 4.369 ( 12.985 5.291 -5.469) 15.050 5.571 ( -9.736 40.748 5.133) 42.208 5.727 ( 16.953 13.024 2.461) 21.519 6.862 ( 7.915 1.962 4.041) 9.101 7.902 ( 38.670 1.014 -2.895) 38.791 7.975 ( -14.626 -30.743 -7.654) 34.895 8.616 ( -7.994 -20.724 1.707) 22.277 9.161 ( 6.435 9.314 6.771) 13.191 9.781 ( -32.925 8.875 -3.515) 34.281 10.618 ( 0.361 9.022 -2.471) 9.361 10.814 ( -13.818 8.917 -0.071) 16.445 11.282 ( 27.537 -14.796 3.811) 31.492 12.850 ( -0.812 -19.900 3.874) 20.290 17.214 ( 5.149 1.469 1.459) 5.549 17.617 ( -4.685 6.361 -0.896) 7.950 18.144 ( 1.102 2.141 -4.345) 4.967 18.865 ( 0.736 -0.580 -0.421) 1.027 20.729 ( -1.702 -1.908 0.043) 2.557 20.786 ( -1.694 -3.057 0.830) 3.592 29.259 ( 2.310 -0.937 -0.385) 2.522 29.411 ( -0.977 -5.622 1.471) 5.893 36.207 ( -4.629 4.805 -0.508) 6.691 36.398 ( 3.571 6.656 -0.453) 7.567 37.065 ( -11.083 2.570 -1.705) 11.504 40.619 ( 20.956 3.228 0.123) 21.203 ======================= Grid point 522 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -21.617 -5.460 1.797) 22.368 1.808 ( -2.652 18.443 -1.360) 18.682 2.247 ( -9.278 5.988 -7.772) 13.503 2.824 ( 16.627 5.948 -4.503) 18.224 3.170 ( 7.722 7.137 16.051) 19.188 3.779 ( -21.407 25.226 -0.601) 33.090 4.101 ( -18.058 1.037 -7.140) 19.446 4.700 ( -11.191 24.270 -11.150) 28.959 5.263 ( -43.087 36.481 3.284) 56.552 7.148 ( -11.594 11.199 2.594) 16.327 8.109 ( 2.778 7.175 9.710) 12.389 8.567 ( -12.501 4.629 6.049) 14.638 9.621 ( 6.745 -14.688 -1.273) 16.212 10.300 ( 1.109 -9.376 -0.345) 9.448 10.695 ( -12.459 2.346 -9.621) 15.915 10.747 ( 3.474 14.464 -8.306) 17.037 12.139 ( 12.586 -30.333 18.136) 37.516 12.998 ( 21.254 8.255 -14.030) 26.771 17.330 ( 2.911 -5.392 -1.241) 6.252 17.669 ( -0.953 2.548 0.372) 2.745 17.781 ( -0.282 1.120 1.605) 1.977 18.540 ( -14.575 11.345 -3.945) 18.886 20.967 ( 5.172 -7.972 3.986) 10.305 21.064 ( 5.261 -6.606 1.886) 8.653 29.434 ( 9.795 -8.030 2.388) 12.889 29.812 ( 4.636 -6.053 -4.376) 8.791 36.159 ( 4.123 0.281 -2.371) 4.764 36.380 ( -8.038 -4.544 2.810) 9.652 37.004 ( -3.177 9.080 0.829) 9.655 38.948 ( -36.948 44.546 -23.213) 62.356 ======================= Grid point 523 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -17.259 0.746 6.035) 18.299 1.895 ( -3.238 10.158 1.603) 10.782 2.112 ( -8.523 8.097 -7.144) 13.756 3.179 ( 10.115 7.130 -7.353) 14.395 3.214 ( -9.739 -4.802 12.689) 16.701 3.707 ( -8.948 11.950 2.679) 15.167 3.994 ( -3.155 27.503 -7.047) 28.567 4.652 ( -14.543 20.790 -9.276) 27.014 5.276 ( -10.503 57.830 2.529) 58.830 7.138 ( -5.167 13.152 2.669) 14.381 8.266 ( 1.459 5.966 3.453) 7.046 8.440 ( -9.950 4.280 10.844) 15.327 9.581 ( 1.540 -10.646 3.566) 11.333 10.235 ( -0.434 -4.469 -5.329) 6.968 10.481 ( -2.981 -1.579 -2.440) 4.163 10.854 ( -1.855 4.203 -5.491) 7.160 12.019 ( 3.868 -25.274 12.212) 28.335 13.388 ( 18.717 5.842 -20.016) 28.020 17.336 ( 6.208 -5.563 -2.099) 8.596 17.543 ( -8.579 -4.168 2.960) 9.987 17.912 ( 3.748 5.267 1.012) 6.543 18.439 ( -9.061 15.087 -1.492) 17.662 20.964 ( 2.472 -9.817 3.950) 10.867 21.073 ( 2.950 -7.658 1.691) 8.379 29.488 ( 6.050 -11.496 1.002) 13.029 29.786 ( 2.201 -6.192 -4.025) 7.707 36.158 ( -9.897 -5.189 1.620) 11.291 36.275 ( 8.423 2.459 -0.355) 8.782 36.975 ( -11.572 4.765 4.143) 13.182 38.953 ( -10.560 60.104 -21.617) 64.740 ======================= Grid point 524 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 14.386 10.663 10.292) 20.654 1.954 ( 2.429 3.278 -0.584) 4.121 2.061 ( -4.626 9.536 0.785) 10.628 3.012 ( -4.478 -5.578 -7.693) 10.505 3.221 ( 5.175 -8.553 -2.411) 10.283 3.791 ( -2.615 14.588 8.062) 16.871 4.394 ( 17.243 29.111 -2.400) 33.919 4.545 ( -17.602 25.194 -8.196) 31.808 5.812 ( -0.858 56.983 1.644) 57.013 7.271 ( 1.568 18.474 2.078) 18.656 8.230 ( -8.914 5.463 5.331) 11.736 8.527 ( 5.384 3.293 8.096) 10.265 9.445 ( -10.910 -8.040 4.813) 14.382 10.180 ( 3.294 -11.517 8.241) 14.539 10.527 ( 7.343 -3.639 -3.855) 9.057 10.764 ( 0.317 -0.980 -9.799) 9.853 11.969 ( 9.715 -21.309 4.952) 23.936 13.401 ( -10.546 5.048 -19.766) 22.965 17.343 ( -6.908 -5.115 -0.103) 8.596 17.462 ( 10.889 -3.544 0.651) 11.470 17.949 ( -2.163 1.959 -1.105) 3.121 18.540 ( 0.298 17.452 2.388) 17.617 20.914 ( 0.215 -8.757 3.553) 9.453 21.031 ( -0.113 -7.440 0.934) 7.499 29.433 ( 0.518 -9.435 -1.319) 9.541 29.721 ( -1.229 -6.247 -2.250) 6.753 36.028 ( -2.338 -1.643 1.962) 3.466 36.464 ( 11.303 -0.781 -0.346) 11.336 36.826 ( -10.369 2.457 6.837) 12.661 39.377 ( 1.756 57.988 -18.731) 60.964 ======================= Grid point 525 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 19.871 8.758 8.118) 23.183 1.993 ( 1.878 4.669 -2.114) 5.458 2.198 ( 6.308 7.236 4.638) 10.661 2.909 ( 12.714 -10.526 -17.234) 23.863 3.297 ( 8.625 -6.053 4.880) 11.612 3.995 ( 6.609 11.687 5.520) 14.517 4.526 ( -4.995 30.341 -5.932) 31.316 5.007 ( 19.296 31.971 0.185) 37.343 6.205 ( -6.199 36.347 0.864) 36.882 7.462 ( -5.299 15.829 2.947) 16.951 8.298 ( 4.706 14.940 5.365) 16.557 8.683 ( 6.180 0.368 5.472) 8.263 9.121 ( -14.044 -19.505 4.351) 24.425 10.159 ( 1.914 -12.162 5.827) 13.621 10.504 ( 4.057 -7.751 0.526) 8.764 10.896 ( 13.605 3.331 -7.341) 15.814 11.883 ( -2.880 -13.858 -6.090) 15.409 13.049 ( -21.306 0.672 -8.427) 22.922 17.174 ( -6.527 -3.684 0.827) 7.540 17.667 ( 13.577 -1.093 -0.202) 13.623 17.919 ( -1.329 1.629 -2.707) 3.428 18.726 ( 1.446 12.949 2.863) 13.340 20.848 ( -0.992 -6.546 2.441) 7.056 20.946 ( -2.211 -6.120 0.025) 6.508 29.343 ( -2.039 -4.095 -1.727) 4.890 29.607 ( -3.791 -6.692 -0.611) 7.716 36.056 ( 4.805 0.588 0.848) 4.914 36.513 ( -4.565 0.840 -0.627) 4.684 36.873 ( 10.893 -3.604 7.640) 13.784 39.838 ( 2.559 45.972 -13.236) 47.908 ======================= Grid point 526 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 3.899 5.515 -1.689) 6.962 2.088 ( 4.827 -3.404 -3.088) 6.665 2.338 ( -0.044 5.707 3.012) 6.453 3.141 ( 23.135 -3.927 -11.828) 26.278 3.416 ( 10.486 2.682 8.163) 13.557 4.149 ( -5.092 19.117 -1.210) 19.821 5.005 ( 23.938 26.652 0.854) 35.834 5.663 ( 23.072 33.099 1.926) 40.393 6.382 ( -2.554 19.665 1.655) 19.899 7.413 ( -11.938 6.432 3.597) 14.030 8.458 ( -9.819 -17.857 -1.007) 20.404 8.698 ( 1.732 -2.544 5.765) 6.535 8.903 ( 5.919 1.112 2.939) 6.702 10.123 ( 2.342 -0.996 -0.927) 2.708 10.579 ( 13.985 -14.587 6.878) 21.347 11.064 ( 3.659 5.111 -4.436) 7.693 11.485 ( -30.384 1.941 -12.623) 32.959 12.761 ( -4.407 -12.116 1.558) 12.986 17.104 ( -0.372 0.137 2.653) 2.682 17.788 ( -2.043 3.489 0.145) 4.046 17.962 ( 9.224 -1.356 -4.713) 10.447 18.840 ( -0.217 6.311 1.541) 6.500 20.784 ( -1.443 -4.324 1.004) 4.668 20.855 ( -2.360 -4.295 -0.224) 4.906 29.279 ( -2.347 -0.116 -0.925) 2.525 29.480 ( -3.414 -6.794 0.682) 7.634 36.185 ( 7.867 2.975 -0.337) 8.417 36.422 ( -7.321 3.002 -0.041) 7.913 37.062 ( 11.702 -6.032 4.553) 13.930 40.191 ( 2.955 29.132 -6.207) 29.932 ======================= Grid point 527 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -2.830 2.291 -1.953) 4.132 2.095 ( 7.455 -1.715 -5.306) 9.310 2.371 ( -2.466 3.211 1.213) 4.226 3.194 ( -2.518 -2.633 -1.415) 3.909 3.838 ( 18.699 11.099 -0.603) 21.753 4.293 ( 0.484 24.113 -2.079) 24.208 5.586 ( 16.934 20.163 2.712) 26.470 6.269 ( -6.677 44.148 3.997) 44.829 6.688 ( 26.111 5.429 4.498) 27.046 7.371 ( 8.492 1.778 0.462) 8.689 7.884 ( -17.247 -37.157 -3.741) 41.135 8.616 ( -9.791 -9.516 -1.644) 13.752 9.137 ( 10.489 6.684 4.985) 13.399 10.172 ( -4.515 5.509 -1.043) 7.199 10.667 ( 6.807 -21.449 6.391) 23.393 10.982 ( -15.068 14.893 -8.324) 22.763 11.094 ( -8.127 4.594 -1.938) 9.535 12.623 ( 3.106 -19.286 1.148) 19.568 17.185 ( 4.287 4.186 4.419) 7.445 17.740 ( -5.746 3.406 -1.160) 6.780 18.065 ( 6.439 -1.310 -4.433) 7.927 18.870 ( -0.699 1.800 0.178) 1.939 20.733 ( -1.187 -2.299 0.145) 2.592 20.787 ( -1.700 -3.013 0.034) 3.460 29.250 ( -1.381 0.987 -0.588) 1.796 29.381 ( -1.595 -6.178 1.578) 6.573 36.292 ( -0.601 -2.208 -0.420) 2.327 36.402 ( 2.184 11.430 -0.600) 11.653 37.158 ( 2.425 -2.431 1.443) 3.725 40.441 ( 6.441 11.521 -0.861) 13.228 ======================= Grid point 535 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -14.548 -0.435 1.202) 14.604 1.899 ( 9.752 5.247 5.680) 12.446 2.339 ( -1.672 6.390 -3.933) 7.687 2.721 ( 4.457 12.279 -6.752) 14.705 3.193 ( 7.501 12.096 8.685) 16.674 4.166 ( -12.411 5.970 -3.726) 14.268 4.493 ( -18.033 17.896 -2.314) 25.511 5.165 ( -18.096 30.541 -10.291) 36.961 6.177 ( -33.777 14.638 2.281) 36.883 7.476 ( -16.368 4.955 2.173) 17.239 8.275 ( -7.073 12.075 6.921) 15.612 8.793 ( -5.059 7.146 -0.609) 8.776 9.266 ( 11.406 -25.371 -4.139) 28.123 10.172 ( 3.624 -11.493 2.175) 12.245 10.699 ( 7.799 11.186 0.223) 13.638 10.857 ( 6.053 6.797 -15.371) 17.863 11.538 ( 16.030 -18.686 14.868) 28.760 12.918 ( -2.343 -5.230 0.589) 5.761 17.242 ( 1.091 -3.754 -3.116) 5.000 17.672 ( 6.355 9.877 -0.547) 11.758 17.850 ( -7.147 -3.351 1.463) 8.028 18.809 ( -9.373 5.652 -2.333) 11.191 20.849 ( 3.916 -4.846 2.617) 6.757 20.933 ( 4.459 -4.878 0.650) 6.641 29.283 ( 3.367 -2.644 1.549) 4.553 29.657 ( 4.862 -5.784 -3.306) 8.247 36.106 ( 2.090 2.273 -2.179) 3.780 36.452 ( -2.262 -1.493 2.969) 4.020 37.054 ( 4.070 3.807 -2.635) 6.164 39.788 ( -34.417 26.350 -11.248) 44.782 ======================= Grid point 536 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -19.131 6.203 10.096) 22.503 2.031 ( -1.464 4.140 2.980) 5.307 2.268 ( -7.610 3.360 -4.610) 9.510 3.056 ( 13.268 15.754 0.640) 20.606 3.372 ( -3.762 2.988 6.404) 8.006 3.859 ( -13.806 -2.712 -3.884) 14.596 4.550 ( -16.321 39.273 -4.863) 42.806 5.104 ( -19.293 26.475 -7.918) 33.702 5.928 ( -14.557 32.741 0.597) 35.836 7.334 ( -6.056 3.406 1.661) 7.144 8.353 ( -0.701 10.146 3.806) 10.859 8.736 ( -11.787 8.764 2.836) 14.959 9.268 ( 16.978 -18.656 -2.424) 25.342 10.141 ( 2.183 -5.292 0.192) 5.728 10.663 ( -15.554 -0.115 -1.542) 15.631 10.913 ( -1.112 5.205 -0.252) 5.329 11.607 ( 13.347 -33.847 5.869) 36.854 13.052 ( 19.089 5.987 -7.600) 21.401 17.216 ( 2.036 -2.483 -4.562) 5.579 17.668 ( -8.527 -2.701 2.470) 9.279 17.902 ( 5.476 6.489 3.247) 9.091 18.699 ( -9.102 8.310 -2.008) 12.487 20.864 ( 2.535 -6.257 2.909) 7.352 20.954 ( 3.928 -5.818 0.349) 7.028 29.319 ( 4.330 -5.324 0.753) 6.904 29.655 ( 4.161 -5.998 -3.470) 8.082 36.167 ( 2.084 2.621 -1.662) 3.738 36.323 ( -8.051 -3.596 2.500) 9.165 37.142 ( -1.614 3.569 1.323) 4.135 39.588 ( -18.136 39.493 -11.824) 45.038 ======================= Grid point 537 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -14.077 14.992 16.531) 26.385 1.990 ( -5.190 -0.035 1.525) 5.410 2.194 ( -3.871 3.782 -0.673) 5.453 3.067 ( -11.979 -7.290 -11.009) 17.828 3.197 ( -11.874 -5.491 4.460) 13.822 3.939 ( 6.691 13.062 6.497) 16.050 4.576 ( -10.164 30.734 -3.088) 32.518 5.008 ( -13.994 24.640 -7.488) 29.309 6.285 ( 2.406 43.431 -0.911) 43.507 7.394 ( 4.498 12.719 1.610) 13.587 8.460 ( 0.607 9.060 0.456) 9.092 8.619 ( -12.779 6.535 6.958) 15.951 9.407 ( 12.977 -10.267 1.242) 16.594 10.064 ( -6.069 -16.330 3.231) 17.718 10.403 ( -3.693 -7.933 7.034) 11.227 10.803 ( -9.728 -3.924 -3.992) 11.224 11.595 ( 15.279 -13.940 -4.127) 21.091 13.345 ( 11.153 3.295 -12.462) 17.046 17.237 ( 5.876 -1.432 -2.909) 6.711 17.502 ( -9.450 -3.308 2.805) 10.398 17.998 ( -1.030 2.471 1.808) 3.230 18.702 ( -1.420 11.540 1.152) 11.684 20.847 ( 1.062 -6.136 2.567) 6.735 20.950 ( 2.149 -6.060 0.255) 6.435 29.324 ( 2.632 -4.903 -1.245) 5.703 29.643 ( 2.461 -5.661 -2.248) 6.570 36.095 ( -6.435 -2.522 1.208) 7.016 36.324 ( 5.031 1.814 0.608) 5.383 37.045 ( -10.620 -2.383 4.933) 11.950 39.806 ( -1.312 46.695 -11.645) 48.142 ======================= Grid point 538 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 7.565 8.303 13.686) 17.705 1.956 ( 1.564 0.654 -1.415) 2.208 2.195 ( 0.569 3.907 3.668) 5.389 2.719 ( -7.538 -9.628 -10.694) 16.244 3.084 ( 4.276 -5.595 1.170) 7.138 4.092 ( -1.404 8.018 8.380) 11.683 4.795 ( 0.881 20.190 -5.138) 20.852 5.145 ( 2.191 36.246 -1.202) 36.332 6.589 ( -4.102 23.674 -0.918) 24.044 7.702 ( 3.899 24.516 1.249) 24.855 8.515 ( -8.218 19.952 -0.184) 21.579 8.608 ( 5.824 -3.751 7.651) 10.321 9.240 ( -20.303 -20.898 4.553) 29.490 9.891 ( 13.608 -24.967 8.900) 29.795 10.426 ( 1.344 -5.860 3.322) 6.868 10.651 ( 5.167 -1.053 -8.504) 10.006 11.740 ( 8.935 4.182 -7.889) 12.631 13.280 ( -10.757 -4.085 -10.376) 15.494 17.274 ( -6.496 -1.141 -0.665) 6.629 17.427 ( 9.970 -1.512 1.810) 10.245 17.976 ( -3.366 1.666 0.212) 3.761 18.829 ( 1.504 9.156 2.719) 9.668 20.811 ( -0.073 -5.120 1.618) 5.370 20.911 ( -0.231 -5.424 -0.031) 5.429 29.313 ( 0.846 -1.167 -2.188) 2.619 29.591 ( -1.315 -5.973 -0.638) 6.149 36.029 ( -0.419 -0.002 1.491) 1.549 36.431 ( 7.399 -2.363 -0.431) 7.779 36.881 ( -7.325 -4.071 7.021) 10.933 40.197 ( 0.663 42.595 -9.071) 43.555 ======================= Grid point 539 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 12.099 -11.328 -4.054) 17.063 1.997 ( 1.039 2.800 -1.119) 3.189 2.377 ( 4.863 6.110 4.569) 9.048 2.678 ( 17.896 -0.718 -1.400) 17.965 3.230 ( 15.437 -2.452 2.391) 15.812 4.240 ( 6.674 6.470 7.127) 11.713 4.997 ( 6.892 24.307 -5.300) 25.815 5.630 ( 13.302 30.501 3.236) 33.432 6.659 ( -6.384 12.216 0.511) 13.793 7.819 ( -14.677 19.663 1.533) 24.585 8.485 ( -17.372 -22.832 1.502) 28.729 8.746 ( 10.725 -7.494 4.342) 13.785 8.797 ( -5.083 11.467 2.408) 12.772 9.978 ( 11.658 -10.568 2.863) 15.993 10.362 ( 1.612 -9.363 6.775) 11.669 10.826 ( 17.365 -3.280 -7.783) 19.310 11.805 ( -8.734 14.416 -11.141) 20.205 12.893 ( -19.489 -10.478 -3.410) 22.389 17.157 ( -4.410 0.301 1.753) 4.755 17.664 ( 15.027 0.712 0.730) 15.062 17.932 ( -4.104 1.887 -0.645) 4.563 18.911 ( -0.659 3.521 1.555) 3.905 20.767 ( -0.714 -3.730 0.595) 