----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:22:49]------------------------- 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 2.715711180140987 1.567916580895672 4.751167109999995 b -2.715711180140982 1.567916580895672 4.751167109999995 c 0.000000000000003 -3.135833161791349 4.751167109999995 Atomic positions (fractional): *1 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 *2 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 *3 F 0.16781494628568 0.72579846204097 0.37840480635715 18.998 4 F 0.27420153795904 0.62159519364285 0.83218505371432 18.998 5 F 0.72579846204096 0.37840480635715 0.16781494628568 18.998 6 F 0.37840480635715 0.16781494628568 0.72579846204096 18.998 7 F 0.83218505371432 0.27420153795903 0.62159519364285 18.998 8 F 0.62159519364285 0.83218505371432 0.27420153795904 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.431422360281969 0.000000000000000 0.000000000000000 b -2.715711180140985 4.703749742687021 0.000000000000000 c 0.000000000000000 0.000000000000000 14.253501330000002 Atomic positions (fractional): *1 Ti 0.33333333333333 0.66666666666667 0.16666666666667 47.867 > 1 2 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 1 3 Ti 0.66666666666667 0.33333333333333 0.83333333333333 47.867 > 1 *4 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 2 5 Cd 0.66666666666667 0.33333333333333 0.33333333333333 112.411 > 2 6 Cd 0.33333333333333 0.66666666666667 0.66666666666667 112.411 > 2 *7 F 0.07714220805775 0.71226793187078 0.09067273822793 18.998 > 3 8 F 0.03154094285363 0.41047554139108 0.24266059510540 18.998 > 4 9 F 0.63512572381304 0.92285779194225 0.09067273822793 18.998 > 5 10 F 0.28773206812922 0.36487427618696 0.09067273822793 18.998 > 6 11 F 0.58952445860892 0.62106540146255 0.24266059510540 18.998 > 7 12 F 0.37893459853745 0.96845905714637 0.24266059510540 18.998 > 8 13 F 0.74380887472441 0.04560126520411 0.42400607156126 18.998 > 3 14 F 0.69820760952030 0.74380887472441 0.57599392843874 18.998 > 4 15 F 0.30179239047970 0.25619112527559 0.42400607156126 18.998 > 5 16 F 0.95439873479588 0.69820760952030 0.42400607156126 18.998 > 6 17 F 0.25619112527559 0.95439873479588 0.57599392843874 18.998 > 7 18 F 0.04560126520411 0.30179239047970 0.57599392843874 18.998 > 8 19 F 0.41047554139108 0.37893459853745 0.75733940489460 18.998 > 3 20 F 0.36487427618696 0.07714220805775 0.90932726177207 18.998 > 4 21 F 0.96845905714637 0.58952445860892 0.75733940489460 18.998 > 5 22 F 0.62106540146255 0.03154094285363 0.75733940489460 18.998 > 6 23 F 0.92285779194225 0.28773206812922 0.90932726177207 18.998 > 7 24 F 0.71226793187078 0.63512572381304 0.90932726177207 18.998 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.862844720563938 0.000000000000000 0.000000000000000 b -5.431422360281970 9.407499485374043 0.000000000000000 c 0.000000000000000 0.000000000000000 14.253501330000002 Atomic positions (fractional): *1 Ti 0.16666666666667 0.33333333333333 0.16666666666667 47.867 > 1 2 Ti 0.66666666666667 0.33333333333333 0.16666666666667 47.867 > 1 3 Ti 0.16666666666667 0.83333333333333 0.16666666666667 47.867 > 1 4 Ti 0.66666666666667 0.83333333333333 0.16666666666667 47.867 > 1 5 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 1 6 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 1 7 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 1 8 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 1 9 Ti 0.33333333333333 0.16666666666667 0.83333333333333 47.867 > 1 10 Ti 0.83333333333333 0.16666666666667 0.83333333333333 47.867 > 1 11 Ti 0.33333333333333 0.66666666666667 0.83333333333333 47.867 > 1 12 Ti 0.83333333333333 0.66666666666667 0.83333333333333 47.867 > 1 *13 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 2 14 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 2 15 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 2 16 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 2 17 Cd 0.33333333333333 0.16666666666667 0.33333333333333 112.411 > 2 18 Cd 0.83333333333333 0.16666666666667 0.33333333333333 112.411 > 2 19 Cd 0.33333333333333 0.66666666666667 0.33333333333333 112.411 > 2 20 Cd 0.83333333333333 0.66666666666667 0.33333333333333 112.411 > 2 21 Cd 0.16666666666667 0.33333333333333 0.66666666666667 112.411 > 2 22 Cd 0.66666666666667 0.33333333333333 0.66666666666667 112.411 > 2 23 Cd 0.16666666666667 0.83333333333333 0.66666666666667 112.411 > 2 24 Cd 0.66666666666667 0.83333333333333 0.66666666666667 112.411 > 2 *25 F 0.03857110402887 0.35613396593539 0.09067273822793 18.998 > 3 26 F 0.53857110402887 0.35613396593539 0.09067273822793 18.998 > 3 27 F 0.03857110402887 0.85613396593539 0.09067273822793 18.998 > 3 28 F 0.53857110402887 0.85613396593539 0.09067273822793 18.998 > 3 29 F 0.01577047142682 0.20523777069554 0.24266059510540 18.998 > 4 30 F 0.51577047142682 0.20523777069554 0.24266059510540 18.998 > 4 31 F 0.01577047142682 0.70523777069554 0.24266059510540 18.998 > 4 32 F 0.51577047142682 0.70523777069554 0.24266059510540 18.998 > 4 33 F 0.31756286190652 0.46142889597113 0.09067273822793 18.998 > 5 34 F 0.81756286190652 0.46142889597113 0.09067273822793 18.998 > 5 35 F 0.31756286190652 0.96142889597113 0.09067273822793 18.998 > 5 36 F 0.81756286190652 0.96142889597113 0.09067273822793 18.998 > 5 37 F 0.14386603406461 0.18243713809348 0.09067273822793 18.998 > 6 38 F 0.64386603406461 0.18243713809348 0.09067273822793 18.998 > 6 39 F 0.14386603406461 0.68243713809348 0.09067273822793 18.998 > 6 40 F 0.64386603406461 0.68243713809348 0.09067273822793 18.998 > 6 41 F 0.29476222930446 0.31053270073128 0.24266059510540 18.998 > 7 42 F 0.79476222930446 0.31053270073128 0.24266059510540 18.998 > 7 43 F 0.29476222930446 0.81053270073128 0.24266059510540 18.998 > 7 44 F 0.79476222930446 0.81053270073128 0.24266059510540 18.998 > 7 45 F 0.18946729926872 0.48422952857318 0.24266059510540 18.998 > 8 46 F 0.68946729926872 0.48422952857318 0.24266059510540 18.998 > 8 47 F 0.18946729926872 0.98422952857318 0.24266059510540 18.998 > 8 48 F 0.68946729926872 0.98422952857318 0.24266059510540 18.998 > 8 49 F 0.37190443736221 0.02280063260206 0.42400607156126 18.998 > 3 50 F 0.87190443736221 0.02280063260206 0.42400607156126 18.998 > 3 51 F 0.37190443736221 0.52280063260206 0.42400607156126 18.998 > 3 52 F 0.87190443736221 0.52280063260206 0.42400607156126 18.998 > 3 53 F 0.34910380476015 0.37190443736221 0.57599392843874 18.998 > 4 54 F 0.84910380476015 0.37190443736221 0.57599392843874 18.998 > 4 55 F 0.34910380476015 0.87190443736221 0.57599392843874 18.998 > 4 56 F 0.84910380476015 0.87190443736221 0.57599392843874 18.998 > 4 57 F 0.15089619523985 0.12809556263779 0.42400607156126 18.998 > 5 58 F 0.65089619523985 0.12809556263779 0.42400607156126 18.998 > 5 59 F 0.15089619523985 0.62809556263779 0.42400607156126 18.998 > 5 60 F 0.65089619523985 0.62809556263779 0.42400607156126 18.998 > 5 61 F 0.47719936739794 0.34910380476015 0.42400607156126 18.998 > 6 62 F 0.97719936739794 0.34910380476015 0.42400607156126 18.998 > 6 63 F 0.47719936739794 0.84910380476015 0.42400607156126 18.998 > 6 64 F 0.97719936739794 0.84910380476015 0.42400607156126 18.998 > 6 65 F 0.12809556263779 0.47719936739794 0.57599392843874 18.998 > 7 66 F 0.62809556263779 0.47719936739794 0.57599392843874 18.998 > 7 67 F 0.12809556263779 0.97719936739794 0.57599392843874 18.998 > 7 68 F 0.62809556263779 0.97719936739794 0.57599392843874 18.998 > 7 69 F 0.02280063260206 0.15089619523985 0.57599392843874 18.998 > 8 70 F 0.52280063260206 0.15089619523985 0.57599392843874 18.998 > 8 71 F 0.02280063260206 0.65089619523985 0.57599392843874 18.998 > 8 72 F 0.52280063260206 0.65089619523985 0.57599392843874 18.998 > 8 73 F 0.20523777069554 0.18946729926872 0.75733940489460 18.998 > 3 74 F 0.70523777069554 0.18946729926872 0.75733940489460 18.998 > 3 75 F 0.20523777069554 0.68946729926872 0.75733940489460 18.998 > 3 76 F 0.70523777069554 0.68946729926872 0.75733940489460 18.998 > 3 77 F 0.18243713809348 0.03857110402887 0.90932726177207 18.998 > 4 78 F 0.68243713809348 0.03857110402887 0.90932726177207 18.998 > 4 79 F 0.18243713809348 0.53857110402887 0.90932726177207 18.998 > 4 80 F 0.68243713809348 0.53857110402887 0.90932726177207 18.998 > 4 81 F 0.48422952857318 0.29476222930446 0.75733940489460 18.998 > 5 82 F 0.98422952857318 0.29476222930446 0.75733940489460 18.998 > 5 83 F 0.48422952857318 0.79476222930446 0.75733940489460 18.998 > 5 84 F 0.98422952857318 0.79476222930446 0.75733940489460 18.998 > 5 85 F 0.31053270073128 0.01577047142682 0.75733940489460 18.998 > 6 86 F 0.81053270073128 0.01577047142682 0.75733940489460 18.998 > 6 87 F 0.31053270073128 0.51577047142682 0.75733940489460 18.998 > 6 88 F 0.81053270073128 0.51577047142682 0.75733940489460 18.998 > 6 89 F 0.46142889597113 0.14386603406461 0.90932726177207 18.998 > 7 90 F 0.96142889597113 0.14386603406461 0.90932726177207 18.998 > 7 91 F 0.46142889597113 0.64386603406461 0.90932726177207 18.998 > 7 92 F 0.96142889597113 0.64386603406461 0.90932726177207 18.998 > 7 93 F 0.35613396593539 0.31756286190652 0.90932726177207 18.998 > 8 94 F 0.85613396593539 0.31756286190652 0.90932726177207 18.998 > 8 95 F 0.35613396593539 0.81756286190652 0.90932726177207 18.998 > 8 96 F 0.85613396593539 0.81756286190652 0.90932726177207 18.998 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5334139 -0.0000003 0.0000000 0.0000003 2.5334139 0.0000000 0.0000000 0.0000000 2.5905830 -------------------------- Born effective charges -------------------------- 1 Ti 4.6857041 0.4581975 0.0000000 -0.4581975 4.6857041 0.0000000 0.0000000 -0.0000000 4.7883730 2 Cd 2.6409161 -0.3354587 0.0000000 0.3354587 2.6409161 0.0000000 0.0000000 -0.0000000 2.8191320 3 F -1.6730297 0.3408177 -0.8542219 0.3817307 -0.7691770 0.3152913 -0.8536742 0.2930058 -1.2679175 4 F -1.3080128 -0.5924733 0.7001613 -0.5515603 -1.1341939 0.5821322 0.6805875 0.5928006 -1.2679175 5 F -1.3080128 -0.5924733 0.7001613 -0.5515603 -1.1341939 0.5821322 0.6805875 0.5928006 -1.2679175 6 F -0.6822675 0.1902861 0.1540606 0.2311991 -1.7599392 -0.8974235 0.1730866 -0.8858064 -1.2679175 7 F -1.6730297 0.3408177 -0.8542219 0.3817307 -0.7691770 0.3152913 -0.8536742 0.2930058 -1.2679175 8 F -0.6822675 0.1902861 0.1540606 0.2311991 -1.7599392 -0.8974235 0.1730866 -0.8858064 -1.2679175 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 296 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: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 160 - Time: 0.492 Solver_block: 160 / 160 - Time: 0.336 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.844 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 296 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: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), 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 2026-01-08 20:22:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:22:56]------------------------- 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 2.715711180140987 1.567916580895672 4.751167109999995 b -2.715711180140982 1.567916580895672 4.751167109999995 c 0.000000000000003 -3.135833161791349 4.751167109999995 Atomic positions (fractional): 1 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 2 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 3 F 0.16781494628568 0.72579846204097 0.37840480635715 18.998 4 F 0.27420153795904 0.62159519364285 0.83218505371432 18.998 5 F 0.72579846204096 0.37840480635715 0.16781494628568 18.998 6 F 0.37840480635715 0.16781494628568 0.72579846204096 18.998 7 F 0.83218505371432 0.27420153795903 0.62159519364285 18.998 8 F 0.62159519364285 0.83218505371432 0.27420153795904 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.862844720563938 0.000000000000000 0.000000000000000 b -5.431422360281970 9.407499485374043 0.000000000000000 c 0.000000000000000 0.000000000000000 14.253501330000002 Atomic positions (fractional): 1 Ti 0.16666666666667 0.33333333333333 0.16666666666667 47.867 > 1 2 Ti 0.66666666666667 0.33333333333333 0.16666666666667 47.867 > 1 3 Ti 0.16666666666667 0.83333333333333 0.16666666666667 47.867 > 1 4 Ti 0.66666666666667 0.83333333333333 0.16666666666667 47.867 > 1 5 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 1 6 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 1 7 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 1 8 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 1 9 Ti 0.33333333333333 0.16666666666667 0.83333333333333 47.867 > 1 10 Ti 0.83333333333333 0.16666666666667 0.83333333333333 47.867 > 1 11 Ti 0.33333333333333 0.66666666666667 0.83333333333333 47.867 > 1 12 Ti 0.83333333333333 0.66666666666667 0.83333333333333 47.867 > 1 13 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 13 14 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 13 15 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 13 16 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 13 17 Cd 0.33333333333333 0.16666666666667 0.33333333333333 112.411 > 13 18 Cd 0.83333333333333 0.16666666666667 0.33333333333333 112.411 > 13 19 Cd 0.33333333333333 0.66666666666667 0.33333333333333 112.411 > 13 20 Cd 0.83333333333333 0.66666666666667 0.33333333333333 112.411 > 13 21 Cd 0.16666666666667 0.33333333333333 0.66666666666667 112.411 > 13 22 Cd 0.66666666666667 0.33333333333333 0.66666666666667 112.411 > 13 23 Cd 0.16666666666667 0.83333333333333 0.66666666666667 112.411 > 13 24 Cd 0.66666666666667 0.83333333333333 0.66666666666667 112.411 > 13 25 F 0.03857110402887 0.35613396593539 0.09067273822793 18.998 > 25 26 F 0.53857110402887 0.35613396593539 0.09067273822793 18.998 > 25 27 F 0.03857110402887 0.85613396593539 0.09067273822793 18.998 > 25 28 F 0.53857110402887 0.85613396593539 0.09067273822793 18.998 > 25 29 F 0.01577047142682 0.20523777069554 0.24266059510540 18.998 > 29 30 F 0.51577047142682 0.20523777069554 0.24266059510540 18.998 > 29 31 F 0.01577047142682 0.70523777069554 0.24266059510540 18.998 > 29 32 F 0.51577047142682 0.70523777069554 0.24266059510540 18.998 > 29 33 F 0.31756286190652 0.46142889597113 0.09067273822793 18.998 > 33 34 F 0.81756286190652 0.46142889597113 0.09067273822793 18.998 > 33 35 F 0.31756286190652 0.96142889597113 0.09067273822793 18.998 > 33 36 F 0.81756286190652 0.96142889597113 0.09067273822793 18.998 > 33 37 F 0.14386603406461 0.18243713809348 0.09067273822793 18.998 > 37 38 F 0.64386603406461 0.18243713809348 0.09067273822793 18.998 > 37 39 F 0.14386603406461 0.68243713809348 0.09067273822793 18.998 > 37 40 F 0.64386603406461 0.68243713809348 0.09067273822793 18.998 > 37 41 F 0.29476222930446 0.31053270073128 0.24266059510540 18.998 > 41 42 F 0.79476222930446 0.31053270073128 0.24266059510540 18.998 > 41 43 F 0.29476222930446 0.81053270073128 0.24266059510540 18.998 > 41 44 F 0.79476222930446 0.81053270073128 0.24266059510540 18.998 > 41 45 F 0.18946729926872 0.48422952857318 0.24266059510540 18.998 > 45 46 F 0.68946729926872 0.48422952857318 0.24266059510540 18.998 > 45 47 F 0.18946729926872 0.98422952857318 0.24266059510540 18.998 > 45 48 F 0.68946729926872 0.98422952857318 0.24266059510540 18.998 > 45 49 F 0.37190443736221 0.02280063260206 0.42400607156126 18.998 > 25 50 F 0.87190443736221 0.02280063260206 0.42400607156126 18.998 > 25 51 F 0.37190443736221 0.52280063260206 0.42400607156126 18.998 > 25 52 F 0.87190443736221 0.52280063260206 0.42400607156126 18.998 > 25 53 F 0.34910380476015 0.37190443736221 0.57599392843874 18.998 > 29 54 F 0.84910380476015 0.37190443736221 0.57599392843874 18.998 > 29 55 F 0.34910380476015 0.87190443736221 0.57599392843874 18.998 > 29 56 F 0.84910380476015 0.87190443736221 0.57599392843874 18.998 > 29 57 F 0.15089619523985 0.12809556263779 0.42400607156126 18.998 > 33 58 F 0.65089619523985 0.12809556263779 0.42400607156126 18.998 > 33 59 F 0.15089619523985 0.62809556263779 0.42400607156126 18.998 > 33 60 F 0.65089619523985 0.62809556263779 0.42400607156126 18.998 > 33 61 F 0.47719936739794 0.34910380476015 0.42400607156126 18.998 > 37 62 F 0.97719936739794 0.34910380476015 0.42400607156126 18.998 > 37 63 F 0.47719936739794 0.84910380476015 0.42400607156126 18.998 > 37 64 F 0.97719936739794 0.84910380476015 0.42400607156126 18.998 > 37 65 F 0.12809556263779 0.47719936739794 0.57599392843874 18.998 > 41 66 F 0.62809556263779 0.47719936739794 0.57599392843874 18.998 > 41 67 F 0.12809556263779 0.97719936739794 0.57599392843874 18.998 > 41 68 F 0.62809556263779 0.97719936739794 0.57599392843874 18.998 > 41 69 F 0.02280063260206 0.15089619523985 0.57599392843874 18.998 > 45 70 F 0.52280063260206 0.15089619523985 0.57599392843874 18.998 > 45 71 F 0.02280063260206 0.65089619523985 0.57599392843874 18.998 > 45 72 F 0.52280063260206 0.65089619523985 0.57599392843874 18.998 > 45 73 F 0.20523777069554 0.18946729926872 0.75733940489460 18.998 > 25 74 F 0.70523777069554 0.18946729926872 0.75733940489460 18.998 > 25 75 F 0.20523777069554 0.68946729926872 0.75733940489460 18.998 > 25 76 F 0.70523777069554 0.68946729926872 0.75733940489460 18.998 > 25 77 F 0.18243713809348 0.03857110402887 0.90932726177207 18.998 > 29 78 F 0.68243713809348 0.03857110402887 0.90932726177207 18.998 > 29 79 F 0.18243713809348 0.53857110402887 0.90932726177207 18.998 > 29 80 F 0.68243713809348 0.53857110402887 0.90932726177207 18.998 > 29 81 F 0.48422952857318 0.29476222930446 0.75733940489460 18.998 > 33 82 F 0.98422952857318 0.29476222930446 0.75733940489460 18.998 > 33 83 F 0.48422952857318 0.79476222930446 0.75733940489460 18.998 > 33 84 F 0.98422952857318 0.79476222930446 0.75733940489460 18.998 > 33 85 F 0.31053270073128 0.01577047142682 0.75733940489460 18.998 > 37 86 F 0.81053270073128 0.01577047142682 0.75733940489460 18.998 > 37 87 F 0.31053270073128 0.51577047142682 0.75733940489460 18.998 > 37 88 F 0.81053270073128 0.51577047142682 0.75733940489460 18.998 > 37 89 F 0.46142889597113 0.14386603406461 0.90932726177207 18.998 > 41 90 F 0.96142889597113 0.14386603406461 0.90932726177207 18.998 > 41 91 F 0.46142889597113 0.64386603406461 0.90932726177207 18.998 > 41 92 F 0.96142889597113 0.64386603406461 0.90932726177207 18.998 > 41 93 F 0.35613396593539 0.31756286190652 0.90932726177207 18.998 > 45 94 F 0.85613396593539 0.31756286190652 0.90932726177207 18.998 > 45 95 F 0.35613396593539 0.81756286190652 0.90932726177207 18.998 > 45 96 F 0.85613396593539 0.81756286190652 0.90932726177207 18.998 > 45 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5334139 -0.0000003 0.0000000 0.0000003 2.5334139 0.0000000 0.0000000 0.0000000 2.5905830 -------------------------- Born effective charges -------------------------- 1 Ti 4.6857041 0.4581975 0.0000000 -0.4581975 4.6857041 0.0000000 0.0000000 -0.0000000 4.7883730 2 Cd 2.6409161 -0.3354587 0.0000000 0.3354587 2.6409161 0.0000000 0.0000000 -0.0000000 2.8191320 3 F -1.6730297 0.3408177 -0.8542219 0.3817307 -0.7691770 0.3152913 -0.8536742 0.2930058 -1.2679175 4 F -1.3080128 -0.5924733 0.7001613 -0.5515603 -1.1341939 0.5821322 0.6805875 0.5928006 -1.2679175 5 F -1.3080128 -0.5924733 0.7001613 -0.5515603 -1.1341939 0.5821322 0.6805875 0.5928006 -1.2679175 6 F -0.6822675 0.1902861 0.1540606 0.2311991 -1.7599392 -0.8974235 0.1730866 -0.8858064 -1.2679175 7 F -1.6730297 0.3408177 -0.8542219 0.3817307 -0.7691770 0.3152913 -0.8536742 0.2930058 -1.2679175 8 F -0.6822675 0.1902861 0.1540606 0.2311991 -1.7599392 -0.8974235 0.1730866 -0.8858064 -1.2679175 ---------------------------------------------------------------------------- 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[ 13, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (zxy) -0.00000003 (zxy) -0.00000003 (zyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000013 (xy) -0.00000013 (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 2026-01-08 20:23:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:23:03]------------------------- 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 2.715711180140987 1.567916580895672 4.751167109999995 b -2.715711180140982 1.567916580895672 4.751167109999995 c 0.000000000000003 -3.135833161791349 4.751167109999995 Atomic positions (fractional): 1 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 2 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 3 F 0.16781494628568 