3.844 20.847 ( -1.548 -4.029 -0.414) 4.336 29.310 ( -0.832 2.483 -1.851) 3.207 29.487 ( -3.903 -6.131 0.792) 7.311 36.092 ( 5.609 1.893 0.729) 5.965 36.494 ( 2.239 -1.209 -1.546) 2.978 36.839 ( 5.277 -7.518 7.091) 11.604 40.493 ( -4.356 32.195 -5.079) 32.883 ======================= Grid point 541 (265/294) ======================= q-point: (-0.25 -0.42 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 11.682 -10.739 -8.249) 17.884 2.044 ( 1.933 3.480 -1.210) 4.161 2.437 ( -1.054 0.854 4.432) 4.635 3.010 ( 15.182 -3.236 -5.436) 16.447 3.576 ( 21.797 6.531 7.543) 23.972 4.468 ( 6.040 11.793 3.575) 13.724 5.492 ( 23.123 24.658 -2.288) 33.881 6.198 ( 26.789 19.016 4.433) 33.150 6.647 ( -5.047 5.111 1.920) 7.435 7.729 ( -20.191 23.831 2.581) 31.341 7.835 ( -20.526 -35.212 -0.251) 40.759 8.717 ( -8.681 -4.137 -3.333) 10.178 9.004 ( 10.951 3.659 4.536) 12.405 10.107 ( 10.994 -5.624 1.552) 12.446 10.409 ( 7.324 -5.587 7.444) 11.844 10.998 ( 12.388 -6.228 -6.157) 15.171 11.551 ( -30.548 14.551 -10.858) 35.536 12.526 ( -9.624 -11.535 -0.163) 15.024 17.183 ( 3.160 3.741 3.910) 6.267 17.861 ( -4.410 0.362 -2.669) 5.167 17.893 ( 9.178 2.003 1.473) 9.508 18.901 ( -1.652 -0.698 -0.162) 1.800 20.727 ( -0.747 -2.367 0.078) 2.484 20.786 ( -1.580 -2.538 -0.629) 3.055 29.307 ( -2.597 4.146 -1.181) 5.032 29.371 ( -3.350 -5.877 1.535) 6.937 36.214 ( 5.814 -0.469 -0.151) 5.835 36.499 ( -1.021 6.176 -0.800) 6.311 36.959 ( 13.439 -9.086 4.153) 16.745 40.616 ( -7.967 19.473 -1.284) 21.079 ======================= Grid point 549 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 19.883 1.319 9.653) 22.141 1.998 ( -6.195 0.308 -0.862) 6.262 2.442 ( -3.601 5.953 -3.667) 7.864 2.706 ( 10.779 13.748 -1.939) 17.577 3.262 ( 2.253 16.250 -3.496) 16.773 4.342 ( -3.454 7.915 -5.640) 10.315 4.940 ( -14.449 19.046 2.264) 24.014 5.713 ( -19.311 26.718 -7.662) 33.845 6.654 ( -14.306 2.134 1.151) 14.510 7.823 ( -23.553 -1.687 1.101) 23.639 8.471 ( 3.561 -19.589 3.575) 20.228 8.769 ( 11.419 -7.671 -0.201) 13.758 8.882 ( -4.046 4.242 -6.955) 9.096 9.990 ( 14.960 3.964 0.748) 15.495 10.502 ( 12.413 -3.610 -10.140) 16.430 10.707 ( 12.422 14.105 7.336) 20.176 11.643 ( -20.626 -1.806 9.154) 22.638 12.841 ( 0.285 -17.837 3.462) 18.172 17.196 ( -0.885 -1.902 -3.236) 3.856 17.671 ( 5.763 11.654 -0.071) 13.001 17.938 ( -6.800 -2.647 -1.621) 7.475 18.925 ( -2.242 -0.031 -0.218) 2.253 20.767 ( 2.754 -2.551 0.633) 3.807 20.836 ( 2.990 -3.412 1.016) 4.649 29.282 ( -2.824 0.808 1.671) 3.379 29.511 ( 4.164 -5.971 -2.237) 7.616 36.107 ( 1.221 4.938 -1.322) 5.255 36.463 ( 2.272 1.504 2.503) 3.700 36.938 ( 8.477 -0.188 -5.517) 10.116 40.468 ( -29.019 12.747 -1.998) 31.758 ======================= Grid point 550 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -6.805 5.426 4.861) 9.969 2.011 ( 7.835 0.308 6.174) 9.981 2.387 ( -5.831 1.730 -3.071) 6.813 3.028 ( 11.468 16.987 3.406) 20.777 3.483 ( 2.128 14.798 -1.007) 14.984 4.156 ( -21.965 1.946 -2.129) 22.154 5.052 ( -6.134 35.526 -4.733) 36.361 5.711 ( -17.713 36.071 -4.566) 40.444 6.398 ( -17.877 9.627 -0.521) 20.311 7.448 ( -12.526 -6.849 -0.816) 14.300 8.404 ( 5.799 -16.421 5.895) 18.385 8.779 ( 10.980 -11.133 -4.162) 16.181 8.953 ( -1.456 11.396 -3.964) 12.154 10.106 ( 0.285 2.199 1.024) 2.442 10.707 ( 16.053 3.827 -9.216) 18.902 11.010 ( -1.738 5.664 2.121) 6.293 11.285 ( -12.037 -23.092 13.313) 29.247 12.776 ( 11.102 -8.345 -0.365) 13.894 17.166 ( 0.115 1.165 -5.474) 5.598 17.788 ( -7.426 -1.883 0.312) 7.667 17.891 ( 6.343 7.645 4.345) 10.843 18.860 ( -5.374 1.740 -1.061) 5.747 20.786 ( 2.441 -3.581 0.852) 4.417 20.850 ( 2.849 -4.053 0.379) 4.969 29.261 ( -0.386 -1.422 1.380) 2.019 29.507 ( 4.458 -6.183 -2.774) 8.111 36.187 ( 1.326 7.327 -0.617) 7.472 36.411 ( -6.331 -4.352 1.357) 7.801 37.117 ( 8.453 4.813 -2.473) 10.037 40.162 ( -21.472 18.965 -2.598) 28.766 ======================= Grid point 551 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -9.682 7.847 7.538) 14.565 2.082 ( -1.576 0.122 5.962) 6.168 2.284 ( -5.593 1.110 -0.989) 5.787 3.178 ( -8.066 -4.085 -1.118) 9.110 3.482 ( -21.434 4.331 2.930) 22.062 3.990 ( 3.716 18.084 1.488) 18.522 5.166 ( -18.781 29.562 -3.517) 35.199 5.467 ( -28.355 17.261 -5.636) 33.671 6.565 ( 5.420 31.522 -2.999) 32.124 7.391 ( 7.443 8.422 0.952) 11.280 8.395 ( 7.347 -16.091 7.790) 19.328 8.882 ( 8.744 -9.453 -0.409) 12.884 9.001 ( 3.659 10.976 -7.839) 13.976 10.084 ( -6.334 -5.906 1.600) 8.807 10.606 ( -23.902 -12.183 12.237) 29.487 10.929 ( -8.916 -3.940 1.514) 9.864 11.169 ( 20.629 -3.265 -9.417) 22.911 13.024 ( 20.797 -2.792 -4.627) 21.488 17.166 ( 1.356 2.490 -4.627) 5.426 17.639 ( -8.501 -2.768 2.344) 9.243 18.045 ( 1.288 4.033 4.275) 6.016 18.812 ( -2.342 4.552 0.057) 5.119 20.786 ( 1.514 -4.038 0.937) 4.414 20.859 ( 2.703 -4.218 -0.066) 5.010 29.256 ( 1.320 -1.572 0.049) 2.054 29.517 ( 4.660 -5.263 -2.290) 7.394 36.210 ( -8.210 1.482 0.361) 8.350 36.309 ( 0.734 1.145 0.907) 1.635 37.161 ( -4.496 -3.081 1.512) 5.656 40.171 ( -3.474 29.399 -3.936) 29.864 ======================= Grid point 552 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -11.793 -5.119 1.573) 12.952 2.082 ( -7.636 6.750 7.995) 12.953 2.253 ( 0.404 2.645 4.413) 5.161 2.806 ( -19.335 -8.079 -8.241) 22.518 3.166 ( -15.681 0.477 4.686) 16.373 4.240 ( -1.126 8.153 8.690) 11.969 5.009 ( -12.432 18.423 -5.093) 22.801 5.466 ( -2.059 28.810 -2.311) 28.976 6.794 ( -0.983 13.468 -2.799) 13.791 7.819 ( 12.829 30.182 2.178) 32.868 8.414 ( 9.645 -18.374 8.451) 22.406 8.843 ( -7.477 7.429 -1.898) 10.710 9.223 ( 16.867 -5.239 -5.861) 18.609 9.596 ( -22.316 -31.861 5.412) 39.274 10.427 ( -2.904 3.411 6.512) 7.904 10.667 ( -11.146 -6.352 -2.290) 13.031 11.561 ( 19.982 14.531 -7.151) 25.721 13.192 ( 7.410 -9.101 -7.297) 13.820 17.238 ( 6.119 3.726 -1.160) 7.257 17.471 ( -10.113 -2.251 1.487) 10.467 18.059 ( -3.587 1.824 3.016) 5.029 18.870 ( 2.275 4.060 1.674) 4.946 20.770 ( 0.605 -3.751 0.531) 3.837 20.852 ( 1.426 -4.217 -0.389) 4.469 29.281 ( 2.093 1.332 -0.930) 2.650 29.522 ( 2.512 -5.172 -1.206) 5.875 36.087 ( -5.739 0.135 1.247) 5.875 36.348 ( 1.132 0.517 0.001) 1.244 36.992 ( -8.643 -7.820 4.477) 12.486 40.485 ( 4.633 32.604 -4.069) 33.182 ======================= Grid point 554 (270/294) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.267 -16.268 -5.728) 17.249 2.034 ( -2.819 -0.539 3.038) 4.179 2.387 ( 3.979 5.779 5.887) 9.159 2.501 ( -1.612 -4.492 -3.942) 6.190 3.108 ( 1.158 5.862 9.238) 11.002 4.262 ( -1.494 1.444 7.201) 7.494 5.078 ( 2.274 14.179 -4.632) 15.089 5.806 ( 5.783 31.002 2.517) 31.637 6.835 ( -4.420 7.376 -0.596) 8.620 8.168 ( -3.510 21.136 0.681) 21.436 8.401 ( 4.899 -31.654 7.785) 32.963 8.680 ( -15.426 -8.016 -0.170) 17.385 9.036 ( -7.480 10.246 -0.002) 12.686 9.544 ( 23.406 -14.767 -5.013) 28.126 10.378 ( -6.515 -6.209 8.924) 12.674 10.574 ( 5.082 2.379 -6.204) 8.365 11.954 ( 7.728 23.348 -7.088) 25.594 13.009 ( -9.962 -15.373 -5.528) 19.134 17.275 ( -8.909 0.696 -0.105) 8.937 17.453 ( 12.378 2.546 2.414) 12.865 18.030 ( -4.177 2.721 2.889) 5.762 18.928 ( 1.015 -0.574 0.646) 1.334 20.743 ( -0.054 -2.996 0.026) 2.996 20.822 ( -0.103 -3.579 -0.850) 3.680 29.336 ( 1.218 4.948 -1.137) 5.221 29.480 ( -1.227 -5.361 0.041) 5.499 36.058 ( 0.637 1.482 1.184) 2.001 36.370 ( 4.321 -3.076 -0.832) 5.369 36.828 ( -4.866 -7.530 5.594) 10.568 40.810 ( 0.029 27.949 -2.726) 28.082 ======================= Grid point 555 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 15.160 -14.142 -8.591) 22.442 2.034 ( 1.723 -0.710 0.893) 2.067 2.449 ( 2.885 -3.358 5.499) 7.060 2.664 ( 17.795 -2.024 -5.370) 18.697 3.377 ( 13.718 9.867 12.533) 21.039 4.380 ( 10.926 1.014 6.841) 12.931 5.317 ( 15.026 13.755 -4.873) 20.946 6.195 ( 6.819 22.126 4.990) 23.685 6.780 ( -7.640 1.537 0.970) 7.853 7.874 ( -20.177 -30.376 1.656) 36.504 8.222 ( -11.436 20.264 0.140) 23.268 8.617 ( 6.949 -10.668 2.429) 12.961 9.072 ( -5.640 9.593 -1.916) 11.292 9.746 ( 20.626 -15.485 -3.457) 26.022 10.357 ( 2.764 1.069 9.120) 9.590 10.675 ( 10.464 -3.099 -6.380) 12.641 12.083 ( -17.286 21.418 -9.119) 28.995 12.621 ( -13.174 -13.055 -1.496) 18.608 17.199 ( -0.820 1.616 1.715) 2.496 17.699 ( 11.084 1.644 -0.230) 11.208 18.007 ( -4.420 4.647 5.364) 8.361 18.895 ( -1.045 -4.620 -1.359) 4.928 20.713 ( -0.341 -2.545 -0.249) 2.580 20.781 ( -0.797 -1.860 -1.150) 2.327 29.383 ( -2.888 0.392 -0.959) 3.068 29.394 ( -2.132 1.515 0.820) 2.740 36.126 ( 4.398 0.357 0.819) 4.488 36.455 ( 9.345 -0.252 -2.396) 9.651 36.753 ( 1.532 -7.745 6.126) 9.993 40.959 ( -8.686 20.027 -0.904) 21.848 ======================= Grid point 648 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 -0.000 -4.701) 4.701 0.937 ( 0.000 0.000 -4.701) 4.701 2.089 ( -0.000 0.000 9.747) 9.747 2.364 ( 0.000 -0.000 -9.423) 9.423 2.364 ( 0.000 -0.000 -9.423) 9.423 3.372 ( -0.000 0.000 8.126) 8.126 3.406 ( 0.000 -0.000 -7.398) 7.398 3.406 ( 0.000 -0.000 -7.398) 7.398 4.681 ( 0.000 -0.000 -2.425) 2.425 6.813 ( 0.000 -0.000 -2.692) 2.692 8.101 ( -0.000 0.000 12.183) 12.183 8.101 ( -0.000 0.000 12.183) 12.183 9.713 ( -0.000 0.000 9.156) 9.156 9.713 ( -0.000 0.000 9.156) 9.156 10.684 ( 0.000 -0.000 -12.796) 12.796 10.684 ( 0.000 -0.000 -12.796) 12.796 11.518 ( 0.000 -0.000 -0.781) 0.781 14.291 ( 0.000 -0.000 -2.180) 2.180 17.623 ( -0.000 0.000 2.700) 2.700 17.623 ( 0.000 0.000 2.700) 2.700 17.777 ( 0.000 0.000 -1.818) 1.818 17.777 ( 0.000 -0.000 -1.818) 1.818 21.241 ( -0.000 0.000 2.568) 2.568 21.620 ( 0.000 -0.000 -1.824) 1.824 29.983 ( 0.000 -0.000 -0.735) 0.735 30.379 ( -0.000 0.000 0.607) 0.607 36.150 ( -0.000 0.000 3.599) 3.599 36.150 ( -0.000 0.000 3.599) 3.599 36.454 ( 0.000 -0.000 -3.212) 3.212 36.454 ( 0.000 -0.000 -3.212) 3.212 ======================= Grid point 649 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 17.794 5.669 -4.708) 19.259 1.354 ( 20.754 11.614 -11.649) 26.482 1.920 ( -2.669 -4.778 -3.680) 6.595 2.590 ( 20.584 12.123 -5.366) 24.484 3.027 ( 26.871 31.133 3.565) 41.279 3.284 ( -1.281 -1.881 10.378) 10.624 3.411 ( 13.661 1.205 -2.627) 13.963 3.592 ( 16.880 8.253 -6.824) 19.990 4.553 ( -7.025 -5.403 -3.284) 9.451 6.825 ( 3.030 2.695 0.402) 4.075 8.090 ( -1.824 -5.006 12.559) 13.642 8.290 ( 6.623 8.021 8.754) 13.596 9.803 ( 10.237 -13.808 7.803) 18.877 10.037 ( 13.922 19.911 -3.738) 24.582 10.477 ( -5.043 0.503 -9.797) 11.030 10.736 ( 0.037 3.773 -11.130) 11.752 11.793 ( 24.378 13.958 1.335) 28.123 13.961 ( -28.404 -18.104 -2.707) 33.791 17.530 ( -3.613 -5.867 2.554) 7.348 17.683 ( -4.539 1.103 -1.548) 4.921 17.745 ( 1.272 6.920 1.577) 7.210 17.941 ( 15.039 3.235 -2.463) 15.579 21.211 ( -3.840 -2.213 1.945) 4.840 21.459 ( -11.842 -6.537 1.358) 13.594 29.899 ( -8.273 -5.178 2.096) 9.982 30.153 ( -15.224 -8.549 -0.784) 17.478 36.212 ( 2.410 -1.803 1.814) 3.513 36.383 ( 0.600 -4.537 -1.961) 4.979 36.561 ( 11.540 12.031 -3.399) 17.014 36.869 ( 49.994 31.547 -8.170) 59.677 ======================= Grid point 650 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 22.422 3.614 -6.661) 23.668 1.647 ( 4.526 14.921 -1.425) 15.657 2.005 ( 17.299 1.520 -9.578) 19.832 2.879 ( -8.216 6.500 -3.395) 11.013 3.089 ( 1.320 -3.089 11.058) 11.557 3.505 ( 15.532 11.616 7.340) 20.737 3.949 ( 24.392 14.224 -8.382) 29.454 4.381 ( 5.519 1.726 -8.624) 10.383 4.566 ( 55.251 28.141 3.971) 62.132 6.986 ( 10.229 6.389 1.476) 12.150 8.085 ( -0.225 -3.973 11.449) 12.120 8.525 ( 7.627 7.563 4.365) 11.594 9.774 ( -3.815 -8.228 0.515) 9.084 10.269 ( 12.202 -6.084 -4.040) 14.221 10.552 ( 5.647 16.048 -8.215) 18.892 10.659 ( -5.865 2.196 -7.502) 9.772 12.431 ( 24.250 18.611 8.029) 31.605 13.053 ( -45.588 -32.269 -3.828) 55.984 17.425 ( -4.323 -4.611 1.930) 6.609 17.604 ( -3.006 -2.155 -2.426) 4.423 17.833 ( 0.368 7.268 1.810) 7.499 18.279 ( 19.592 7.731 -4.051) 21.448 21.097 ( -6.935 -3.877 1.406) 8.069 21.214 ( -10.686 -5.711 2.780) 12.431 29.621 ( -15.469 -9.332 4.277) 18.565 29.895 ( -7.421 -4.316 -3.885) 9.423 36.183 ( -4.639 1.421 -2.383) 5.406 36.389 ( 5.804 -6.854 1.958) 9.192 36.839 ( 10.269 9.616 -1.546) 14.153 38.076 ( 57.431 35.636 -16.030) 69.464 ======================= Grid point 651 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 16.756 -0.459 -9.369) 19.203 1.850 ( 4.210 10.270 1.120) 11.156 2.216 ( 7.333 1.175 -6.795) 10.066 2.707 ( -11.569 4.992 3.182) 12.995 3.094 ( -1.665 -5.934 9.474) 11.302 3.976 ( 15.841 14.194 -0.668) 21.280 4.421 ( 7.017 11.298 -1.879) 13.431 4.525 ( 35.634 6.252 -10.004) 37.536 5.794 ( 47.333 27.848 2.418) 54.970 7.289 ( 17.388 7.782 0.753) 19.065 8.165 ( 5.846 3.052 8.788) 10.987 8.697 ( 5.235 2.892 -1.082) 6.078 9.584 ( -11.334 -1.677 -3.140) 11.880 10.379 ( 11.651 -16.675 0.539) 20.349 10.508 ( -16.090 10.317 1.114) 19.146 10.701 ( 3.886 3.812 -16.185) 17.076 11.955 ( -39.589 -30.514 8.870) 50.765 12.953 ( 11.878 13.001 5.837) 18.552 17.326 ( -3.866 -2.534 0.552) 4.655 17.523 ( -1.148 -4.639 -2.503) 5.395 17.916 ( 0.520 7.000 0.813) 7.066 18.635 ( 15.940 6.825 -3.648) 17.720 20.948 ( -6.824 -3.721 1.224) 7.868 21.031 ( -7.375 -3.885 1.166) 8.417 29.363 ( -8.292 -5.056 2.422) 10.010 29.734 ( -6.062 -3.632 -2.459) 7.483 36.104 ( -3.751 0.597 -2.726) 4.675 36.423 ( 4.101 -6.427 2.144) 7.920 37.008 ( 1.667 6.173 -3.431) 7.256 39.202 ( 48.633 28.951 -8.977) 57.306 ======================= Grid point 652 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -3.184 -7.295 0.945) 8.015 1.978 ( 4.533 7.188 -4.902) 9.811 2.266 ( 5.356 2.238 -5.461) 7.970 2.619 ( -7.106 0.089 2.703) 7.603 3.072 ( 1.261 -2.299 1.481) 3.012 4.212 ( 5.655 6.143 -6.482) 10.570 4.734 ( 15.805 9.968 2.600) 18.866 5.176 ( 34.535 12.214 -5.163) 36.994 6.564 ( 19.308 14.531 2.312) 24.275 7.712 ( 22.908 9.620 -0.111) 24.846 8.458 ( 14.459 11.982 6.486) 19.867 8.722 ( -0.074 -3.442 -6.029) 6.943 9.308 ( -25.297 5.121 -4.006) 26.119 9.992 ( -22.226 -27.159 -4.170) 35.341 10.501 ( 4.387 -6.743 4.123) 9.040 10.562 ( -8.160 0.682 -7.276) 10.954 11.603 ( 8.096 -3.536 9.407) 12.905 13.139 ( -5.205 6.940 7.973) 11.782 17.271 ( -2.632 2.551 -0.210) 3.671 17.460 ( 2.418 -7.413 -2.380) 8.153 17.985 ( 0.252 5.944 -1.033) 6.038 18.866 ( 7.888 2.758 -2.147) 8.628 20.823 ( -4.837 -2.655 0.137) 5.520 20.905 ( -4.949 -2.528 0.783) 5.612 29.280 ( -0.286 -0.725 1.947) 2.097 29.596 ( -5.736 -2.870 -1.184) 6.522 36.056 ( -0.848 0.170 -1.980) 2.161 36.416 ( 1.293 -6.246 1.422) 6.535 36.980 ( -6.405 2.487 -5.551) 8.833 40.129 ( 36.887 21.358 -0.490) 42.627 ======================= Grid point 661 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 9.817 16.782 -14.439) 24.217 1.211 ( -11.327 26.269 -8.148) 29.745 1.872 ( -1.811 -9.125 -0.739) 9.333 2.570 ( -1.226 24.224 -2.075) 24.343 3.081 ( 14.401 50.354 3.521) 52.491 3.388 ( -5.734 3.585 -1.236) 6.874 3.421 ( -5.350 12.636 -3.236) 14.098 3.482 ( 2.188 7.218 4.691) 8.882 4.525 ( -1.142 -9.773 -3.926) 10.594 6.823 ( 0.656 4.266 0.373) 4.332 8.195 ( -6.903 -0.071 9.643) 11.860 8.284 ( 7.214 5.108 8.303) 12.127 9.681 ( -9.003 -7.033 8.658) 14.334 10.108 ( 2.772 14.476 -2.321) 14.920 10.478 ( 3.159 2.780 -7.002) 8.169 10.701 ( 2.580 6.702 -12.425) 14.351 11.767 ( -0.112 24.660 2.220) 24.760 14.006 ( -1.276 -24.712 -4.833) 25.213 17.557 ( -5.117 -4.909 2.388) 7.482 17.656 ( 6.986 -5.422 -1.715) 9.008 17.788 ( 5.264 8.401 1.133) 9.978 17.886 ( -6.631 9.208 -1.011) 11.392 21.221 ( 0.002 -4.503 1.653) 4.797 21.458 ( 0.203 -13.359 1.116) 13.408 29.922 ( -0.306 -5.810 1.027) 5.908 30.144 ( 0.192 -20.182 -0.354) 20.186 36.121 ( -4.288 -3.480 3.375) 6.472 36.432 ( 13.889 3.220 -1.865) 14.379 36.515 ( -13.206 7.875 -1.492) 15.448 36.897 ( 3.592 61.709 -8.296) 62.368 ======================= Grid point 662 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -4.708 29.369 -3.850) 29.992 1.470 ( 30.403 10.538 -9.360) 33.511 1.804 ( 0.748 1.623 0.083) 1.790 3.040 ( 20.640 31.157 -0.475) 37.377 3.232 ( -11.132 3.811 -5.344) 12.923 3.383 ( -1.691 -3.409 10.191) 10.878 3.738 ( 13.199 13.295 -4.676) 19.309 4.125 ( 33.740 56.236 -0.396) 65.582 4.385 ( -0.729 -2.404 -0.402) 2.544 6.940 ( 5.434 8.686 0.984) 10.293 8.143 ( -3.606 -2.327 10.013) 10.894 8.496 ( 6.961 6.749 3.538) 10.321 9.612 ( 3.767 -13.119 7.608) 15.627 10.181 ( -0.252 5.987 -4.235) 7.338 10.544 ( 1.050 5.819 -5.931) 8.375 10.748 ( 2.102 8.041 -9.800) 12.849 12.242 ( 20.960 25.625 4.652) 33.430 13.403 ( -31.990 -34.572 -5.198) 47.387 17.422 ( -4.583 -7.891 1.770) 9.295 17.680 ( -1.613 1.411 -1.939) 2.890 17.870 ( 2.353 2.370 -1.802) 3.795 18.076 ( 11.655 14.584 0.926) 18.692 21.143 ( -3.684 -6.355 1.003) 7.414 21.284 ( -5.930 -11.802 2.090) 13.372 29.763 ( -10.936 -13.587 4.353) 17.976 29.905 ( -4.094 -10.563 -4.064) 12.036 36.150 ( 8.443 -5.969 2.328) 10.598 36.357 ( -11.886 5.833 -2.017) 13.393 36.757 ( 15.693 7.757 2.200) 17.643 37.728 ( 28.510 61.196 -14.085) 68.965 ======================= Grid point 663 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 2.182 19.360 -10.423) 22.095 1.916 ( 1.778 11.966 1.292) 12.166 1.983 ( 21.185 6.531 -3.548) 22.451 3.061 ( -14.132 8.180 0.853) 16.351 3.262 ( -10.086 7.376 7.419) 14.532 3.845 ( 30.145 24.046 2.836) 38.665 3.951 ( 12.692 -4.650 -12.070) 18.122 4.487 ( 9.663 20.051 1.130) 22.286 5.293 ( 44.118 37.440 1.282) 57.877 7.161 ( 8.818 9.866 1.206) 13.287 8.171 ( 3.053 2.368 8.759) 9.573 8.657 ( 4.107 5.823 -1.425) 7.267 9.554 ( 1.986 -16.876 4.284) 17.524 10.198 ( -1.089 0.961 -1.890) 2.384 10.583 ( 4.712 4.247 -8.883) 10.915 10.812 ( -3.537 11.157 -3.705) 12.276 12.360 ( -45.142 -34.383 -4.502) 56.923 12.826 ( 20.716 9.207 10.769) 25.098 17.286 ( -2.194 -9.204 0.939) 9.508 17.623 ( -6.821 4.765 -1.968) 8.550 17.950 ( 3.512 3.662 -0.894) 5.152 18.432 ( 14.692 11.644 -1.402) 18.799 21.007 ( -5.306 -6.207 0.644) 8.191 21.094 ( -6.111 -7.919 0.911) 10.044 29.467 ( -10.219 -9.521 2.184) 14.137 29.754 ( -3.742 -6.723 -1.804) 7.902 36.200 ( -2.996 -2.303 -1.511) 4.070 36.271 ( 2.462 0.969 0.465) 2.686 37.036 ( 6.127 8.236 0.853) 10.301 38.751 ( 38.876 44.732 -8.994) 59.944 ======================= Grid point 664 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 5.045 14.824 -10.781) 19.012 2.017 ( -1.556 9.050 -2.728) 9.579 2.211 ( 4.602 3.071 -2.955) 6.272 2.932 ( -16.220 11.456 6.776) 20.982 3.201 ( -9.398 9.450 2.744) 13.607 4.078 ( 15.530 -2.619 -10.907) 19.157 4.530 ( 21.148 23.875 2.577) 31.998 4.931 ( 15.533 23.620 2.527) 28.383 6.262 ( 37.205 18.521 1.958) 41.606 7.405 ( 14.725 2.473 0.112) 14.932 8.411 ( 10.764 11.353 5.994) 16.753 8.717 ( -1.045 5.543 -4.869) 7.451 9.395 ( -0.733 -21.206 2.614) 21.379 10.117 ( -8.429 -4.628 -3.922) 10.385 10.579 ( -12.708 3.179 -15.310) 20.149 10.753 ( -11.821 10.660 2.435) 16.102 11.505 ( -11.320 -24.293 7.751) 27.899 13.170 ( 9.668 -2.572 9.989) 14.137 17.207 ( 2.066 -6.985 0.994) 7.351 17.541 ( -7.776 6.113 -2.208) 10.135 18.024 ( 1.248 4.454 -1.632) 4.905 18.725 ( 10.927 5.660 -1.890) 12.450 20.870 ( -4.842 -4.428 -0.410) 6.575 20.949 ( -4.319 -5.077 0.407) 6.679 29.301 ( -3.525 -3.593 1.636) 5.293 29.627 ( -3.620 -5.905 -0.097) 6.927 36.117 ( -4.988 3.261 -1.743) 6.209 36.328 ( 3.831 -2.711 0.124) 4.695 37.106 ( -4.764 5.800 -2.739) 7.990 39.716 ( 37.866 27.118 -0.160) 46.575 ======================= Grid point 674 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -21.858 4.095 -2.472) 22.375 1.526 ( -0.753 22.556 -5.373) 23.199 1.904 ( -8.166 6.890 -7.479) 13.042 3.040 ( 11.651 21.155 -0.521) 24.157 3.110 ( -20.856 13.614 1.625) 24.959 3.423 ( 4.289 -0.754 13.719) 14.394 3.700 ( -13.575 10.862 -7.022) 18.751 4.127 ( -29.809 49.647 -1.903) 57.940 4.462 ( -3.731 5.310 -3.647) 7.444 6.928 ( -5.511 8.820 1.661) 10.532 8.235 ( 5.576 1.421 5.713) 8.108 8.405 ( -9.667 3.883 7.380) 12.767 9.785 ( -0.849 -9.821 -0.280) 9.861 10.223 ( -11.034 5.383 -7.853) 14.574 10.413 ( 3.020 4.303 0.730) 5.308 10.684 ( 2.311 7.700 -6.054) 10.064 12.193 ( -18.078 18.055 7.219) 26.551 13.475 ( 29.059 -26.708 -9.149) 40.515 17.463 ( 6.035 -7.567 -0.441) 9.689 17.628 ( -5.056 -2.615 1.504) 5.888 17.796 ( 3.517 6.009 1.819) 7.196 18.145 ( -12.130 13.571 -2.810) 18.417 21.141 ( 3.760 -6.568 1.093) 7.647 21.278 ( 6.094 -11.905 2.444) 13.595 29.771 ( 11.065 -14.064 4.256) 18.394 29.902 ( 3.779 -9.641 -4.336) 11.226 36.219 ( 4.570 1.953 -0.898) 5.050 36.293 ( -9.088 -7.457 0.903) 11.791 36.805 ( -6.992 14.400 -0.216) 16.009 37.674 ( -29.215 59.751 -11.302) 67.464 ======================= Grid point 675 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 12.596 