0.72579846204097 0.37840480635715 18.998 4 F 0.27420153795904 0.62159519364285 0.83218505371432 18.998 5 F 0.72579846204096 0.37840480635715 0.16781494628568 18.998 6 F 0.37840480635715 0.16781494628568 0.72579846204096 18.998 7 F 0.83218505371432 0.27420153795903 0.62159519364285 18.998 8 F 0.62159519364285 0.83218505371432 0.27420153795904 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.862844720563938 0.000000000000000 0.000000000000000 b -5.431422360281970 9.407499485374043 0.000000000000000 c 0.000000000000000 0.000000000000000 14.253501330000002 Atomic positions (fractional): 1 Ti 0.16666666666667 0.33333333333333 0.16666666666667 47.867 > 1 2 Ti 0.66666666666667 0.33333333333333 0.16666666666667 47.867 > 1 3 Ti 0.16666666666667 0.83333333333333 0.16666666666667 47.867 > 1 4 Ti 0.66666666666667 0.83333333333333 0.16666666666667 47.867 > 1 5 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 1 6 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 1 7 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 1 8 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 1 9 Ti 0.33333333333333 0.16666666666667 0.83333333333333 47.867 > 1 10 Ti 0.83333333333333 0.16666666666667 0.83333333333333 47.867 > 1 11 Ti 0.33333333333333 0.66666666666667 0.83333333333333 47.867 > 1 12 Ti 0.83333333333333 0.66666666666667 0.83333333333333 47.867 > 1 13 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 13 14 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 13 15 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 13 16 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 13 17 Cd 0.33333333333333 0.16666666666667 0.33333333333333 112.411 > 13 18 Cd 0.83333333333333 0.16666666666667 0.33333333333333 112.411 > 13 19 Cd 0.33333333333333 0.66666666666667 0.33333333333333 112.411 > 13 20 Cd 0.83333333333333 0.66666666666667 0.33333333333333 112.411 > 13 21 Cd 0.16666666666667 0.33333333333333 0.66666666666667 112.411 > 13 22 Cd 0.66666666666667 0.33333333333333 0.66666666666667 112.411 > 13 23 Cd 0.16666666666667 0.83333333333333 0.66666666666667 112.411 > 13 24 Cd 0.66666666666667 0.83333333333333 0.66666666666667 112.411 > 13 25 F 0.03857110402887 0.35613396593539 0.09067273822793 18.998 > 25 26 F 0.53857110402887 0.35613396593539 0.09067273822793 18.998 > 25 27 F 0.03857110402887 0.85613396593539 0.09067273822793 18.998 > 25 28 F 0.53857110402887 0.85613396593539 0.09067273822793 18.998 > 25 29 F 0.01577047142682 0.20523777069554 0.24266059510540 18.998 > 29 30 F 0.51577047142682 0.20523777069554 0.24266059510540 18.998 > 29 31 F 0.01577047142682 0.70523777069554 0.24266059510540 18.998 > 29 32 F 0.51577047142682 0.70523777069554 0.24266059510540 18.998 > 29 33 F 0.31756286190652 0.46142889597113 0.09067273822793 18.998 > 33 34 F 0.81756286190652 0.46142889597113 0.09067273822793 18.998 > 33 35 F 0.31756286190652 0.96142889597113 0.09067273822793 18.998 > 33 36 F 0.81756286190652 0.96142889597113 0.09067273822793 18.998 > 33 37 F 0.14386603406461 0.18243713809348 0.09067273822793 18.998 > 37 38 F 0.64386603406461 0.18243713809348 0.09067273822793 18.998 > 37 39 F 0.14386603406461 0.68243713809348 0.09067273822793 18.998 > 37 40 F 0.64386603406461 0.68243713809348 0.09067273822793 18.998 > 37 41 F 0.29476222930446 0.31053270073128 0.24266059510540 18.998 > 41 42 F 0.79476222930446 0.31053270073128 0.24266059510540 18.998 > 41 43 F 0.29476222930446 0.81053270073128 0.24266059510540 18.998 > 41 44 F 0.79476222930446 0.81053270073128 0.24266059510540 18.998 > 41 45 F 0.18946729926872 0.48422952857318 0.24266059510540 18.998 > 45 46 F 0.68946729926872 0.48422952857318 0.24266059510540 18.998 > 45 47 F 0.18946729926872 0.98422952857318 0.24266059510540 18.998 > 45 48 F 0.68946729926872 0.98422952857318 0.24266059510540 18.998 > 45 49 F 0.37190443736221 0.02280063260206 0.42400607156126 18.998 > 25 50 F 0.87190443736221 0.02280063260206 0.42400607156126 18.998 > 25 51 F 0.37190443736221 0.52280063260206 0.42400607156126 18.998 > 25 52 F 0.87190443736221 0.52280063260206 0.42400607156126 18.998 > 25 53 F 0.34910380476015 0.37190443736221 0.57599392843874 18.998 > 29 54 F 0.84910380476015 0.37190443736221 0.57599392843874 18.998 > 29 55 F 0.34910380476015 0.87190443736221 0.57599392843874 18.998 > 29 56 F 0.84910380476015 0.87190443736221 0.57599392843874 18.998 > 29 57 F 0.15089619523985 0.12809556263779 0.42400607156126 18.998 > 33 58 F 0.65089619523985 0.12809556263779 0.42400607156126 18.998 > 33 59 F 0.15089619523985 0.62809556263779 0.42400607156126 18.998 > 33 60 F 0.65089619523985 0.62809556263779 0.42400607156126 18.998 > 33 61 F 0.47719936739794 0.34910380476015 0.42400607156126 18.998 > 37 62 F 0.97719936739794 0.34910380476015 0.42400607156126 18.998 > 37 63 F 0.47719936739794 0.84910380476015 0.42400607156126 18.998 > 37 64 F 0.97719936739794 0.84910380476015 0.42400607156126 18.998 > 37 65 F 0.12809556263779 0.47719936739794 0.57599392843874 18.998 > 41 66 F 0.62809556263779 0.47719936739794 0.57599392843874 18.998 > 41 67 F 0.12809556263779 0.97719936739794 0.57599392843874 18.998 > 41 68 F 0.62809556263779 0.97719936739794 0.57599392843874 18.998 > 41 69 F 0.02280063260206 0.15089619523985 0.57599392843874 18.998 > 45 70 F 0.52280063260206 0.15089619523985 0.57599392843874 18.998 > 45 71 F 0.02280063260206 0.65089619523985 0.57599392843874 18.998 > 45 72 F 0.52280063260206 0.65089619523985 0.57599392843874 18.998 > 45 73 F 0.20523777069554 0.18946729926872 0.75733940489460 18.998 > 25 74 F 0.70523777069554 0.18946729926872 0.75733940489460 18.998 > 25 75 F 0.20523777069554 0.68946729926872 0.75733940489460 18.998 > 25 76 F 0.70523777069554 0.68946729926872 0.75733940489460 18.998 > 25 77 F 0.18243713809348 0.03857110402887 0.90932726177207 18.998 > 29 78 F 0.68243713809348 0.03857110402887 0.90932726177207 18.998 > 29 79 F 0.18243713809348 0.53857110402887 0.90932726177207 18.998 > 29 80 F 0.68243713809348 0.53857110402887 0.90932726177207 18.998 > 29 81 F 0.48422952857318 0.29476222930446 0.75733940489460 18.998 > 33 82 F 0.98422952857318 0.29476222930446 0.75733940489460 18.998 > 33 83 F 0.48422952857318 0.79476222930446 0.75733940489460 18.998 > 33 84 F 0.98422952857318 0.79476222930446 0.75733940489460 18.998 > 33 85 F 0.31053270073128 0.01577047142682 0.75733940489460 18.998 > 37 86 F 0.81053270073128 0.01577047142682 0.75733940489460 18.998 > 37 87 F 0.31053270073128 0.51577047142682 0.75733940489460 18.998 > 37 88 F 0.81053270073128 0.51577047142682 0.75733940489460 18.998 > 37 89 F 0.46142889597113 0.14386603406461 0.90932726177207 18.998 > 41 90 F 0.96142889597113 0.14386603406461 0.90932726177207 18.998 > 41 91 F 0.46142889597113 0.64386603406461 0.90932726177207 18.998 > 41 92 F 0.96142889597113 0.64386603406461 0.90932726177207 18.998 > 41 93 F 0.35613396593539 0.31756286190652 0.90932726177207 18.998 > 45 94 F 0.85613396593539 0.31756286190652 0.90932726177207 18.998 > 45 95 F 0.35613396593539 0.81756286190652 0.90932726177207 18.998 > 45 96 F 0.85613396593539 0.81756286190652 0.90932726177207 18.998 > 45 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5334139 -0.0000003 0.0000000 0.0000003 2.5334139 0.0000000 0.0000000 0.0000000 2.5905830 -------------------------- Born effective charges -------------------------- 1 Ti 4.6857041 0.4581975 0.0000000 -0.4581975 4.6857041 0.0000000 0.0000000 -0.0000000 4.7883730 2 Cd 2.6409161 -0.3354587 0.0000000 0.3354587 2.6409161 0.0000000 0.0000000 -0.0000000 2.8191320 3 F -1.6730297 0.3408177 -0.8542219 0.3817307 -0.7691770 0.3152913 -0.8536742 0.2930058 -1.2679175 4 F -1.3080128 -0.5924733 0.7001613 -0.5515603 -1.1341939 0.5821322 0.6805875 0.5928006 -1.2679175 5 F -1.3080128 -0.5924733 0.7001613 -0.5515603 -1.1341939 0.5821322 0.6805875 0.5928006 -1.2679175 6 F -0.6822675 0.1902861 0.1540606 0.2311991 -1.7599392 -0.8974235 0.1730866 -0.8858064 -1.2679175 7 F -1.6730297 0.3408177 -0.8542219 0.3817307 -0.7691770 0.3152913 -0.8536742 0.2930058 -1.2679175 8 F -0.6822675 0.1902861 0.1540606 0.2311991 -1.7599392 -0.8974235 0.1730866 -0.8858064 -1.2679175 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zxy) -0.00000003 (zxy) -0.00000003 (zyx) 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 ... [ 11 11 11 ] 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: 295, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 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 2.373 ( 0.000 0.000 0.000) 0.000 2.373 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 7.771 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 9.133 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 0.000) 0.000 16.201 ( 0.000 0.000 0.000) 0.000 16.201 ( 0.000 0.000 0.000) 0.000 16.377 ( 0.000 0.000 0.000) 0.000 19.059 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 24.467 -14.241 19.327) 34.278 0.552 ( 28.983 10.833 -9.287) 32.305 0.585 ( 9.379 28.269 21.403) 36.676 2.383 ( 1.158 0.192 0.389) 1.237 2.398 ( 1.310 1.567 2.293) 3.070 3.529 ( -0.051 3.636 4.758) 5.988 3.651 ( 3.950 -0.056 2.311) 4.576 3.928 ( -2.846 -1.158 1.788) 3.555 4.668 ( -3.041 -1.861 1.453) 3.850 4.909 ( 2.867 1.070 -0.696) 3.138 5.567 ( 11.357 5.326 -33.791) 36.044 6.185 ( -10.733 -4.343 38.800) 40.491 7.748 ( -1.788 -0.975 -1.056) 2.294 8.236 ( -1.375 -1.424 -0.903) 2.176 8.272 ( 0.389 1.862 0.159) 1.909 9.086 ( -4.143 -2.678 0.515) 4.960 9.445 ( -0.720 -0.137 2.383) 2.493 9.669 ( 0.555 -1.360 -12.534) 12.619 13.728 ( 3.396 5.106 -2.879) 6.775 13.757 ( 5.820 0.108 6.731) 8.898 16.168 ( 0.155 -2.945 -6.288) 6.945 16.311 ( -3.473 -2.313 -1.903) 4.586 19.050 ( -0.667 -0.341 -0.523) 0.913 20.584 ( -4.094 0.288 9.273) 10.141 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 23.085 -10.340 17.700) 30.873 1.041 ( 24.190 8.054 -6.573) 26.329 1.116 ( 8.962 23.585 17.266) 30.573 2.429 ( 3.433 0.619 1.264) 3.711 2.478 ( 2.891 3.150 4.289) 6.056 3.598 ( -0.508 8.558 1.107) 8.644 3.754 ( 4.151 -4.494 2.352) 6.554 3.878 ( 0.171 1.894 0.411) 1.946 4.637 ( -0.953 -0.613 3.794) 3.959 4.943 ( 1.266 0.189 -2.499) 2.807 5.605 ( 6.228 1.550 -10.924) 12.670 6.215 ( -4.188 -0.073 15.515) 16.070 7.681 ( -3.379 -1.605 -2.043) 4.262 8.183 ( -1.889 -1.683 -1.198) 2.799 8.308 ( 0.406 3.714 0.541) 3.775 8.959 ( -7.012 -5.483 2.430) 9.227 9.448 ( 0.583 -2.608 2.481) 3.647 9.552 ( -2.917 -1.521 -12.137) 12.575 13.857 ( 6.619 9.406 -5.108) 12.585 13.952 ( 9.774 0.124 11.782) 15.309 16.071 ( 0.649 -6.374 -11.947) 13.556 16.176 ( -9.387 -4.425 4.050) 11.140 19.021 ( -1.605 -0.636 -1.147) 2.072 20.576 ( -3.566 2.296 4.710) 6.338 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 16.973 -5.987 12.755) 22.060 1.422 ( 17.666 4.075 -2.758) 18.339 1.551 ( 8.098 17.517 11.862) 22.653 2.520 ( 4.953 0.821 1.278) 5.181 2.597 ( 3.496 2.946 5.770) 7.362 3.663 ( -3.794 -4.386 -2.871) 6.471 3.720 ( 1.765 12.940 1.397) 13.134 4.037 ( 10.549 0.758 4.000) 11.307 4.665 ( 0.048 0.778 5.564) 5.618 4.920 ( -0.920 -0.729 -4.512) 4.662 5.661 ( 3.429 0.201 -0.088) 3.436 6.224 ( -2.255 -0.443 3.500) 4.187 7.588 ( -3.950 -1.526 -2.202) 4.773 8.141 ( -0.917 -0.056 -0.694) 1.151 8.364 ( 0.198 5.523 1.384) 5.697 8.792 ( -7.770 -7.184 4.438) 11.475 9.357 ( 0.573 -13.009 -11.551) 17.407 9.483 ( -3.516 6.712 0.682) 7.608 14.060 ( 9.188 12.213 -6.267) 16.518 14.216 ( 11.129 0.119 14.280) 18.105 15.913 ( 1.814 -13.615 -14.349) 19.864 15.976 ( -14.720 -0.526 5.981) 15.898 18.971 ( -2.397 -0.731 -1.596) 2.970 20.570 ( -3.018 2.826 3.052) 5.139 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 8.306 -2.766 6.786) 11.076 1.672 ( 10.482 1.137 -0.716) 10.567 1.879 ( 7.048 11.548 7.271) 15.359 2.584 ( 0.876 0.277 -0.566) 1.079 2.720 ( 4.233 0.913 5.706) 7.163 3.561 ( -1.770 -2.838 -1.198) 3.553 3.940 ( 6.438 14.949 1.547) 16.350 4.236 ( 10.031 -0.654 2.322) 10.317 4.693 ( -2.747 -0.100 5.353) 6.018 4.854 ( -1.302 -1.144 -4.757) 5.062 5.720 ( 0.790 -0.060 7.339) 7.382 6.166 ( -1.807 -2.289 -6.143) 6.800 7.506 ( -2.842 -0.782 -1.198) 3.182 8.155 ( 1.415 2.756 -0.074) 3.099 8.427 ( -1.283 4.640 1.999) 5.212 8.642 ( -5.437 -4.790 5.958) 9.381 9.147 ( -1.544 -11.904 -12.078) 17.028 9.501 ( -1.400 3.713 1.046) 4.104 14.306 ( 9.976 12.363 -6.078) 17.009 14.487 ( 9.538 0.378 13.564) 16.586 15.685 ( -3.402 -16.861 -4.136) 17.691 15.777 ( -10.896 2.526 -3.475) 11.712 18.914 ( -2.248 -0.552 -1.437) 2.724 20.568 ( -2.006 2.205 1.845) 3.506 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 2.139 -0.838 2.092) 3.107 1.789 ( 3.308 0.214 -0.216) 3.322 2.088 ( 3.724 4.554 2.847) 6.535 2.563 ( -1.346 -0.588 -0.822) 1.683 2.805 ( 1.806 0.155 2.097) 2.772 3.531 ( 0.105 -0.935 0.042) 0.942 4.191 ( 5.932 8.063 2.379) 10.288 4.373 ( 4.968 1.832 -1.731) 5.571 4.606 ( -5.400 -4.812 1.702) 7.430 4.828 ( 0.025 0.381 -0.755) 0.846 5.776 ( -0.260 0.231 7.083) 7.092 6.070 ( -0.783 -1.736 -6.994) 7.248 7.466 ( -0.953 -0.184 -0.269) 1.007 8.239 ( 4.098 5.001 -0.316) 6.473 8.368 ( -5.482 -4.546 1.251) 7.231 8.658 ( 0.387 4.653 5.840) 7.477 8.946 ( -1.558 -8.287 -8.061) 11.665 9.515 ( -0.393 1.269 0.363) 1.377 14.514 ( 5.580 6.347 -3.205) 9.038 14.682 ( 3.998 0.638 6.807) 7.920 15.475 ( -3.144 -8.546 -0.368) 9.113 15.634 ( -4.577 0.924 -3.275) 5.703 18.876 ( -0.923 -0.200 -0.579) 1.108 20.569 ( -0.701 0.822 0.627) 1.249 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( -12.585 12.062 6.178) 18.494 0.383 ( -5.412 8.608 15.516) 18.551 0.867 ( 5.650 26.725 20.401) 34.093 2.392 ( -0.699 0.584 2.297) 2.471 2.485 ( 1.272 6.790 6.832) 9.716 3.528 ( 2.766 -2.959 4.865) 6.331 3.634 ( -0.879 1.605 0.361) 1.866 3.948 ( 0.502 -4.393 1.372) 4.629 4.683 ( -0.275 -3.417 3.070) 4.602 4.931 ( -1.018 3.991 1.729) 4.467 5.401 ( -0.523 21.001 -24.497) 32.271 6.351 ( 1.643 -24.172 27.885) 36.940 7.740 ( 0.131 -2.372 -1.306) 2.711 8.252 ( 2.365 -0.655 0.174) 2.460 8.263 ( -1.143 1.112 -0.367) 1.636 9.062 ( 0.060 -7.939 -2.143) 8.224 9.371 ( -1.289 -0.987 -4.811) 5.077 9.677 ( -1.033 7.099 -7.577) 10.434 13.669 ( 0.820 -0.447 -1.350) 1.642 13.848 ( -0.985 10.579 8.740) 13.758 16.245 ( -4.958 3.340 1.381) 6.135 16.351 ( 0.578 5.727 -3.947) 6.979 19.044 ( 0.085 -0.896 -1.115) 1.433 20.518 ( 3.523 -16.756 4.083) 17.602 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 14.317 -2.159 17.188) 22.473 0.714 ( 19.560 9.633 1.555) 21.859 1.311 ( 6.098 20.179 15.798) 26.343 2.416 ( 0.779 0.843 3.304) 3.498 2.595 ( -2.810 9.784 8.699) 13.390 3.611 ( 5.958 -2.837 3.594) 7.514 3.686 ( 2.786 4.680 -0.853) 5.513 3.896 ( -1.474 -2.970 -0.765) 3.403 4.668 ( -0.481 -1.511 4.408) 4.685 4.950 ( -2.016 3.334 0.554) 3.935 5.493 ( 4.974 10.397 -11.833) 16.519 6.287 ( -0.757 -14.736 13.104) 19.734 7.692 ( -1.573 -2.933 -1.780) 3.774 8.225 ( -3.645 0.973 0.121) 3.775 8.311 ( 3.270 1.415 1.180) 3.753 8.952 ( 0.373 -11.008 -4.187) 11.783 9.310 ( -1.333 -3.460 -4.426) 5.774 9.655 ( -4.453 6.693 -3.516) 8.775 13.724 ( 6.936 0.102 -1.649) 7.130 14.040 ( 1.606 13.829 11.850) 18.282 16.085 ( -13.402 3.806 -5.146) 14.852 16.342 ( -5.863 1.288 4.122) 7.282 19.021 ( -0.540 -1.418 -1.742) 2.310 20.492 ( 8.693 -14.178 -1.767) 16.725 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 20.558 -5.463 17.367) 27.461 1.133 ( 19.841 7.257 -2.364) 21.259 1.659 ( 5.832 13.804 10.905) 18.534 2.480 ( 2.912 1.431 3.446) 4.733 2.698 ( -2.571 9.426 8.035) 12.650 3.630 ( -0.303 -6.239 -2.338) 6.670 3.799 ( 3.220 10.394 -1.720) 11.017 3.908 ( 6.429 -2.754 3.542) 7.840 4.706 ( 1.579 0.743 5.226) 5.510 4.925 ( -3.621 1.104 -0.821) 3.873 5.606 ( 5.481 5.470 -3.719) 8.590 6.203 ( -0.246 -12.031 2.245) 12.241 7.615 ( -2.748 -2.781 -1.663) 4.249 8.181 ( -2.978 1.606 0.793) 3.475 8.397 ( 3.033 3.213 1.364) 4.625 8.815 ( -1.550 -10.234 -2.302) 10.604 9.193 ( -3.670 -5.497 -5.109) 8.353 9.626 ( -4.811 6.602 -0.983) 8.228 13.875 ( 11.843 0.833 -2.226) 12.079 14.303 ( 2.694 15.209 13.663) 20.622 15.853 ( -11.397 0.252 -6.554) 13.149 16.239 ( -11.344 0.606 6.063) 12.877 18.976 ( -1.196 -1.879 -2.371) 3.254 20.485 ( 8.016 -12.085 -4.900) 15.307 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 14.647 -3.465 11.981) 19.238 1.468 ( 15.045 3.529 -1.030) 15.488 1.919 ( 5.396 8.998 6.870) 12.541 2.569 ( 2.971 1.174 2.804) 4.251 2.782 ( -2.549 7.324 5.768) 9.664 3.525 ( -0.836 -5.353 -4.353) 6.950 3.968 ( 5.433 10.252 -1.014) 11.647 4.052 ( 10.747 -3.162 2.930) 11.579 4.782 ( 2.487 0.913 2.521) 3.657 4.834 ( -6.519 -1.531 0.187) 6.699 5.737 ( 5.163 3.788 2.875) 7.019 6.068 ( -0.589 -11.264 -6.486) 13.012 7.535 ( -2.687 -2.115 -0.915) 3.539 8.177 ( -0.610 3.020 0.706) 3.161 8.460 ( 1.759 -1.071 -2.703) 3.398 8.709 ( -2.625 -3.870 6.019) 7.622 9.032 ( -4.945 -4.022 -6.138) 8.849 9.606 ( -4.350 5.265 0.333) 6.837 14.097 ( 14.868 1.191 -2.559) 15.134 14.568 ( 1.550 13.020 11.817) 17.651 15.650 ( -8.678 0.415 -2.369) 9.005 16.059 ( -15.004 0.928 5.174) 15.898 18.919 ( -1.304 -2.085 -2.592) 3.573 20.463 ( 7.580 -11.568 -7.209) 15.597 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 6.058 -1.198 5.609) 8.343 1.689 ( 8.969 0.795 0.605) 9.025 2.089 ( 3.074 3.421 3.079) 5.535 2.607 ( -1.598 0.618 2.582) 3.099 2.832 ( -1.546 5.710 1.168) 6.029 3.479 ( 2.911 -3.202 -2.539) 5.017 4.121 ( 7.127 -2.809 1.722) 7.851 4.240 ( 10.232 4.421 -3.408) 11.656 4.672 ( -6.209 -5.254 -2.023) 8.381 4.837 ( -0.625 1.164 3.510) 3.750 5.857 ( -3.589 2.502 2.824) 5.208 5.929 ( 7.165 -7.360 -6.512) 12.162 7.478 ( -1.532 -1.459 -0.286) 2.135 8.227 ( 2.170 4.369 -0.829) 4.949 8.381 ( -1.721 -6.848 -4.849) 8.566 8.699 ( -3.015 -5.696 7.083) 9.576 8.941 ( -1.997 7.902 -0.791) 8.189 9.582 ( -3.921 3.302 0.666) 5.170 14.347 ( 14.972 1.022 -2.246) 15.174 14.693 ( -2.605 2.311 2.576) 4.331 15.597 ( -5.628 10.010 10.815) 15.775 15.834 ( -15.292 1.883 1.509) 15.481 18.868 ( -0.381 -1.939 -2.049) 2.847 20.426 ( 7.990 -12.099 -9.005) 17.068 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.511 0.538 0.582) 0.943 1.795 ( 2.761 -0.361 1.452) 3.140 2.084 ( -3.510 -5.792 -2.690) 7.287 2.602 ( -1.850 1.785 4.578) 5.250 2.845 ( -2.438 4.967 -4.000) 6.827 3.503 ( 2.984 -0.880 -1.691) 3.541 4.114 ( -0.013 -11.720 -6.412) 13.360 4.364 ( 3.899 -4.183 2.805) 6.369 4.599 ( 0.700 4.747 -0.183) 4.802 4.834 ( -1.165 -0.778 1.162) 1.820 5.744 ( -1.930 0.294 -11.142) 11.311 6.050 ( 5.617 -1.420 7.407) 9.403 7.454 ( 0.197 -0.913 0.277) 0.974 8.244 ( -1.848 -4.957 -3.352) 6.263 8.328 ( 2.819 4.845 -1.543) 5.814 8.582 ( -2.429 -7.739 -1.019) 8.175 9.082 ( 1.281 12.386 8.380) 15.009 9.546 ( -3.506 1.403 0.318) 3.790 14.530 ( -0.681 -4.902 4.292) 6.551 14.600 ( 3.705 -1.827 -10.240) 11.042 15.612 ( -10.908 0.328 4.279) 11.722 15.793 ( -3.309 21.649 13.895) 25.936 18.850 ( 1.349 -1.458 -0.827) 2.152 20.385 ( 8.898 -12.826 -9.959) 18.516 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -3.505 1.978 -3.578) 5.386 1.789 ( -4.156 -1.370 -0.028) 4.376 1.842 ( -8.563 -13.503 -6.633) 17.310 2.630 ( -1.576 1.432 5.118) 5.543 2.787 ( -5.646 4.131 -6.726) 9.705 3.535 ( 2.935 0.454 -1.820) 3.483 3.875 ( -5.508 -14.110 -5.794) 16.217 4.345 ( -4.272 -4.574 3.346) 7.098 4.669 ( 0.304 4.531 -2.064) 4.989 4.839 ( 2.609 -1.405 2.758) 4.048 5.690 ( 0.679 4.177 -9.429) 10.335 6.139 ( 3.212 -4.210 4.310) 6.827 7.475 ( 2.324 -0.074 1.504) 2.769 8.164 ( -1.856 -2.406 0.789) 3.139 8.367 ( -0.475 -1.050 -3.061) 3.270 8.550 ( 5.575 1.851 -4.061) 7.141 9.274 ( 2.378 6.813 9.432) 11.875 9.506 ( -2.800 2.540 0.147) 3.784 14.317 ( -8.302 -11.380 -1.045) 14.125 14.616 ( -4.755 2.779 -5.044) 7.468 15.551 ( 4.312 -0.583 -1.924) 4.758 16.056 ( -5.315 23.674 18.262) 30.367 18.875 ( 2.965 -0.730 0.521) 3.097 20.354 ( 9.739 -12.765 -9.539) 18.676 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -8.428 2.206 -8.862) 12.427 1.429 ( -11.676 -17.906 -13.167) 25.106 1.673 ( -11.664 -1.876 3.401) 12.293 2.607 ( -5.276 -0.123 1.561) 5.504 2.664 ( -7.345 2.486 -4.509) 8.970 3.585 ( 3.388 -3.617 -2.996) 5.792 3.676 ( -1.498 -3.900 1.199) 4.347 4.178 ( -10.566 -4.616 -0.073) 11.531 4.664 ( -2.260 2.530 -2.746) 4.365 4.911 ( 3.736 -0.977 3.694) 5.344 5.711 ( 0.191 5.632 -2.490) 6.161 6.126 ( 1.595 -7.205 -2.935) 7.942 7.547 ( 4.027 0.784 2.489) 4.798 8.149 ( -0.160 -0.215 3.357) 3.368 8.316 ( -0.531 -1.897 -2.504) 3.185 8.686 ( 8.392 5.557 -5.228) 11.342 9.355 ( 2.356 -5.720 2.302) 6.601 9.554 ( -0.779 9.800 4.988) 11.024 14.069 ( -7.718 -10.200 -0.492) 12.801 14.434 ( -14.785 2.834 -4.663) 15.760 15.695 ( 13.896 -0.652 -3.629) 14.377 16.274 ( -7.135 19.897 15.284) 26.084 18.934 ( 3.467 -0.029 1.256) 3.688 20.349 ( 9.810 -10.875 -7.179) 16.311 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -11.271 -23.406 -17.837) 31.512 1.139 ( -17.122 9.400 -11.657) 22.746 1.411 ( -19.970 -4.166 7.012) 21.572 2.493 ( -5.936 1.568 -4.425) 7.568 2.553 ( -6.726 -1.325 3.202) 7.566 3.529 ( -0.385 -2.827 -0.106) 2.855 3.769 ( 5.558 3.026 2.326) 6.742 3.937 ( -10.913 -5.327 -1.477) 12.233 4.630 ( -1.716 1.316 -1.842) 2.841 4.965 ( 0.902 0.053 1.345) 1.621 5.762 ( -2.056 4.743 6.984) 8.689 6.035 ( 1.362 -7.071 -9.996) 12.320 7.641 ( 4.222 0.759 1.782) 4.645 8.184 ( 1.563 -0.581 3.326) 3.721 8.290 ( -0.881 1.105 -0.960) 1.708 8.849 ( 8.848 3.446 -3.449) 10.102 9.343 ( 3.508 -4.972 -1.689) 6.315 9.665 ( 0.238 5.684 4.480) 7.241 13.870 ( -6.249 -6.243 0.691) 8.860 14.164 ( -15.872 1.860 -4.046) 16.484 15.912 ( 14.182 0.117 -3.506) 14.609 16.383 ( -6.833 11.094 8.020) 15.300 18.996 ( 2.701 0.226 0.995) 2.887 20.385 ( 8.318 -6.366 -2.599) 10.792 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -12.949 -14.790 -13.154) 23.652 0.844 ( -22.223 15.586 -13.151) 30.162 1.026 ( -26.817 -6.877 13.240) 30.688 2.412 ( -2.973 2.182 -3.265) 4.925 2.457 ( -4.952 -2.663 3.927) 6.858 3.531 ( -1.597 3.423 3.488) 5.141 3.716 ( -7.378 -3.846 -1.462) 8.447 3.887 ( 3.638 0.719 0.947) 3.827 4.626 ( 1.464 0.188 -0.273) 1.501 4.956 ( -2.217 0.265 -0.875) 2.398 5.786 ( -1.362 -1.994 -4.997) 5.550 5.967 ( -0.256 1.612 5.884) 6.106 7.715 ( 3.209 -0.008 0.181) 3.214 8.216 ( 2.136 -2.037 0.787) 3.054 8.289 ( -1.736 2.607 0.826) 3.239 8.993 ( 7.864 -0.884 -0.148) 7.915 9.374 ( 3.969 0.944 -1.776) 4.449 9.712 ( 0.750 -0.482 -0.912) 1.276 13.758 ( -4.401 -0.019 2.186) 4.914 13.910 ( -12.629 0.162 -2.377) 12.852 16.103 ( 9.661 1.435 -3.531) 10.385 16.361 ( -3.269 -1.812 -1.524) 4.036 19.036 ( 1.505 -0.003 0.188) 1.517 20.472 ( 5.076 0.192 4.068) 6.508 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -22.410 -0.642 18.773) 29.241 0.838 ( -20.722 16.310 -2.192) 26.462 1.158 ( 2.318 21.463 17.900) 28.044 2.444 ( -1.976 1.838 3.291) 4.256 2.553 ( 3.750 8.665 8.882) 12.962 3.504 ( -0.580 -2.175 0.471) 2.300 3.744 ( -8.717 2.418 2.099) 9.286 3.859 ( 4.030 -4.467 -2.644) 6.571 4.680 ( 0.552 -1.015 5.180) 5.307 4.970 ( 2.205 3.737 0.276) 4.348 5.511 ( -6.137 10.718 -12.924) 17.877 6.247 ( 1.400 -15.329 14.101) 20.876 7.681 ( 1.905 -3.446 -2.547) 4.690 8.203 ( 2.131 -1.422 -0.476) 2.606 8.284 ( 0.026 2.149 0.172) 2.156 8.972 ( -1.207 -9.408 -1.840) 9.662 9.373 ( -1.005 -1.398 -2.120) 2.731 9.661 ( 5.122 6.170 -5.124) 9.516 13.689 ( -5.249 -0.589 -2.064) 5.671 14.078 ( -3.179 14.692 12.076) 19.281 16.237 ( 10.974 6.910 1.448) 13.049 16.330 ( 6.166 2.883 0.652) 6.838 19.013 ( 0.784 -2.018 -2.164) 3.061 20.381 ( -7.250 -18.004 -3.985) 19.814 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -12.393 10.939 3.727) 16.945 0.712 ( -6.110 6.432 12.721) 15.509 1.499 ( 4.005 15.789 13.969) 21.459 2.457 ( -1.249 1.672 4.408) 4.877 2.780 ( 1.744 10.281 11.458) 15.493 3.521 ( 3.068 -1.109 -0.419) 3.289 3.679 ( -0.436 2.494 0.072) 2.533 3.838 ( 1.781 -5.917 -2.992) 6.866 4.697 ( -1.009 -0.195 4.423) 4.541 5.042 ( -0.837 4.257 2.797) 5.162 5.462 ( 0.212 6.541 -12.311) 13.942 6.180 ( 0.897 -16.159 9.006) 18.521 7.648 ( 0.744 -4.269 -2.828) 5.175 8.240 ( 3.127 -0.774 -0.076) 3.222 8.310 ( -0.739 3.082 0.825) 3.275 8.805 ( -2.155 -10.534 -2.816) 11.115 9.356 ( -2.624 3.131 -2.176) 4.629 9.727 ( 0.101 4.213 -2.202) 4.755 13.643 ( 1.339 -0.135 -1.404) 1.945 14.285 ( -1.497 18.474 14.620) 23.607 16.350 ( -8.260 5.940 0.492) 10.185 16.433 ( 0.450 3.973 1.613) 4.312 18.985 ( 0.737 -2.916 -2.957) 4.218 20.116 ( 6.183 -22.379 -7.365) 24.358 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 7.428 3.433 11.621) 14.213 0.920 ( 12.940 7.270 4.170) 15.417 1.767 ( 3.605 10.632 10.114) 15.111 2.495 ( 0.305 1.983 4.571) 4.992 2.921 ( -4.303 10.011 9.919) 14.734 3.533 ( 2.104 -6.318 -1.859) 6.914 3.779 ( 6.521 6.887 -3.921) 10.263 3.798 ( 3.524 -6.415 -0.007) 7.319 4.712 ( 0.045 0.710 2.258) 2.368 5.047 ( -5.403 3.714 3.646) 7.502 5.482 ( 7.792 -2.101 -9.934) 12.799 6.091 ( -0.509 -11.342 4.325) 12.149 7.592 ( -0.239 -4.262 -2.666) 5.033 8.250 ( -1.164 0.325 -0.873) 1.491 8.341 ( 2.368 -1.126 -0.692) 2.712 8.712 ( 0.512 -4.105 1.985) 4.589 9.290 ( -7.506 3.316 -1.664) 8.373 9.736 ( -2.380 4.176 -0.649) 4.850 13.709 ( 7.128 0.040 -0.670) 7.159 14.558 ( -0.852 20.768 16.045) 26.257 16.150 ( -19.235 7.732 -3.306) 20.993 16.432 ( -6.010 1.072 5.690) 8.345 18.942 ( 0.217 -3.437 -3.526) 4.928 20.038 ( 15.969 -23.717 -10.791) 30.560 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 16.678 -1.648 14.228) 21.984 1.253 ( 15.651 6.782 -0.267) 17.059 1.961 ( 3.612 6.424 6.266) 9.674 2.560 ( 1.841 1.877 3.621) 4.475 2.981 ( -5.670 9.147 7.283) 12.995 3.431 ( -0.449 -8.836 -7.087) 11.336 3.841 ( 8.317 -8.883 3.892) 12.776 3.953 ( 7.414 9.359 -5.456) 13.127 4.724 ( 0.979 -1.226 -3.274) 3.630 4.994 ( -7.172 2.155 5.725) 9.426 5.547 ( 12.625 -8.934 -7.251) 17.081 6.007 ( -3.203 -3.385 2.377) 5.231 7.530 ( -0.793 -3.556 -1.963) 4.138 8.230 ( -1.086 1.206 -0.264) 1.644 8.320 ( 2.500 -6.874 -6.155) 9.560 8.764 ( 0.401 2.387 10.319) 10.599 9.164 ( -10.064 5.299 -2.298) 11.604 9.724 ( -3.643 3.902 0.415) 5.354 13.865 ( 11.694 -0.153 -0.231) 11.697 14.819 ( -4.055 18.339 13.613) 23.197 15.916 ( -15.155 10.599 0.275) 18.496 16.328 ( -11.583 0.127 6.321) 13.196 18.883 ( -0.164 -3.652 -3.826) 5.292 20.010 ( 16.926 -23.694 -13.992) 32.306 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 11.778 -1.815 9.342) 15.142 1.540 ( 11.596 4.369 0.561) 12.405 2.082 ( 2.586 1.139 1.695) 3.295 2.628 ( 1.672 1.110 2.854) 3.489 2.988 ( -7.151 7.107 2.009) 10.280 3.338 ( 5.057 -6.454 -5.531) 9.890 3.917 ( 9.092 -11.503 3.072) 14.981 4.121 ( 7.447 6.668 -6.857) 12.122 4.661 ( -1.289 -2.813 -5.919) 6.679 4.944 ( -5.802 1.427 6.733) 9.002 5.619 ( 12.253 -11.748 -6.764) 18.273 5.971 ( -3.143 4.180 3.533) 6.311 7.476 ( -0.807 -2.603 -1.038) 2.916 8.239 ( 0.373 -4.429 -6.260) 7.677 8.244 ( 2.492 -0.487 -1.264) 2.837 8.798 ( -6.739 -3.977 10.483) 13.081 9.107 ( -4.224 14.034 0.205) 14.658 9.693 ( -4.555 2.854 0.992) 5.467 14.083 ( 14.642 -0.496 -0.374) 14.655 14.872 ( -11.477 6.703 4.221) 13.946 15.933 ( -5.818 22.212 10.771) 25.362 16.134 ( -15.688 -0.932 6.587) 17.040 18.825 ( 0.329 -3.443 -3.392) 4.844 19.964 ( 16.444 -23.323 -16.342) 32.885 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 4.202 -0.239 3.357) 5.384 1.726 ( 6.447 1.354 1.567) 6.772 2.049 ( -2.579 -8.075 -4.065) 9.401 2.669 ( -0.183 0.747 4.315) 4.383 2.931 ( -4.433 5.568 -5.142) 8.780 3.394 ( 6.559 -1.185 -1.503) 6.833 3.923 ( 4.162 -12.231 -3.415) 13.364 4.227 ( 7.351 -3.433 -1.560) 8.261 4.636 ( 1.086 5.062 -1.583) 5.414 4.892 ( -5.283 -0.487 3.787) 6.519 5.631 ( 5.756 -5.701 -8.370) 11.649 6.024 ( 1.446 2.197 4.663) 5.354 7.443 ( -0.108 -1.771 -0.046) 1.775 8.170 ( 1.495 -4.157 -4.697) 6.448 8.305 ( 3.734 3.406 -1.912) 5.404 8.637 ( -10.187 -5.405 4.360) 12.328 9.244 ( -0.247 13.400 5.659) 14.548 9.640 ( -4.933 1.479 1.019) 5.249 14.329 ( 15.353 -0.293 -1.500) 15.428 14.678 ( -13.917 -1.605 -0.374) 14.015 15.874 ( -16.873 0.222 1.380) 16.931 16.216 ( -3.907 26.665 20.497) 33.859 18.794 ( 1.771 -2.690 -1.996) 3.789 19.913 ( 16.687 -21.967 -16.719) 32.257 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -1.274 0.211 -2.364) 2.694 1.751 ( -3.596 -11.196 -8.811) 14.694 1.853 ( -2.908 -3.764 2.639) 5.439 2.698 ( -0.792 0.492 4.600) 4.693 2.881 ( -4.365 4.942 -5.372) 8.505 3.464 ( 3.505 0.578 -2.733) 4.482 3.791 ( -2.285 -8.800 -5.452) 10.601 4.312 ( 5.816 -6.509 5.684) 10.416 4.721 ( 0.149 6.369 0.490) 6.389 4.819 ( -2.467 -1.727 0.836) 3.125 5.633 ( 3.926 2.152 -8.384) 9.505 6.074 ( 1.603 -3.547 2.550) 4.654 7.446 ( 1.723 -0.828 1.156) 2.234 8.157 ( 1.479 -0.558 -0.307) 1.611 8.393 ( 0.668 5.016 -3.400) 6.096 8.464 ( -2.414 -4.716 0.441) 5.316 9.362 ( -1.920 4.356 4.385) 6.472 9.598 ( -2.564 3.947 2.062) 5.139 14.407 ( -12.225 -2.740 -3.984) 13.146 14.555 ( 9.860 -0.693 0.908) 9.926 15.617 ( -12.493 -0.734 -0.323) 12.518 16.510 ( -6.288 23.459 17.843) 30.137 18.811 ( 3.458 -1.369 -0.010) 3.719 19.903 ( 17.065 -17.646 -13.335) 27.936 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -9.555 -16.177 -14.188) 23.543 1.522 ( -7.031 1.913 -3.789) 8.213 1.825 ( -5.116 -0.339 4.460) 6.795 2.689 ( -3.259 0.033 0.285) 3.271 2.793 ( -7.200 1.431 -1.050) 7.416 3.501 ( 2.623 0.818 -3.140) 4.172 3.677 ( -1.500 -1.399 -0.320) 2.076 4.290 ( -6.309 -5.995 4.663) 9.873 4.737 ( -3.058 4.417 -0.924) 5.452 4.831 ( 4.641 -2.435 1.630) 5.489 5.710 ( 4.754 6.169 -4.041) 8.774 6.032 ( -0.671 -6.862 -1.242) 7.006 7.499 ( 3.758 -0.046 1.700) 4.125 8.186 ( -0.855 0.083 5.184) 5.254 8.318 ( -2.432 0.806 -2.436) 3.535 8.556 ( 8.311 3.535 -5.006) 10.326 9.315 ( -2.823 -4.580 -0.193) 5.383 9.659 ( 0.123 5.587 3.362) 6.522 14.161 ( -11.381 -2.505 -0.888) 11.687 14.615 ( -4.556 0.915 -1.552) 4.900 15.508 ( 3.016 -0.914 -2.050) 3.760 16.648 ( -8.373 11.818 8.785) 16.939 18.875 ( 4.177 -0.167 1.295) 4.376 19.989 ( 15.904 -8.999 -5.151) 18.986 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -13.422 -10.722 -10.471) 20.118 1.397 ( -10.741 7.637 -5.886) 14.434 1.703 ( -12.883 -1.046 5.860) 14.192 2.589 ( -6.658 2.051 -5.659) 8.975 2.675 ( -7.131 -3.830 5.623) 9.856 3.536 ( 1.472 3.400 -0.751) 3.780 3.728 ( 3.718 3.479 3.347) 6.093 4.080 ( -12.606 -6.284 2.145) 14.248 4.694 ( -4.571 1.843 -0.739) 4.984 4.917 ( 5.188 -0.320 -0.156) 5.201 5.801 ( 1.282 -2.348 0.213) 2.684 5.962 ( 0.411 1.891 -1.214) 2.284 7.578 ( 4.516 -0.148 0.704) 4.573 8.175 ( -1.005 -2.427 3.092) 4.057 8.339 ( -0.215 5.289 1.205) 5.429 8.695 ( 8.773 0.592 -3.518) 9.470 9.244 ( 1.748 -3.042 -3.628) 5.047 9.708 ( -0.186 0.652 1.042) 1.243 13.982 ( -9.135 0.975 1.686) 9.340 14.424 ( -15.343 0.234 -2.105) 15.489 15.651 ( 13.997 0.625 -2.902) 14.308 16.567 ( -8.028 -3.034 -2.997) 9.091 18.950 ( 3.603 -0.024 0.937) 3.723 20.190 ( 12.323 0.921 4.752) 13.240 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -11.707 