7.204 1.226) 14.562 1.734 ( -6.343 25.274 -2.256) 26.156 1.839 ( 0.056 5.734 -1.464) 5.918 2.971 ( -2.706 10.419 -3.778) 11.409 3.291 ( 4.218 1.156 -5.958) 7.391 3.558 ( -4.444 8.307 8.964) 13.004 3.786 ( 6.063 27.993 -0.816) 28.653 4.283 ( -3.501 9.703 -4.357) 11.197 4.596 ( -0.323 59.885 2.391) 59.933 6.990 ( 0.320 11.889 1.334) 11.968 8.237 ( -4.528 -1.978 3.009) 5.785 8.473 ( 4.394 6.234 6.893) 10.280 9.619 ( -8.766 -7.813 7.081) 13.712 10.211 ( 3.358 5.938 -0.777) 6.866 10.526 ( 6.879 1.712 -2.127) 7.401 10.691 ( -2.476 3.942 -10.494) 11.480 12.291 ( 4.454 11.784 11.845) 17.292 13.353 ( -5.146 -24.784 -18.137) 31.139 17.465 ( -6.249 -6.896 0.641) 9.329 17.542 ( 9.136 -4.443 0.057) 10.160 17.889 ( -1.533 3.608 -1.494) 4.195 18.185 ( -0.474 19.370 2.054) 19.484 21.104 ( 0.108 -8.579 0.932) 8.630 21.221 ( 0.082 -12.133 2.137) 12.321 29.710 ( 0.107 -19.693 0.638) 19.704 29.832 ( -0.375 -6.320 -1.809) 6.585 36.089 ( -4.176 -3.236 3.058) 6.104 36.454 ( 13.526 1.332 -1.604) 13.686 36.728 ( -11.403 10.648 4.190) 16.154 38.061 ( 2.149 68.337 -12.962) 69.589 ======================= Grid point 676 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 22.443 7.712 4.694) 24.191 1.749 ( -1.932 19.180 -7.014) 20.513 2.032 ( 3.334 13.533 5.163) 14.863 3.011 ( 9.921 -8.785 -14.341) 19.526 3.423 ( 5.177 -4.328 4.185) 7.940 3.712 ( 12.748 25.492 3.317) 28.695 3.979 ( -13.698 20.106 -2.134) 24.422 4.474 ( 16.898 20.757 1.873) 26.831 5.306 ( 9.498 55.828 0.990) 56.638 7.175 ( 4.668 14.641 1.093) 15.406 8.194 ( -0.163 0.555 4.976) 5.009 8.639 ( 5.196 6.026 1.543) 8.105 9.442 ( -5.628 -13.336 6.980) 16.070 10.297 ( -4.952 1.981 4.126) 6.744 10.528 ( 1.185 2.384 -4.303) 5.060 10.784 ( 11.531 4.387 -7.417) 14.396 12.459 ( 1.879 -37.595 10.019) 38.952 12.831 ( -17.883 12.401 -15.728) 26.851 17.287 ( -6.442 -7.170 1.308) 9.727 17.680 ( 7.162 -0.091 -0.814) 7.209 17.871 ( 0.830 1.555 -3.284) 3.727 18.432 ( 4.561 18.426 2.944) 19.209 21.006 ( -2.383 -8.215 0.874) 8.598 21.092 ( -3.457 -9.405 0.597) 10.038 29.496 ( -5.002 -13.019 -0.788) 13.970 29.735 ( -3.004 -6.703 -0.079) 7.346 36.084 ( 4.099 -2.904 1.959) 5.392 36.455 ( -9.615 4.767 -1.478) 10.833 36.912 ( 14.339 3.615 5.681) 15.842 38.764 ( 14.474 58.645 -9.799) 61.194 ======================= Grid point 677 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.462 14.993 -8.989) 17.487 2.063 ( 7.279 5.338 -1.214) 9.107 2.201 ( 1.074 10.045 3.734) 10.770 3.123 ( 14.776 0.487 -8.603) 17.105 3.405 ( -2.867 2.330 3.802) 5.301 3.838 ( -6.283 8.077 -2.294) 10.487 4.478 ( 27.159 32.439 4.302) 42.525 5.017 ( 12.982 31.752 3.423) 34.474 5.929 ( 19.534 28.229 0.429) 34.331 7.336 ( 0.081 5.957 1.367) 6.112 8.358 ( 9.876 9.689 2.940) 14.144 8.767 ( 2.683 7.820 -0.884) 8.315 9.208 ( -5.245 -24.638 4.894) 25.661 10.164 ( -4.995 -3.265 -2.160) 6.346 10.656 ( 4.586 8.292 -1.091) 9.539 10.935 ( 2.557 5.617 -3.025) 6.872 11.695 ( -34.551 -28.034 -5.250) 44.802 12.948 ( 11.599 -5.400 5.546) 13.944 17.162 ( -2.117 -4.730 2.522) 5.763 17.700 ( -5.161 5.058 -1.752) 7.436 17.955 ( 8.314 -0.178 -3.583) 9.055 18.671 ( 4.609 11.887 1.523) 12.840 20.889 ( -3.504 -6.020 -0.297) 6.972 20.957 ( -3.398 -6.510 -0.039) 7.343 29.327 ( -3.864 -5.589 -0.295) 6.801 29.619 ( -3.124 -6.982 1.168) 7.738 36.151 ( 4.370 -0.288 0.449) 4.403 36.350 ( -7.224 4.731 -1.026) 8.696 37.137 ( 6.478 0.802 2.011) 6.831 39.511 ( 21.741 39.079 -1.796) 44.756 ======================= Grid point 687 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -18.321 -1.689 5.955) 19.338 1.738 ( -3.432 25.932 -6.318) 26.910 2.128 ( -10.896 8.203 -7.236) 15.439 2.840 ( 16.666 3.851 6.918) 18.451 3.378 ( 10.156 6.634 9.424) 15.361 3.760 ( -20.218 22.024 -2.214) 29.979 4.003 ( -22.630 -0.254 -4.880) 23.151 4.550 ( -9.779 24.709 -7.913) 27.727 5.302 ( -42.990 35.888 1.556) 56.022 7.176 ( -11.004 11.762 0.950) 16.135 8.210 ( 1.587 3.382 2.996) 4.789 8.631 ( -7.951 5.455 2.365) 9.928 9.552 ( 9.244 -13.270 -6.793) 17.541 10.326 ( -4.089 -12.142 1.605) 12.912 10.539 ( -9.383 9.168 -6.942) 14.842 10.710 ( 5.367 13.899 1.562) 14.981 12.411 ( 19.825 -38.858 15.744) 46.377 12.797 ( 4.004 14.621 -10.671) 18.538 17.309 ( 2.990 -8.067 -1.478) 8.729 17.672 ( 2.261 5.215 0.268) 5.690 17.820 ( -1.318 0.883 3.188) 3.561 18.482 ( -14.290 12.280 -3.588) 19.181 21.004 ( 5.238 -6.513 1.118) 8.433 21.088 ( 6.226 -7.891 1.091) 10.111 29.471 ( 10.070 -9.686 2.236) 14.150 29.757 ( 4.087 -6.085 -2.723) 7.819 36.119 ( 4.382 0.839 -2.556) 5.142 36.423 ( -8.563 -4.877 2.601) 10.192 36.985 ( 0.194 11.896 -3.320) 12.352 38.729 ( -40.602 43.590 -5.620) 59.835 ======================= Grid point 688 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -18.680 8.172 13.183) 24.280 1.917 ( -1.644 11.426 1.382) 11.627 2.005 ( -6.948 13.627 -5.904) 16.396 3.093 ( -2.038 -1.137 -3.769) 4.433 3.324 ( -11.810 -4.811 1.003) 12.792 3.790 ( 1.462 7.838 8.374) 11.563 3.903 ( -2.696 34.738 -4.798) 35.172 4.536 ( -13.548 19.779 -5.534) 24.604 5.300 ( -10.158 56.790 0.500) 57.693 7.165 ( -4.950 13.017 0.736) 13.946 8.266 ( -0.151 4.009 -3.321) 5.208 8.585 ( -5.475 5.133 7.544) 10.641 9.599 ( 8.625 -8.819 -1.177) 12.392 10.189 ( -0.915 -2.023 -0.906) 2.398 10.487 ( -2.780 3.162 3.403) 5.414 10.796 ( -6.739 4.016 -1.654) 8.017 12.211 ( 3.852 -37.171 12.367) 39.364 13.080 ( 12.240 10.902 -19.614) 25.561 17.306 ( 6.864 -6.614 -1.661) 9.675 17.587 ( -8.304 -3.751 2.690) 9.501 17.932 ( 1.471 5.232 1.372) 5.605 18.424 ( -6.066 16.833 -0.348) 17.896 21.003 ( 2.472 -8.325 1.293) 8.780 21.094 ( 3.546 -9.073 0.838) 9.778 29.491 ( 4.892 -13.457 -0.716) 14.336 29.747 ( 2.936 -5.966 -1.048) 6.731 36.179 ( -5.386 -5.341 1.268) 7.690 36.274 ( 5.089 3.439 0.023) 6.142 37.025 ( -8.687 7.083 2.160) 11.415 38.735 ( -14.269 58.726 -6.775) 60.813 ======================= Grid point 689 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 9.991 15.632 15.522) 24.189 1.903 ( -2.412 5.937 -4.627) 7.904 2.117 ( 1.120 9.208 5.695) 10.884 2.829 ( -8.553 -8.491 -11.914) 16.947 3.200 ( 5.327 -6.164 -3.607) 8.910 3.918 ( -4.243 15.532 7.053) 17.578 4.388 ( 17.506 22.934 1.828) 28.910 4.462 ( -14.075 28.710 -1.927) 32.033 5.819 ( -0.403 55.603 -0.683) 55.609 7.291 ( 1.842 18.554 0.541) 18.653 8.253 ( -3.403 5.853 -2.350) 7.166 8.639 ( 1.922 3.641 6.071) 7.336 9.520 ( -9.201 -9.513 4.817) 14.084 10.313 ( 10.660 -4.910 7.988) 14.197 10.529 ( 3.098 -1.052 5.227) 6.167 10.610 ( -5.907 -1.105 -9.733) 11.439 12.017 ( 9.318 -36.745 0.396) 37.911 13.122 ( -8.972 13.031 -15.668) 22.266 17.336 ( -2.441 -5.458 -0.649) 6.014 17.485 ( 5.987 -3.215 2.196) 7.141 17.932 ( -4.086 2.742 -1.110) 5.045 18.583 ( 1.473 17.714 3.124) 18.048 20.949 ( 0.051 -8.126 1.097) 8.200 21.039 ( -0.249 -8.331 0.071) 8.335 29.402 ( 0.364 -10.169 -2.502) 10.479 29.710 ( -0.541 -6.418 0.585) 6.467 