12.569 5.986) 18.189 1.232 ( -15.393 12.693 -7.407) 21.282 1.452 ( -20.478 -3.008 10.331) 23.133 2.478 ( -4.916 2.463 -3.942) 6.766 2.555 ( -6.686 -3.873 6.044) 9.810 3.623 ( 2.204 6.810 2.167) 7.478 3.815 ( -10.261 -5.948 0.683) 11.881 3.850 ( 1.275 2.865 3.154) 4.448 4.637 ( -2.433 -0.264 0.914) 2.613 4.963 ( 0.827 0.628 -2.558) 2.760 5.712 ( -1.870 -4.603 -6.343) 8.058 6.077 ( 1.943 6.023 9.975) 11.813 7.646 ( 4.083 -0.970 -0.910) 4.294 8.167 ( 1.208 -1.883 0.457) 2.283 8.365 ( -3.239 2.397 1.575) 4.327 8.820 ( 9.676 -4.127 1.553) 10.633 9.299 ( 6.688 5.391 -5.237) 10.061 9.668 ( -1.231 -5.284 -3.049) 6.223 13.905 ( -6.538 6.663 3.989) 10.151 14.135 ( -16.049 -1.616 -1.054) 16.165 15.894 ( 14.422 3.042 -4.013) 15.276 16.321 ( -5.326 -12.945 -9.475) 16.903 19.001 ( 2.430 -0.435 -0.115) 2.472 20.443 ( 7.378 4.833 9.743) 13.142 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -16.440 6.321 4.486) 18.176 1.286 ( -18.248 5.180 9.001) 20.996 1.424 ( -2.325 14.393 11.512) 18.577 2.529 ( -2.376 2.798 3.417) 5.015 2.666 ( 0.698 9.980 9.465) 13.772 3.522 ( -5.588 -2.721 -1.418) 6.375 3.712 ( 4.920 -4.576 -3.107) 7.402 3.965 ( -11.244 3.203 2.437) 11.942 4.715 ( 0.160 1.319 6.319) 6.458 4.931 ( 3.886 0.672 -2.305) 4.568 5.629 ( -5.922 4.953 -5.552) 9.510 6.186 ( -0.796 -10.079 4.669) 11.137 7.587 ( 2.501 -4.025 -3.098) 5.661 8.151 ( 2.037 -0.908 -0.467) 2.278 8.315 ( -1.328 1.115 1.615) 2.370 8.887 ( 2.444 -6.309 1.067) 6.850 9.339 ( 0.864 -2.011 -3.732) 4.326 9.584 ( 7.481 6.093 -2.463) 9.958 13.808 ( -11.082 -0.212 -2.692) 11.406 14.369 ( -2.978 16.488 13.977) 21.819 16.079 ( 14.874 4.392 1.757) 15.608 16.209 ( 12.226 3.340 0.668) 12.691 18.954 ( 0.896 -3.311 -3.237) 4.717 20.339 ( -11.810 -17.342 -6.871) 22.078 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -18.368 1.595 12.186) 22.101 1.091 ( -18.696 10.440 0.515) 21.420 1.643 ( 3.570 10.356 10.602) 15.244 2.540 ( -2.356 2.558 4.818) 5.942 2.892 ( 4.463 10.116 12.468) 16.665 3.462 ( 1.345 0.237 -4.940) 5.125 3.702 ( 3.189 -7.342 -3.193) 8.618 3.802 ( -10.288 0.962 1.792) 10.488 4.752 ( -1.257 1.858 3.478) 4.139 5.027 ( 6.662 0.701 -0.492) 6.717 5.467 ( -7.772 -3.011 -9.296) 12.485 6.118 ( -0.882 -7.165 6.286) 9.572 7.558 ( 1.886 -4.836 -3.803) 6.435 8.184 ( 2.461 -0.769 0.251) 2.590 8.329 ( 0.499 1.083 -1.128) 1.642 8.803 ( -4.480 -4.011 3.252) 6.836 9.378 ( 2.402 3.225 -1.320) 4.233 9.713 ( 4.085 3.522 -1.828) 5.695 13.663 ( -4.729 0.491 -1.578) 5.009 14.607 ( -1.682 20.899 16.206) 26.499 16.400 ( 8.492 -1.880 12.651) 15.352 16.421 ( 8.818 12.296 -7.429) 16.857 18.900 ( 1.149 -5.441 -4.997) 7.477 19.858 ( -9.999 -24.481 -11.744) 28.934 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -10.662 9.054 1.826) 14.106 0.947 ( -5.921 3.655 8.740) 11.172 1.851 ( 3.908 6.560 7.981) 11.046 2.563 ( -1.743 2.679 5.228) 6.128 3.110 ( 1.048 6.390 12.751) 14.301 3.434 ( 0.354 -4.691 -8.024) 9.302 3.667 ( 3.183 -5.603 -2.291) 6.839 3.724 ( 0.544 2.475 -1.275) 2.837 4.747 ( -1.988 0.949 -1.919) 2.921 5.130 ( 7.031 -2.598 -1.398) 7.625 5.256 ( -4.302 -7.245 -4.871) 9.732 6.092 ( -2.109 -1.749 6.084) 6.672 7.513 ( 1.519 -4.931 -3.946) 6.496 8.188 ( 1.169 -4.266 -2.217) 4.948 8.330 ( 0.399 0.654 -2.817) 2.919 8.780 ( -2.843 3.825 10.004) 11.081 9.410 ( -2.641 4.782 -1.507) 5.667 9.776 ( 1.084 2.683 -0.590) 2.953 13.636 ( 1.417 0.615 -0.457) 1.611 14.916 ( -1.484 24.753 18.245) 30.786 16.473 ( -8.710 7.326 -1.761) 11.517 16.531 ( -1.280 1.758 4.616) 5.103 18.840 ( 3.284 -6.925 -5.886) 9.664 19.490 ( 6.308 -27.483 -13.392) 31.216 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 5.235 4.497 8.865) 11.235 1.090 ( 10.907 5.836 2.435) 12.608 1.990 ( 2.718 2.329 4.356) 5.638 2.598 ( -0.811 2.656 4.223) 5.054 3.202 ( -3.612 5.009 8.043) 10.140 3.285 ( -1.615 -11.557 -8.265) 14.299 3.656 ( 4.552 -6.666 0.079) 8.073 3.850 ( 8.912 6.077 -5.132) 11.945 4.675 ( -0.468 -3.426 -9.064) 9.701 5.143 ( 0.147 -6.595 1.240) 6.713 5.202 ( 4.912 -2.668 0.642) 5.626 6.085 ( -3.138 1.817 5.255) 6.385 7.468 ( 1.360 -4.325 -3.448) 5.696 8.134 ( 1.796 -6.423 -4.000) 7.777 8.313 ( -1.944 1.675 -2.204) 3.382 8.881 ( -0.783 5.382 13.134) 14.215 9.366 ( -7.460 7.251 -2.206) 10.635 9.800 ( -1.198 2.520 0.728) 2.884 13.710 ( 6.776 0.118 0.509) 6.796 15.224 ( -6.710 24.907 17.226) 31.018 16.289 ( -15.933 10.022 -1.138) 18.857 16.516 ( -6.082 0.070 5.491) 8.194 18.796 ( 2.755 -5.885 -5.289) 8.378 19.332 ( 17.813 -30.088 -16.599) 38.705 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 12.420 0.228 10.529) 16.284 1.384 ( 14.183 6.647 0.023) 15.663 2.036 ( 1.919 -3.534 -1.466) 4.280 2.639 ( 0.267 2.020 2.783) 3.449 3.072 ( -0.185 -12.694 -11.088) 16.856 3.251 ( -3.025 7.035 7.385) 10.639 3.686 ( 7.042 -8.761 0.694) 11.262 4.008 ( 7.123 3.608 -5.960) 9.963 4.588 ( 2.237 -2.619 -9.524) 10.128 5.102 ( -4.808 0.287 5.192) 7.082 5.280 ( 10.113 -7.733 0.105) 12.731 6.086 ( -3.432 3.608 3.834) 6.285 7.434 ( 1.225 -3.270 -2.433) 4.256 8.088 ( 2.752 -5.615 -3.725) 7.279 8.280 ( -2.148 2.053 -1.897) 3.525 8.951 ( -5.412 -0.623 11.405) 12.639 9.326 ( -5.743 13.093 -1.115) 14.341 9.791 ( -3.340 1.820 1.550) 4.107 13.862 ( 10.989 -0.674 0.851) 11.043 15.265 ( -19.994 12.829 6.378) 24.597 16.305 ( -4.007 23.611 6.812) 24.898 16.401 ( -10.964 -1.728 9.926) 14.891 18.749 ( 1.428 -4.347 -4.202) 6.213 19.254 ( 21.591 -30.868 -19.930) 42.617 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 8.767 -0.837 6.575) 10.990 1.635 ( 8.182 3.191 -0.172) 8.784 1.952 ( -0.296 -9.970 -6.923) 12.141 2.681 ( 1.157 1.079 1.649) 2.285 2.939 ( 1.681 -4.253 -7.284) 8.601 3.343 ( 1.040 6.195 4.921) 7.980 3.717 ( 6.377 -8.805 -0.854) 10.905 4.065 ( 4.976 -4.007 -3.835) 7.451 4.616 ( 5.086 5.621 -6.004) 9.670 5.038 ( -7.299 0.623 4.972) 8.853 5.382 ( 10.524 -7.152 -0.863) 12.754 6.086 ( -2.718 2.935 1.946) 4.448 7.415 ( 1.010 -2.230 -1.035) 2.657 8.074 ( 2.884 -2.805 -2.220) 4.595 8.274 ( 0.998 2.006 -2.303) 3.213 8.827 ( -12.146 -2.720 5.602) 13.649 9.411 ( -1.346 12.419 2.477) 12.735 9.741 ( -4.975 0.317 1.510) 5.209 14.068 ( 13.966 -1.077 0.321) 14.011 14.993 ( -21.935 4.377 0.626) 22.376 16.167 ( -16.221 0.016 1.389) 16.281 16.653 ( -1.554 26.033 20.054) 32.898 18.718 ( 2.065 -2.965 -2.509) 4.399 19.214 ( 23.446 -27.448 -19.839) 41.191 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.037 -2.452 -0.035) 2.453 1.618 ( 0.275 -10.072 -7.024) 12.282 1.880 ( 0.422 1.109 1.912) 2.250 2.713 ( 0.935 0.333 0.221) 1.017 2.930 ( 0.539 1.713 -1.689) 2.466 3.428 ( 1.056 3.397 -0.723) 3.630 3.712 ( 1.783 -3.622 -2.405) 4.699 4.122 ( 10.207 -7.735 3.046) 13.164 4.744 ( 4.128 7.983 -3.679) 9.711 4.934 ( -8.700 -0.212 4.177) 9.653 5.481 ( 8.970 -2.751 -2.687) 9.760 6.068 ( -2.078 -0.434 0.087) 2.125 7.415 ( 1.470 -1.319 0.442) 2.024 8.113 ( 3.653 1.069 0.315) 3.819 8.323 ( 4.755 1.846 -3.409) 6.135 8.611 ( -13.092 -1.762 2.256) 13.401 9.476 ( -4.401 3.684 1.614) 5.962 9.681 ( -2.492 1.661 1.525) 3.361 14.303 ( 14.705 -0.159 -1.662) 14.799 14.678 ( -18.777 1.431 1.197) 18.870 15.877 ( -17.873 -0.986 0.248) 17.902 16.909 ( -6.624 15.696 12.205) 20.957 18.740 ( 3.625 -0.794 0.111) 3.712 19.299 ( 25.157 -15.955 -11.851) 32.061 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -9.948 -8.088 -6.840) 14.531 1.599 ( -0.876 2.667 -0.801) 2.919 1.913 ( -1.658 1.779 4.584) 5.190 2.714 ( -0.542 -0.423 -1.388) 1.549 2.912 ( -5.476 0.766 2.161) 5.936 3.453 ( 2.393 1.010 -3.667) 4.494 3.701 ( -0.742 3.158 -0.432) 3.273 4.263 ( 8.242 -6.146 6.067) 11.938 4.796 ( -2.664 0.610 -2.137) 3.470 4.835 ( -4.186 3.127 1.848) 5.542 5.616 ( 8.992 2.546 -1.789) 9.515 6.004 ( -2.580 -3.200 -1.412) 4.346 7.447 ( 2.898 -0.624 0.995) 3.127 8.215 ( 3.559 3.259 4.504) 6.601 8.393 ( -3.136 -3.510 0.753) 4.767 8.436 ( 0.773 5.680 -6.318) 8.531 9.353 ( -7.422 -5.004 -1.063) 9.014 9.706 ( 0.297 2.153 0.976) 2.382 14.379 ( -12.788 4.790 -3.522) 14.102 14.556 ( 8.146 -1.931 3.290) 8.995 15.587 ( -13.447 -1.280 -1.049) 13.548 16.863 ( -9.303 -2.966 -2.174) 10.003 18.811 ( 4.354 -0.034 1.057) 4.481 19.607 ( 22.972 0.740 2.334) 23.102 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -11.973 4.582 1.392) 12.895 1.577 ( -5.724 6.549 -2.490) 9.047 1.899 ( -6.299 1.115 5.665) 8.545 2.664 ( -3.590 0.385 -3.632) 5.121 2.793 ( -8.280 -3.500 4.216) 9.929 3.499 ( 3.856 1.464 -2.403) 4.773 3.772 ( 1.513 8.177 3.689) 9.097 4.248 ( -8.881 -4.347 4.944) 11.055 4.770 ( -0.973 -2.415 -0.975) 2.781 4.822 ( 1.877 3.586 -1.252) 4.237 5.742 ( 2.434 -4.191 2.875) 5.635 5.967 ( 2.526 5.071 -2.493) 6.190 7.504 ( 3.888 -0.651 0.148) 3.945 8.231 ( -5.691 -1.465 3.061) 6.626 8.387 ( 3.221 4.580 4.374) 7.105 8.539 ( 7.025 2.056 -6.334) 9.680 9.184 ( -2.704 -5.100 -4.324) 7.212 9.707 ( -0.658 -2.190 -0.893) 2.455 14.207 ( -11.858 6.519 1.496) 13.614 14.604 ( -5.264 -0.863 -0.213) 5.338 15.472 ( 3.594 -0.194 -1.666) 3.966 16.563 ( -8.593 -15.538 -12.148) 21.514 18.888 ( 4.161 -0.262 0.652) 4.220 20.049 ( 16.767 9.472 11.075) 22.215 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -8.709 16.450 10.241) 21.244 1.511 ( -9.197 9.851 -3.289) 13.873 1.780 ( -13.627 -0.061 7.470) 15.540 2.571 ( -5.407 2.424 -3.203) 6.736 2.664 ( -6.063 -4.051 5.857) 9.352 3.577 ( 5.403 0.979 -1.546) 5.705 3.910 ( -1.338 6.332 4.750) 8.028 4.026 ( -13.174 0.222 3.432) 13.616 4.695 ( -3.753 -2.006 1.740) 4.598 4.907 ( 4.201 1.541 -4.013) 6.011 5.688 ( -1.850 -4.739 2.387) 5.620 6.119 ( 5.075 6.866 1.791) 8.724 7.558 ( 3.885 -1.415 -1.183) 4.301 8.162 ( -2.239 -0.981 0.702) 2.544 8.461 ( -4.242 1.908 1.939) 5.040 8.627 ( 9.530 -4.679 2.428) 10.891 9.179 ( 7.787 4.396 -8.587) 12.398 9.626 ( -2.661 -6.502 -2.290) 7.389 14.141 ( -8.138 10.983 3.480) 14.106 14.387 ( -16.005 -2.921 0.950) 16.297 15.648 ( 14.960 2.796 -2.779) 15.471 16.186 ( -5.335 -17.789 -13.135) 22.747 18.947 ( 3.122 -0.718 -0.245) 3.213 20.430 ( 9.061 7.138 10.819) 15.814 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -2.988 6.271 1.790) 7.173 1.649 ( -6.495 6.101 2.519) 9.261 1.679 ( -15.773 1.667 10.898) 19.244 2.595 ( -0.193 1.580 2.109) 2.643 2.815 ( 0.762 9.875 8.295) 12.919 3.583 ( 0.886 -1.445 -5.013) 5.291 3.662 ( -12.192 -2.683 1.139) 12.535 4.173 ( -9.007 0.245 0.692) 9.037 4.762 ( 1.304 1.963 5.463) 5.949 4.850 ( 2.563 -1.371 -1.509) 3.275 5.736 ( -5.429 1.438 -0.153) 5.618 6.107 ( 1.461 -6.530 -4.134) 7.866 7.497 ( 1.385 -3.524 -2.197) 4.377 8.128 ( -0.204 0.084 0.501) 0.547 8.372 ( -3.179 -0.266 3.102) 4.450 8.771 ( 7.362 -4.090 3.788) 9.234 9.249 ( 5.608 2.300 -8.325) 10.298 9.527 ( 3.969 3.268 1.975) 5.508 14.014 ( -15.306 0.146 -2.667) 15.537 14.646 ( -0.533 14.930 13.241) 19.962 15.875 ( 13.672 0.037 5.231) 14.639 16.003 ( 16.494 5.981 -2.896) 17.783 18.888 ( 0.136 -3.663 -3.422) 5.015 20.342 ( -12.816 -15.457 -7.815) 21.546 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -14.797 3.793 0.601) 15.287 1.471 ( -16.119 1.690 8.800) 18.443 1.720 ( 1.817 5.571 5.149) 7.801 2.625 ( -0.899 2.162 3.891) 4.541 3.003 ( 2.346 9.165 10.160) 13.883 3.445 ( -4.942 -0.425 -7.295) 8.822 3.583 ( 1.079 -5.046 -1.104) 5.277 3.996 ( -10.151 -2.559 0.960) 10.512 4.794 ( -0.543 0.835 -2.348) 2.551 4.906 ( 4.101 -2.314 3.281) 5.739 5.529 ( -10.109 -5.577 -7.457) 13.744 6.111 ( 2.083 -0.894 3.564) 4.224 7.461 ( 1.073 -4.362 -3.225) 5.530 8.150 ( 1.501 0.410 0.399) 1.606 8.324 ( -2.017 -2.606 -0.759) 3.381 8.856 ( 1.830 0.779 6.053) 6.372 9.340 ( 4.852 4.960 -1.375) 7.073 9.650 ( 5.528 2.729 -0.465) 6.182 13.789 ( -10.411 1.196 -1.700) 10.617 14.914 ( 1.776 19.415 15.148) 24.689 16.235 ( 18.056 -2.884 18.422) 25.956 16.299 ( 13.191 13.236 -10.595) 21.482 18.802 ( -1.147 -6.465 -5.859) 8.800 19.795 ( -18.795 -23.702 -14.084) 33.368 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -14.804 2.097 5.493) 15.929 1.243 ( -17.380 3.995 1.433) 17.891 1.852 ( 5.191 1.794 3.747) 6.649 2.655 ( -1.580 2.586 4.776) 5.657 3.165 ( 3.515 -0.318 7.773) 8.537 3.325 ( -1.642 -5.570 -6.615) 8.802 3.575 ( 3.284 1.711 -3.801) 5.306 3.826 ( -8.809 -0.349 1.158) 8.891 4.701 ( -1.417 -8.193 -11.895) 14.512 4.956 ( 2.721 -3.439 4.033) 5.958 5.334 ( -5.070 -0.001 -0.724) 5.122 6.161 ( -0.493 1.718 5.343) 5.634 7.413 ( 1.261 -4.558 -3.862) 6.106 8.138 ( -1.356 -3.614 -2.334) 4.510 8.293 ( 2.059 -0.379 -1.227) 2.427 8.942 ( -1.332 5.876 9.471) 11.224 9.455 ( 2.052 5.521 0.616) 5.922 9.750 ( 4.101 2.293 -0.868) 4.778 13.669 ( -4.613 1.549 -0.722) 4.919 15.271 ( 3.042 24.305 17.497) 30.102 16.491 ( 7.275 0.846 4.739) 8.724 16.594 ( 6.407 8.494 2.014) 10.829 18.642 ( -0.444 -13.064 -10.260) 16.617 19.202 ( -10.291 -23.607 -13.534) 29.093 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -7.388 6.510 0.759) 9.876 1.078 ( -3.916 1.086 4.904) 6.369 1.944 ( 4.373 -3.322 0.091) 5.493 2.681 ( -1.957 2.947 4.111) 5.423 3.073 ( -0.617 -14.851 -10.933) 18.452 3.325 ( 1.996 -2.528 10.690) 11.164 3.644 ( -2.923 7.040 -3.328) 8.317 3.748 ( 3.218 2.312 -2.224) 4.544 4.499 ( 1.473 -12.640 -13.637) 18.652 4.996 ( 2.680 -2.757 4.156) 5.661 5.306 ( -2.955 3.148 2.843) 5.169 6.193 ( -2.313 2.719 5.464) 6.527 7.372 ( 1.832 -4.127 -3.857) 5.938 8.051 ( -0.855 -4.727 -3.137) 5.738 8.325 ( 0.911 1.185 -1.176) 1.902 9.038 ( -1.629 5.403 10.297) 11.742 9.508 ( -2.596 6.383 -0.063) 6.891 9.823 ( 1.803 2.680 0.514) 3.271 13.651 ( 1.048 0.930 0.304) 1.434 15.688 ( -0.352 29.433 19.690) 35.413 16.578 ( -5.646 6.790 -3.655) 9.557 16.610 ( -6.126 -0.701 6.120) 8.687 18.465 ( 12.222 -23.480 -14.548) 30.205 18.861 ( -1.027 -15.615 -9.281) 18.194 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 5.390 2.874 7.472) 9.651 1.205 ( 12.111 4.946 -0.730) 13.102 1.918 ( 2.038 -9.591 -5.336) 11.163 2.697 ( -1.942 2.842 2.420) 4.207 2.863 ( 0.275 -11.757 -8.406) 14.456 3.393 ( 1.356 -2.124 9.304) 9.639 3.591 ( -3.774 2.806 -2.186) 5.186 3.889 ( 7.219 4.116 -3.949) 9.201 4.382 ( 7.244 -8.297 -10.961) 15.539 5.046 ( 3.876 -3.332 3.328) 6.099 5.299 ( -3.926 2.510 3.900) 6.077 6.204 ( -3.458 2.934 4.287) 6.241 7.349 ( 2.464 -3.191 -3.193) 5.142 7.996 ( 1.066 -3.284 -2.105) 4.044 8.319 ( -1.745 1.116 -1.504) 2.560 9.097 ( -3.502 1.154 8.687) 9.437 9.513 ( -4.205 8.891 -1.101) 9.897 9.859 ( -1.369 1.785 1.894) 2.940 13.720 ( 6.053 -0.267 0.961) 6.134 15.855 ( -25.966 18.892 8.433) 33.201 16.560 ( -4.318 6.756 2.130) 8.296 16.587 ( 2.120 10.322 11.278) 15.435 18.401 ( 21.870 -30.274 -18.337) 41.606 18.695 ( 0.253 -7.849 -5.874) 9.807 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 9.190 0.348 7.478) 11.853 1.486 ( 13.215 3.805 -1.626) 13.848 1.790 ( 1.481 -9.772 -7.561) 12.444 2.702 ( -1.317 2.237 0.165) 2.601 2.790 ( 4.484 -3.620 -2.826) 6.419 3.463 ( 0.475 1.764 8.926) 9.111 3.555 ( 1.089 -1.783 -3.813) 4.348 3.945 ( 2.267 -3.389 -3.013) 5.070 4.470 ( 12.455 3.293 -8.279) 15.314 5.092 ( 3.154 -3.734 1.463) 5.102 5.281 ( -2.719 0.365 5.315) 5.981 6.185 ( -4.290 2.251 2.033) 5.254 7.351 ( 2.685 -2.085 -1.988) 3.938 7.999 ( 2.765 -0.976 -0.320) 2.950 8.283 ( -1.853 0.865 -2.008) 2.866 9.030 ( -9.504 -1.310 5.112) 10.870 9.547 ( -1.557 8.846 -0.535) 8.998 9.827 ( -4.380 -0.876 1.574) 4.736 13.856 ( 10.280 -1.327 1.043) 10.418 15.491 ( -29.691 7.454 0.256) 30.614 16.417 ( -12.478 -0.694 1.448) 12.581 17.010 ( 2.856 24.528 18.203) 30.678 18.377 ( 27.497 -29.624 -19.841) 45.026 18.645 ( 1.917 -1.828 -1.829) 3.220 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 6.900 -0.113 5.805) 9.018 1.508 ( -3.182 -5.686 -3.731) 7.508 1.848 ( 7.898 4.282 -1.543) 9.115 2.702 ( -0.123 1.029 -1.468) 1.797 2.887 ( 6.359 3.432 1.917) 7.476 3.472 ( -3.908 0.145 -1.940) 4.366 3.619 ( 7.736 -0.390 3.559) 8.524 3.925 ( 4.263 -6.616 -0.335) 7.878 4.685 ( 9.728 8.959 -6.308) 14.652 5.070 ( -3.545 -1.681 0.433) 3.947 5.316 ( 4.791 -2.618 5.202) 7.541 6.128 ( -4.822 0.506 -0.236) 4.854 7.371 ( 2.419 -1.124 -0.518) 2.717 8.067 ( 4.230 1.833 1.778) 4.941 8.265 ( 1.018 0.759 -2.998) 3.255 8.843 ( -13.492 -0.727 2.009) 13.660 9.586 ( -3.343 3.757 0.046) 5.029 9.730 ( -3.690 -2.943 -0.428) 4.739 14.048 ( 13.655 -1.528 0.495) 13.749 15.087 ( -25.117 5.088 -0.199) 25.628 16.163 ( -16.859 -1.375 0.173) 16.916 17.166 ( -8.239 1.039 1.484) 8.436 18.619 ( 25.224 -7.715 -5.793) 27.006 18.709 ( 11.865 3.815 3.778) 13.024 ======================= Grid point 52 (44/226) ======================= q-point: (-0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -8.120 1.093 1.627) 8.353 1.593 ( 4.762 2.001 3.203) 6.077 1.967 ( 1.776 4.049 0.613) 4.463 2.693 ( 0.219 -0.736 -2.498) 2.614 3.029 ( -1.304 6.021 6.409) 8.890 3.386 ( 0.615 -2.900 -5.185) 5.972 3.749 ( 1.448 6.175 1.170) 6.449 4.019 ( 14.249 -7.485 4.356) 16.674 4.830 ( 1.455 6.585 -5.220) 8.528 4.967 ( -6.899 -0.595 0.585) 6.949 5.464 ( 10.360 0.468 4.306) 11.228 6.033 ( -4.830 -1.620 -1.503) 5.312 7.403 ( 2.381 -0.468 0.450) 2.468 8.196 ( 5.588 3.249 4.534) 7.896 8.299 ( 4.542 1.596 -4.555) 6.628 8.616 ( -13.417 0.874 -0.781) 13.468 9.441 ( -9.955 -6.346 -0.792) 11.832 9.701 ( 0.973 -0.598 -1.922) 2.236 14.282 ( 14.951 -0.329 -0.943) 14.984 14.761 ( -19.690 4.827 1.490) 20.328 15.846 ( -18.284 -1.643 -0.969) 18.384 16.872 ( -9.621 -17.576 -12.404) 23.566 18.734 ( 5.305 -0.494 -0.010) 5.328 19.298 ( 27.564 14.718 12.768) 33.755 ======================= Grid point 53 (45/226) ======================= q-point: (-0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -8.332 7.250 5.214) 12.214 1.679 ( -0.325 5.115 0.530) 5.152 2.014 ( -1.432 2.794 3.572) 4.756 2.661 ( -0.281 -1.994 -3.070) 3.672 2.961 ( -11.146 -1.015 3.260) 11.657 3.427 ( 4.855 1.769 -1.209) 5.306 3.854 ( 1.913 9.719 3.488) 10.501 4.234 ( 11.008 -4.455 5.459) 13.070 4.771 ( -6.474 1.217 -4.927) 8.226 4.885 ( -3.260 1.226 -1.176) 3.676 5.677 ( 6.733 -0.069 7.699) 10.228 5.952 ( -0.037 1.467 -3.776) 4.051 7.445 ( 2.686 -0.328 0.302) 2.723 8.336 ( 5.423 -2.957 2.186) 6.552 8.357 ( -3.636 1.368 4.717) 6.111 8.471 ( 0.271 8.861 -7.883) 11.863 9.189 ( -8.490 -8.754 -2.773) 12.505 9.677 ( -0.245 -3.304 -2.527) 4.167 14.463 ( -1.132 6.911 -4.401) 8.271 14.586 ( -2.420 0.300 5.919) 6.402 15.546 ( -13.038 -1.494 -1.084) 13.168 16.422 ( -8.277 -22.627 -16.595) 29.256 18.819 ( 4.408 0.210 0.796) 4.484 19.948 ( 19.967 15.932 14.744) 29.494 ======================= Grid point 54 (46/226) ======================= q-point: (-0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -5.301 9.895 6.982) 13.220 1.693 ( -4.344 7.162 -1.069) 8.444 2.002 ( -6.872 1.810 5.509) 8.991 2.614 ( -0.869 -1.240 -2.840) 3.218 2.784 ( -8.456 -2.160 3.260) 9.316 3.504 ( 3.168 1.422 -0.369) 3.492 4.029 ( 0.951 9.944 6.052) 11.680 4.261 ( -8.637 0.505 3.825) 9.459 4.691 ( 1.249 -3.105 -2.179) 3.993 4.853 ( -0.069 1.830 -3.371) 3.836 5.710 ( -2.173 -4.865 8.838) 10.319 6.068 ( 7.607 6.859 -4.001) 10.996 7.485 ( 2.645 -0.854 -0.444) 2.815 8.235 ( -6.517 -0.094 0.308) 6.525 8.444 ( 7.309 -4.354 -0.405) 8.517 8.563 ( -1.206 4.292 3.880) 5.910 9.038 ( 3.433 -1.206 -8.021) 8.807 9.597 ( -2.189 -5.324 -2.108) 6.130 14.412 ( -8.658 11.845 -0.089) 14.672 14.583 ( -7.295 -3.019 3.964) 8.835 15.460 ( 5.851 0.839 -1.096) 6.012 16.001 ( -4.611 -18.971 -14.145) 24.109 18.887 ( 3.166 -0.294 0.151) 3.183 20.413 ( 10.401 9.032 10.424) 17.275 ======================= Grid point 56 (47/226) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 1.277 1.268 1.010) 2.064 1.767 ( -3.183 1.322 -1.021) 3.595 1.972 ( -10.878 0.535 5.580) 12.238 2.591 ( 2.224 0.316 1.090) 2.497 2.911 ( 3.944 8.060 5.638) 10.597 3.532 ( 0.351 -1.730 -2.373) 2.958 3.930 ( -18.801 0.767 -1.071) 18.847 4.237 ( -4.781 -8.012 -5.358) 10.759 4.767 ( 5.126 3.233 5.344) 8.080 4.829 ( 0.008 -0.608 3.090) 3.149 5.840 ( -4.114 -0.461 5.810) 7.134 5.960 ( 2.391 -4.178 -13.019) 13.880 7.451 ( -0.231 -2.047 -0.974) 2.278 8.173 ( -3.601 1.387 1.250) 4.057 8.441 ( -1.560 -0.723 3.394) 3.805 8.628 ( 5.580 -5.463 4.452) 8.989 9.105 ( 10.037 6.756 -7.239) 14.099 9.534 ( 0.811 2.269 2.888) 3.761 14.272 ( -16.399 0.002 -1.653) 16.482 14.794 ( 4.655 6.424 7.308) 10.787 15.719 ( 12.793 -4.932 14.649) 20.064 15.772 ( 13.699 15.405 -8.456) 22.282 18.845 ( -1.169 -2.669 -2.529) 3.858 20.364 ( -12.456 -13.244 -8.602) 20.113 ======================= Grid point 57 (48/226) ======================= q-point: ( 0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -3.158 2.942 -3.169) 5.355 1.688 ( -3.931 -3.663 1.595) 5.605 1.843 ( -10.145 1.320 7.054) 