36.063 ( -2.484 -2.383 2.545) 4.280 36.451 ( 9.500 -0.136 -1.387) 9.602 36.930 ( -7.551 3.544 6.417) 10.524 39.184 ( 0.683 58.515 -6.158) 58.842 ======================= Grid point 691 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 3.974 9.427 2.611) 10.558 1.955 ( 7.906 3.723 -2.291) 9.034 2.272 ( 5.847 5.865 4.768) 9.556 2.707 ( 12.154 -4.783 -6.902) 14.773 3.305 ( 13.079 -5.409 -4.120) 14.741 4.089 ( 0.733 12.709 6.135) 14.132 4.477 ( 0.868 27.612 -0.635) 27.633 5.046 ( 18.926 31.873 5.077) 37.415 6.203 ( -5.331 36.256 -0.988) 36.659 7.489 ( -3.847 16.458 0.464) 16.908 8.337 ( 5.219 12.997 -0.748) 14.026 8.756 ( 4.869 3.170 3.892) 6.993 9.193 ( -15.106 -21.071 4.963) 26.398 10.198 ( -6.469 -10.564 -0.452) 12.395 10.596 ( 5.759 -5.263 10.742) 13.276 10.795 ( 17.660 3.412 -5.008) 18.671 11.746 ( -6.699 -20.948 -11.732) 24.926 12.952 ( -12.054 2.743 -4.150) 13.040 17.199 ( -5.280 -3.600 2.341) 6.806 17.667 ( 13.082 -0.587 0.149) 13.096 17.880 ( -3.865 2.649 -2.354) 5.243 18.770 ( 0.802 12.405 2.766) 12.735 20.868 ( -1.515 -6.494 0.097) 6.669 20.942 ( -2.349 -6.317 -0.490) 6.757 29.312 ( -1.136 -4.355 -2.134) 4.981 29.617 ( -3.285 -6.725 1.778) 7.693 36.076 ( 3.726 -0.066 1.697) 4.095 36.492 ( -3.094 1.016 -2.047) 3.846 36.983 ( 8.069 -2.958 6.324) 10.670 39.719 ( 4.250 46.531 -1.945) 46.765 ======================= Grid point 817 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 0.000 -0.000 -13.092) 13.092 0.780 ( 0.000 -0.000 -13.092) 13.092 2.148 ( -0.000 0.000 0.108) 0.108 2.294 ( 0.000 -0.000 -0.913) 0.913 2.294 ( 0.000 -0.000 -0.913) 0.913 3.309 ( 0.000 -0.000 -4.847) 4.847 3.309 ( 0.000 -0.000 -4.847) 4.847 3.552 ( -0.000 0.000 12.463) 12.463 4.615 ( 0.000 -0.000 -5.273) 5.273 6.781 ( 0.000 -0.000 -1.437) 1.437 8.247 ( -0.000 0.000 6.607) 6.607 8.247 ( -0.000 0.000 6.607) 6.607 9.863 ( -0.000 0.000 9.709) 9.709 9.863 ( -0.000 0.000 9.709) 9.709 10.491 ( 0.000 -0.000 -11.667) 11.667 10.491 ( 0.000 -0.000 -11.667) 11.667 11.509 ( 0.000 -0.000 -0.445) 0.445 14.264 ( 0.000 -0.000 -1.263) 1.263 17.664 ( 0.000 0.000 2.607) 2.607 17.664 ( 0.000 0.000 2.607) 2.607 17.746 ( -0.000 0.000 -2.101) 2.101 17.746 ( 0.000 0.000 -2.101) 2.101 21.274 ( -0.000 0.000 1.676) 1.676 21.595 ( 0.000 -0.000 -1.249) 1.249 29.974 ( 0.000 -0.000 -0.410) 0.410 30.387 ( -0.000 0.000 0.336) 0.336 36.203 ( -0.000 0.000 3.039) 3.039 36.203 ( -0.000 0.000 3.039) 3.039 36.406 ( 0.000 -0.000 -2.817) 2.817 36.406 ( 0.000 -0.000 -2.817) 2.817 ======================= Grid point 818 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 15.838 10.752 -4.695) 19.710 1.161 ( 28.444 12.927 -10.374) 32.920 1.873 ( -6.902 -4.626 -2.193) 8.593 2.556 ( 20.853 11.171 0.099) 23.657 3.101 ( 29.209 30.703 5.754) 42.766 3.276 ( 18.346 0.056 -5.569) 19.172 3.429 ( 11.261 6.332 -2.000) 13.073 3.599 ( 2.017 1.449 7.099) 7.521 4.488 ( -6.838 -4.743 -4.024) 9.244 6.827 ( 4.762 3.145 -0.004) 5.707 8.243 ( -1.068 -3.496 6.819) 7.737 8.376 ( 5.825 6.459 2.469) 9.041 9.891 ( 2.041 -10.575 1.830) 10.925 10.008 ( 5.700 9.329 -0.273) 10.935 10.402 ( 1.125 4.556 1.510) 4.929 10.570 ( 3.562 3.617 -9.931) 11.153 11.804 ( 25.959 14.831 0.088) 29.897 13.936 ( -28.523 -17.134 -0.383) 33.276 17.571 ( -4.158 -5.213 2.690) 7.190 17.646 ( -3.983 -0.485 -2.663) 4.816 17.780 ( 1.235 6.274 2.268) 6.784 17.904 ( 13.769 3.634 -2.277) 14.422 21.233 ( -4.244 -2.452 0.947) 4.992 21.469 ( -9.715 -5.487 0.167) 11.159 29.921 ( -4.834 -2.990 0.869) 5.750 30.146 ( -18.200 -10.365 -0.277) 20.946 36.214 ( -2.467 0.096 -1.621) 2.953 36.375 ( 6.829 -8.774 0.970) 11.160 36.515 ( 8.983 17.115 -2.145) 19.448 36.805 ( 42.979 24.068 -1.216) 49.274 ======================= Grid point 819 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 18.999 0.832 -10.325) 21.640 1.665 ( 11.006 17.306 4.103) 20.916 1.886 ( 14.193 1.456 -6.003) 15.479 2.897 ( -1.769 6.668 4.577) 8.279 3.210 ( 4.739 -0.649 5.494) 7.285 3.600 ( 9.557 7.443 3.223) 12.535 3.837 ( 24.438 11.199 -6.071) 27.559 4.274 ( 6.379 5.545 -3.898) 9.308 4.607 ( 53.013 28.445 1.040) 60.171 6.999 ( 10.490 6.141 0.178) 12.157 8.218 ( -1.714 -1.913 5.369) 5.952 8.543 ( 6.728 4.535 -1.904) 8.334 9.724 ( -9.755 -1.658 -6.036) 11.591 10.226 ( 15.187 -3.111 -2.227) 15.661 10.518 ( 4.898 -0.829 1.310) 5.137 10.583 ( -4.380 9.335 0.072) 10.312 12.441 ( 24.483 12.259 -6.361) 28.110 13.115 ( -40.802 -22.094 11.529) 47.811 17.454 ( -6.120 -3.378 1.690) 7.192 17.564 ( -1.974 -3.912 -2.425) 5.008 17.863 ( 0.966 5.431 1.921) 5.841 18.224 ( 18.348 8.346 -3.108) 20.396 21.109 ( -6.902 -3.986 0.266) 7.975 21.236 ( -10.554 -5.906 0.203) 12.096 29.683 ( -17.008 -10.150 3.519) 20.117 29.843 ( -6.392 -3.428 -2.660) 7.726 36.138 ( -5.188 1.723 -3.213) 6.341 36.423 ( 7.238 -8.852 2.257) 11.655 36.794 ( 7.724 12.989 -4.024) 15.639 37.959 ( 57.175 32.772 0.083) 65.901 ======================= Grid point 831 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 6.833 15.302 -5.516) 17.643 1.107 ( -6.112 35.328 -3.425) 36.017 1.858 ( 0.029 -9.300 -0.266) 9.303 2.562 ( -1.541 24.172 -0.113) 24.222 3.139 ( 8.062 56.695 3.133) 57.351 3.263 ( -4.140 0.048 -6.566) 7.763 3.405 ( -2.337 17.491 -0.036) 17.647 3.626 ( 0.663 -1.129 5.634) 5.784 4.469 ( -0.404 -8.477 -2.051) 8.731 6.826 ( 0.162 5.820 0.115) 5.824 8.285 ( -2.177 -1.169 1.628) 2.959 8.369 ( 2.332 6.711 3.077) 7.743 9.819 ( -4.664 -8.429 8.726) 12.998 10.056 ( 2.462 7.201 -4.716) 8.953 10.450 ( 3.927 6.149 3.087) 7.922 10.517 ( -1.909 7.611 -10.283) 12.935 11.795 ( 0.010 28.622 1.278) 28.651 13.951 ( -0.365 -30.253 -2.321) 30.344 17.593 ( -5.056 -5.675 1.560) 7.759 17.625 ( 5.879 -4.507 -1.515) 7.561 17.801 ( 0.837 4.887 -0.146) 4.960 17.879 ( -1.531 12.537 0.579) 12.644 21.237 ( 0.001 -4.942 0.444) 4.962 21.468 ( 0.049 -11.110 0.301) 11.114 29.928 ( -0.079 -4.182 -0.072) 4.183 30.143 ( 0.050 -22.024 0.102) 22.024 36.173 ( -3.669 -3.536 3.299) 6.070 36.402 ( 15.313 3.220 -2.028) 15.779 36.501 ( -14.093 12.279 -0.193) 18.693 36.817 ( 2.448 51.468 -2.756) 51.600 ======================= Grid point 832 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -2.667 28.235 -7.043) 29.222 1.447 ( 24.552 12.982 3.644) 28.011 1.823 ( 0.589 5.890 3.053) 6.660 3.047 ( 25.114 22.506 0.092) 33.723 3.148 ( -5.761 5.273 -4.169) 8.853 3.495 ( -1.039 2.241 3.412) 4.212 3.683 ( 6.190 9.937 -3.220) 12.142 4.110 ( 28.191 47.874 -0.313) 55.558 4.408 ( 4.305 8.128 2.989) 9.671 6.944 ( 5.396 9.337 -0.392) 10.792 8.250 ( -1.154 -2.785 3.475) 4.601 8.494 ( 3.748 7.620 -3.542) 9.201 9.726 ( -1.350 -11.445 6.609) 13.285 10.154 ( -0.550 10.819 1.078) 10.887 10.471 ( -1.458 1.192 -4.861) 5.213 10.644 ( 8.322 7.300 -2.119) 11.271 12.266 ( 15.771 29.631 -1.784) 33.614 13.381 ( -22.291 -40.902 2.592) 46.654 17.448 ( -4.620 -8.723 1.455) 9.977 17.651 ( -2.375 2.332 -1.697) 3.736 17.834 ( 5.043 0.794 -2.736) 5.792 18.104 ( 7.785 16.018 2.445) 17.977 21.150 ( -3.737 -6.436 -0.038) 7.442 21.298 ( -6.339 -11.062 -0.191) 12.751 29.818 ( -11.737 -19.175 0.848) 22.498 29.853 ( -2.629 -5.765 -0.666) 6.371 36.187 ( 7.052 -6.208 2.524) 9.728 36.323 ( -12.507 6.925 -2.361) 14.490 36.789 ( 13.646 11.116 1.738) 17.686 37.606 ( 30.735 55.640 -1.932) 63.594 ======================= Grid point 988 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.86e-04 6.24e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -0.000 0.000 0.000) 0.000 0.653 ( -0.000 0.000 0.000) 0.000 2.142 ( -0.000 0.000 0.000) 0.000 2.294 ( -0.000 0.000 0.000) 0.000 2.294 ( -0.000 0.000 0.000) 0.000 3.270 ( -0.000 0.000 0.000) 0.000 3.270 ( -0.000 0.000 0.000) 0.000 3.664 ( -0.000 0.000 0.000) 0.000 4.564 ( -0.000 0.000 0.000) 0.000 6.770 ( -0.000 0.000 0.000) 0.000 8.298 ( -0.000 0.000 0.000) 0.000 8.298 ( -0.000 0.000 0.000) 0.000 9.957 ( -0.000 0.000 0.000) 0.000 9.957 ( -0.000 0.000 0.000) 0.000 10.382 ( -0.000 0.000 -0.000) 0.000 10.382 ( 0.000 0.000 -0.000) 0.000 11.505 ( -0.000 0.000 0.000) 0.000 14.255 ( -0.000 0.000 0.000) 0.000 17.693 ( 0.000 0.000 0.000) 0.000 17.693 ( 0.000 0.000 0.000) 0.000 17.721 ( 0.000 0.000 0.000) 0.000 17.721 ( 0.000 0.000 0.000) 0.000 21.288 ( -0.000 0.000 0.000) 0.000 21.585 ( -0.000 0.000 0.000) 0.000 29.971 ( -0.000 0.000 0.000) 0.000 30.389 ( -0.000 0.000 0.000) 0.000 36.230 ( -0.000 0.000 0.000) 0.000 36.230 ( -0.000 0.000 0.000) 0.000 36.381 ( -0.000 0.000 0.000) 0.000 36.381 ( -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 76.449 76.449 105.030 0.000 -0.000 0.000 3/51840 20.0 29.905 29.905 18.447 0.000 -0.000 0.000 3/51840 30.0 16.342 16.342 8.645 0.000 -0.000 0.000 3/51840 40.0 11.139 11.139 5.576 0.000 -0.000 0.000 3/51840 50.0 8.764 8.764 4.152 0.000 -0.000 0.000 3/51840 60.0 7.499 7.499 3.338 0.000 -0.000 0.000 3/51840 70.0 6.721 6.721 2.812 0.000 -0.000 0.000 3/51840 80.0 6.176 6.176 2.443 0.000 -0.000 0.000 3/51840 90.0 5.756 5.756 2.169 0.000 -0.000 0.000 3/51840 100.0 5.410 5.410 1.958 0.000 -0.000 0.000 3/51840 110.0 5.110 5.110 1.788 0.000 -0.000 0.000 3/51840 120.0 4.845 4.845 1.650 0.000 -0.000 0.000 3/51840 130.0 4.606 4.606 1.534 0.000 -0.000 0.000 3/51840 140.0 4.388 4.388 1.434 0.000 -0.000 0.000 3/51840 150.0 4.189 4.189 1.349 0.000 -0.000 0.000 3/51840 160.0 4.005 4.005 1.273 0.000 -0.000 0.000 3/51840 170.0 3.835 3.835 1.207 0.000 -0.000 0.000 3/51840 180.0 3.679 3.679 1.148 0.000 -0.000 0.000 3/51840 190.0 3.533 3.533 1.095 0.000 -0.000 0.000 3/51840 200.0 3.398 3.398 1.047 0.000 -0.000 0.000 3/51840 210.0 3.272 3.272 1.003 0.000 -0.000 0.000 3/51840 220.0 3.155 3.155 0.963 0.000 -0.000 0.000 3/51840 230.0 3.045 3.045 0.927 0.000 -0.000 0.000 3/51840 240.0 2.943 2.943 0.894 0.000 -0.000 0.000 3/51840 250.0 2.847 2.847 0.863 0.000 -0.000 0.000 3/51840 260.0 2.758 2.758 0.835 0.000 -0.000 0.000 3/51840 270.0 2.673 2.673 0.809 0.000 -0.000 0.000 3/51840 280.0 2.594 2.594 0.785 0.000 -0.000 0.000 3/51840 290.0 2.520 2.520 0.763 0.000 -0.000 0.000 3/51840 300.0 2.450 2.450 0.742 0.000 -0.000 0.000 3/51840 310.0 2.383 2.383 0.723 0.000 -0.000 0.000 3/51840 320.0 2.320 2.320 0.705 0.000 -0.000 0.000 3/51840 330.0 2.261 2.261 0.688 0.000 -0.000 0.000 3/51840 340.0 2.205 2.205 0.672 0.000 -0.000 0.000 3/51840 350.0 2.152 2.152 0.657 0.000 -0.000 0.000 3/51840 360.0 2.101 2.101 0.643 0.000 -0.000 0.000 3/51840 370.0 2.053 2.053 0.630 0.000 -0.000 0.000 3/51840 380.0 2.007 2.007 0.618 0.000 -0.000 0.000 3/51840 390.0 1.963 1.963 0.606 0.000 -0.000 0.000 3/51840 400.0 1.921 1.921 0.595 0.000 -0.000 0.000 3/51840 410.0 1.881 1.881 0.584 0.000 -0.000 0.000 3/51840 420.0 1.843 1.843 0.574 0.000 -0.000 0.000 3/51840 430.0 1.806 1.806 0.564 0.000 -0.000 0.000 3/51840 440.0 1.771 1.771 0.555 0.000 -0.000 0.000 3/51840 450.0 1.737 1.737 0.546 0.000 -0.000 0.000 3/51840 460.0 1.705 1.705 0.538 0.000 -0.000 0.000 3/51840 470.0 1.673 1.673 0.530 0.000 -0.000 0.000 3/51840 480.0 1.643 1.643 0.522 0.000 -0.000 0.000 3/51840 490.0 1.615 1.615 0.515 0.000 -0.000 0.000 3/51840 500.0 1.587 1.587 0.507 0.000 -0.000 0.000 3/51840 510.0 1.560 1.560 0.500 0.000 -0.000 0.000 3/51840 520.0 1.534 1.534 0.494 0.000 -0.000 0.000 3/51840 530.0 1.509 1.509 0.487 0.000 -0.000 0.000 3/51840 540.0 1.485 1.485 0.481 0.000 -0.000 0.000 3/51840 550.0 1.461 1.461 0.475 0.000 -0.000 0.000 3/51840 560.0 1.439 1.439 0.469 0.000 -0.000 0.000 3/51840 570.0 1.417 1.417 0.463 0.000 -0.000 0.000 3/51840 580.0 1.395 1.395 0.458 0.000 -0.000 0.000 3/51840 590.0 1.375 1.375 0.452 0.000 -0.000 0.000 3/51840 600.0 1.355 1.355 0.447 0.000 -0.000 0.000 3/51840 610.0 1.335 1.335 0.442 0.000 -0.000 0.000 3/51840 620.0 1.316 1.316 0.437 0.000 -0.000 0.000 3/51840 630.0 1.298 1.298 0.432 0.000 -0.000 0.000 3/51840 640.0 1.280 1.280 0.427 0.000 -0.000 0.000 3/51840 650.0 1.263 1.263 0.423 0.000 -0.000 0.000 3/51840 660.0 1.246 1.246 0.418 0.000 -0.000 0.000 3/51840 670.0 1.230 1.230 0.414 0.000 -0.000 0.000 3/51840 680.0 1.214 1.214 0.409 0.000 -0.000 0.000 3/51840 690.0 1.198 1.198 0.405 0.000 -0.000 0.000 3/51840 700.0 1.183 1.183 0.401 0.000 -0.000 0.000 3/51840 710.0 1.168 1.168 0.397 0.000 -0.000 0.000 3/51840 720.0 1.154 1.154 0.393 0.000 -0.000 0.000 3/51840 730.0 1.140 1.140 0.389 0.000 -0.000 0.000 3/51840 740.0 1.126 1.126 0.385 0.000 -0.000 0.000 3/51840 750.0 1.113 1.113 0.381 0.000 -0.000 0.000 3/51840 760.0 1.100 1.100 0.378 0.000 -0.000 0.000 3/51840 770.0 1.087 1.087 0.374 0.000 -0.000 0.000 3/51840 780.0 1.075 1.075 0.371 0.000 -0.000 0.000 3/51840 790.0 1.062 1.062 0.367 0.000 -0.000 0.000 3/51840 800.0 1.051 1.051 0.364 0.000 -0.000 0.000 3/51840 810.0 1.039 1.039 0.360 0.000 -0.000 0.000 3/51840 820.0 1.028 1.028 0.357 0.000 -0.000 0.000 3/51840 830.0 1.016 1.016 0.354 0.000 -0.000 0.000 3/51840 840.0 1.006 1.006 0.351 0.000 -0.000 0.000 3/51840 850.0 0.995 0.995 0.348 0.000 -0.000 0.000 3/51840 860.0 0.984 0.984 0.345 0.000 -0.000 0.000 3/51840 870.0 0.974 0.974 0.342 0.000 -0.000 0.000 3/51840 880.0 0.964 0.964 0.339 0.000 -0.000 0.000 3/51840 890.0 0.954 0.954 0.336 0.000 -0.000 0.000 3/51840 900.0 0.945 0.945 0.333 0.000 -0.000 0.000 3/51840 910.0 0.935 0.935 0.330 0.000 -0.000 0.000 3/51840 920.0 0.926 0.926 0.327 0.000 -0.000 0.000 3/51840 930.0 0.917 0.917 0.325 0.000 -0.000 0.000 3/51840 940.0 0.908 0.908 0.322 0.000 -0.000 0.000 3/51840 950.0 0.900 0.900 0.319 0.000 -0.000 0.000 3/51840 960.0 0.891 0.891 0.317 0.000 -0.000 0.000 3/51840 970.0 0.883 0.883 0.314 0.000 -0.000 0.000 3/51840 980.0 0.874 0.874 0.312 0.000 -0.000 0.000 3/51840 990.0 0.866 0.866 0.309 0.000 -0.000 0.000 3/51840 1000.0 0.858 0.858 0.307 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 2026-01-08 00:01:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|