12.427 2.647 ( 2.092 0.748 2.457) 3.313 3.106 ( 2.635 8.757 7.156) 11.612 3.452 ( -2.198 -5.442 -7.762) 9.731 3.648 ( -13.463 1.289 -1.057) 13.566 4.041 ( -3.461 -9.484 -3.775) 10.778 4.808 ( -3.627 -0.726 1.631) 4.042 4.900 ( 2.309 1.584 5.491) 6.164 5.588 ( -10.301 -7.155 -8.901) 15.380 6.055 ( 6.761 2.006 1.129) 7.142 7.410 ( -0.890 -2.694 -1.515) 3.216 8.156 ( -1.014 1.510 0.695) 1.947 8.341 ( -5.007 -5.438 -0.269) 7.397 8.793 ( 10.344 -0.051 5.440) 11.688 9.308 ( 7.342 10.110 -1.511) 12.586 9.601 ( 2.623 1.465 2.330) 3.802 14.004 ( -14.547 1.318 -1.345) 14.669 15.043 ( 10.171 8.888 8.301) 15.854 16.038 ( 16.418 -4.308 18.117) 24.826 16.148 ( 14.446 21.235 -4.965) 26.158 18.752 ( -3.298 -4.699 -4.327) 7.189 19.819 ( -21.299 -22.213 -15.426) 34.424 ======================= Grid point 58 (49/226) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -11.232 1.932 -3.249) 11.851 1.559 ( -13.720 -2.932 6.035) 15.273 1.783 ( 1.679 -1.800 -0.412) 2.496 2.701 ( 1.336 0.785 3.144) 3.505 3.126 ( -4.688 -7.988 -3.887) 10.044 3.346 ( -2.655 0.100 3.283) 4.223 3.540 ( 0.297 5.123 -5.573) 7.575 3.912 ( -2.579 -4.476 -0.950) 5.252 4.647 ( -10.078 -8.065 -2.792) 13.207 4.964 ( 0.340 1.733 3.451) 3.876 5.385 ( -3.266 -1.001 -3.702) 5.038 6.178 ( 3.965 1.796 2.763) 5.155 7.355 ( -1.045 -2.820 -1.926) 3.571 8.130 ( -3.033 -2.382 -2.729) 4.725 8.253 ( 1.001 -1.811 0.854) 2.239 8.989 ( 6.995 2.676 4.542) 8.759 9.499 ( 2.323 9.086 3.937) 10.171 9.681 ( 5.233 1.206 -0.254) 5.377 13.806 ( -10.027 2.113 -0.997) 10.295 15.408 ( 14.586 11.973 9.604) 21.174 16.349 ( 13.530 -1.214 7.292) 15.417 16.581 ( 10.831 18.970 7.750) 23.178 18.551 ( -9.896 -10.520 -8.957) 16.995 19.130 ( -17.668 -22.838 -15.492) 32.768 ======================= Grid point 59 (50/226) ======================= q-point: ( 0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -10.318 1.266 -0.547) 10.410 1.289 ( -16.315 -1.238 2.099) 16.496 1.796 ( 4.717 -6.519 -3.959) 8.968 2.743 ( 0.226 0.938 2.814) 2.974 2.903 ( -2.702 -11.866 -7.667) 14.383 3.338 ( -1.417 -0.926 5.598) 5.849 3.641 ( 6.067 7.702 -4.499) 10.788 3.834 ( -4.949 0.645 0.873) 5.067 4.352 ( -8.559 -11.139 -5.165) 14.967 4.997 ( -0.032 1.015 2.237) 2.457 5.365 ( -0.097 1.656 0.071) 1.661 6.257 ( 1.254 1.623 3.140) 3.751 7.303 ( -0.359 -2.464 -2.065) 3.234 8.024 ( -2.655 -3.555 -2.691) 5.189 8.298 ( 2.713 0.657 0.431) 2.824 9.124 ( 2.665 3.004 3.535) 5.350 9.591 ( -0.740 3.308 3.816) 5.104 9.802 ( 4.910 4.484 -0.014) 6.650 13.696 ( -4.817 1.730 -0.377) 5.132 15.890 ( 18.862 16.124 11.508) 27.353 16.553 ( 7.258 0.690 2.476) 7.700 16.871 ( -7.339 15.673 10.371) 20.176 18.055 ( -9.889 -26.730 -18.983) 34.244 18.746 ( -3.653 -9.883 -6.465) 12.362 ======================= Grid point 60 (51/226) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -2.783 2.143 -0.406) 3.536 1.129 ( -1.027 -0.047 1.896) 2.157 1.749 ( 2.108 -8.019 -5.154) 9.763 2.734 ( -0.750 -4.024 -2.757) 4.935 2.778 ( -1.047 -0.448 0.571) 1.274 3.352 ( 1.488 -2.088 2.996) 3.944 3.738 ( -3.552 0.493 0.465) 3.616 3.826 ( 2.779 9.920 -0.916) 10.343 4.137 ( 1.174 -10.727 -5.388) 12.061 5.016 ( 0.521 -0.142 1.498) 1.592 5.378 ( -0.966 1.300 1.129) 1.974 6.291 ( -1.030 1.423 2.454) 3.018 7.274 ( 0.923 -1.705 -1.765) 2.622 7.957 ( -0.497 -1.774 -1.247) 2.225 8.333 ( 0.365 0.508 -0.324) 0.705 9.183 ( -0.492 1.170 3.036) 3.291 9.613 ( -1.287 2.665 0.637) 3.027 9.894 ( 0.961 2.522 1.059) 2.899 13.670 ( 0.378 0.435 0.242) 0.626 16.493 ( 14.455 26.835 13.288) 33.251 16.632 ( -0.142 1.462 -0.325) 1.505 16.665 ( -24.683 -0.110 4.841) 25.153 17.703 ( 10.809 -26.466 -16.259) 32.889 18.622 ( -0.661 -3.861 -2.886) 4.866 ======================= Grid point 61 (52/226) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 7.023 0.022 5.039) 8.644 1.265 ( 14.225 3.729 -2.457) 14.909 1.682 ( -0.570 -2.525 -1.482) 2.983 2.711 ( 1.603 1.901 -0.792) 2.610 2.766 ( -1.894 0.784 1.178) 2.365 3.386 ( 3.978 -2.721 0.627) 4.860 3.662 ( -6.666 1.341 2.201) 7.147 3.890 ( 0.040 -1.984 -0.949) 2.199 4.203 ( 14.748 2.381 -4.626) 15.638 5.031 ( 1.301 -1.578 0.777) 2.188 5.367 ( -2.375 0.397 2.007) 3.135 6.279 ( -3.097 0.922 0.966) 3.372 7.279 ( 2.171 -0.750 -1.094) 2.544 7.960 ( 1.798 0.507 0.596) 1.961 8.315 ( -2.168 0.070 -1.003) 2.390 9.163 ( -4.406 -0.878 2.348) 5.069 9.620 ( -0.744 3.566 -1.852) 4.087 9.884 ( -3.111 -2.111 0.565) 3.802 13.718 ( 5.319 -1.071 0.677) 5.468 16.091 ( -34.385 3.051 -2.473) 34.608 16.580 ( -6.842 -0.624 0.333) 6.878 17.247 ( 20.057 27.071 20.214) 39.290 17.534 ( 14.797 -29.497 -19.138) 38.148 18.606 ( 1.368 0.854 0.266) 1.635 ======================= Grid point 63 (53/226) ======================= q-point: (-0.36 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 8.908 0.318 5.027) 10.234 1.514 ( 6.175 3.351 0.286) 7.031 1.707 ( 6.648 3.675 -0.824) 7.641 2.728 ( -2.221 1.345 -1.791) 3.154 2.847 ( 6.406 7.573 4.923) 11.074 3.438 ( 4.945 -1.881 -4.315) 6.827 3.579 ( -3.302 -3.974 6.083) 7.981 3.863 ( -0.204 -0.901 -0.441) 1.024 4.501 ( 16.285 7.572 -4.132) 18.428 5.034 ( 1.324 -2.914 -0.476) 3.236 5.343 ( -2.039 -0.254 3.755) 4.281 6.218 ( -4.986 0.063 -0.456) 5.008 7.315 ( 2.748 0.141 -0.294) 2.768 8.033 ( 3.838 2.588 2.452) 5.239 8.265 ( -2.135 0.034 -1.928) 2.877 9.044 ( -9.650 -1.115 0.745) 9.743 9.637 ( 0.716 2.706 -2.964) 4.077 9.758 ( -6.549 -6.924 -0.643) 9.552 13.836 ( 9.944 -1.999 0.872) 10.180 15.572 ( -27.886 1.545 -2.694) 28.058 16.401 ( -12.984 -1.047 -1.148) 13.076 17.175 ( -6.798 -20.256 -13.875) 25.476 18.108 ( 33.593 15.593 12.572) 39.111 18.694 ( 4.277 6.927 4.868) 9.485 ======================= Grid point 64 (54/226) ======================= q-point: (-0.27 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 1.845 -1.137 5.236) 5.667 1.559 ( 0.323 6.665 3.478) 7.525 1.897 ( 9.680 3.323 -4.454) 11.162 2.686 ( -1.871 -0.101 -2.260) 2.936 3.118 ( 8.043 11.789 8.104) 16.412 3.352 ( -6.013 -5.327 -4.611) 9.262 3.671 ( 12.865 -3.148 4.434) 13.967 3.869 ( 0.126 2.444 1.244) 2.745 4.777 ( 9.445 7.434 -5.464) 13.204 5.000 ( -1.051 -3.350 -2.420) 4.264 5.390 ( 4.392 1.650 7.643) 8.968 6.110 ( -6.462 -1.343 -1.109) 6.692 7.364 ( 2.478 0.716 0.354) 2.603 8.157 ( 4.806 1.673 3.859) 6.387 8.245 ( 1.525 2.959 -3.256) 4.657 8.842 ( -12.999 -0.041 -1.522) 13.088 9.533 ( -9.563 -9.982 -0.908) 13.853 9.648 ( 1.303 -0.105 -3.605) 3.835 14.023 ( 13.920 -1.809 0.711) 14.055 15.158 ( -21.870 2.169 -1.912) 22.060 16.122 ( -17.126 -1.027 -2.899) 17.399 16.720 ( -9.123 -24.721 -15.899) 30.775 18.623 ( 9.741 3.178 2.897) 10.648 19.148 ( 24.032 22.745 17.542) 37.452 ======================= Grid point 65 (55/226) ======================= q-point: (-0.18 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -5.093 2.787 3.101) 6.582 1.701 ( 3.811 3.882 3.535) 6.488 2.016 ( 5.260 2.026 -2.807) 6.297 2.634 ( -1.560 -1.405 -2.673) 3.399 3.128 ( -9.786 -6.477 -2.580) 12.016 3.385 ( 5.272 7.469 5.301) 10.568 3.930 ( 10.458 7.027 1.133) 12.651 3.964 ( 9.923 -0.346 6.505) 11.870 4.855 ( -2.190 3.608 -6.401) 7.668 4.906 ( -2.512 -3.403 -3.612) 5.562 5.626 ( 9.845 5.959 10.955) 15.889 5.972 ( -5.753 -2.482 -2.136) 6.620 7.412 ( 1.897 0.841 0.572) 2.153 8.224 ( 4.342 -2.348 -0.328) 4.947 8.375 ( 6.175 7.011 0.707) 9.369 8.614 ( -12.144 2.178 -4.209) 13.036 9.251 ( -10.796 -11.056 -0.165) 15.454 9.625 ( 0.198 -2.625 -3.467) 4.354 14.267 ( 15.753 -0.447 0.032) 15.759 14.861 ( -15.586 3.237 -0.489) 15.926 15.793 ( -17.865 -1.048 -3.196) 18.179 16.227 ( -8.832 -24.079 -14.672) 29.548 18.764 ( 4.253 2.041 2.121) 5.172 19.873 ( 21.418 19.939 15.915) 33.310 ======================= Grid point 66 (56/226) ======================= q-point: (-0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -3.124 3.300 2.456) 5.165 1.778 ( -0.032 3.361 0.420) 3.387 2.093 ( 1.775 1.515 1.347) 2.694 2.581 ( -0.566 -1.819 -2.183) 2.897 2.901 ( -7.707 -4.845 -1.779) 9.276 3.499 ( 0.908 2.761 1.908) 3.477 4.143 ( 2.894 11.380 4.633) 12.624 4.235 ( 13.770 -1.867 6.642) 15.402 4.702 ( -8.654 -0.632 -7.512) 11.477 4.854 ( -0.622 -0.717 -3.094) 3.237 5.793 ( -4.842 -2.849 11.116) 12.455 5.963 ( 8.629 5.864 -4.022) 11.182 7.449 ( 1.372 0.430 0.312) 1.471 8.283 ( 5.899 -2.678 -0.586) 6.505 8.376 ( -8.662 -0.159 -1.812) 8.851 8.602 ( 5.014 8.070 -1.459) 9.612 8.992 ( -7.364 -7.722 -0.058) 10.670 9.566 ( -0.989 -3.594 -2.446) 4.459 14.499 ( 9.206 1.743 -1.468) 9.484 14.703 ( -7.574 3.518 2.314) 8.666 15.506 ( -11.364 -1.261 -0.904) 11.469 15.818 ( -5.044 -16.708 -11.275) 20.778 18.846 ( 2.434 1.016 1.193) 2.895 20.390 ( 11.556 11.059 9.541) 18.624 ======================= Grid point 135 (57/226) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 -0.000 24.610) 24.610 0.481 ( 0.000 -0.000 24.610) 24.610 0.621 ( 0.000 -0.000 31.684) 31.684 2.417 ( 0.000 -0.000 4.431) 4.431 2.417 ( 0.000 -0.000 4.431) 4.431 3.635 ( 0.000 -0.000 2.203) 2.203 3.635 ( 0.000 -0.000 2.203) 2.203 4.056 ( -0.000 0.000 -9.098) 9.098 4.836 ( 0.000 -0.000 10.825) 10.825 4.883 ( 0.000 -0.000 1.494) 1.494 4.883 ( 0.000 -0.000 1.494) 1.494 6.888 ( -0.000 0.000 -3.453) 3.453 7.787 ( 0.000 -0.000 1.571) 1.571 8.250 ( -0.000 0.000 -0.816) 0.816 8.250 ( -0.000 0.000 -0.816) 0.816 9.135 ( 0.000 -0.000 0.164) 0.164 9.391 ( -0.000 0.000 -5.392) 5.392 9.391 ( -0.000 0.000 -5.392) 5.392 13.741 ( 0.000 -0.000 5.841) 5.841 13.741 ( 0.000 -0.000 5.841) 5.841 16.158 ( -0.000 0.000 -4.410) 4.410 16.158 ( -0.000 0.000 -4.410) 4.410 19.045 ( -0.000 0.000 -1.386) 1.386 20.874 ( 0.000 -0.000 0.552) 0.552 ======================= Grid point 136 (58/226) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 11.208 5.793 12.701) 17.902 0.814 ( 16.707 -9.987 22.573) 29.806 1.036 ( 7.683 17.890 24.341) 31.170 2.458 ( 1.968 -2.317 5.857) 6.599 2.487 ( 0.572 4.433 6.397) 7.804 3.592 ( -3.054 1.164 2.117) 3.894 3.716 ( 4.933 1.544 4.463) 6.829 3.919 ( -5.110 -1.678 -4.690) 7.136 4.762 ( -3.187 -2.777 7.962) 9.015 4.898 ( 1.147 0.152 -0.578) 1.293 5.237 ( 15.019 8.397 -3.793) 17.620 6.613 ( -15.397 -7.575 7.590) 18.763 7.735 ( -3.781 -1.735 0.471) 4.187 8.220 ( -2.032 -0.692 -0.882) 2.321 8.269 ( 1.064 2.043 -0.268) 2.319 9.085 ( -3.490 -2.605 -0.580) 4.393 9.374 ( 4.903 -3.538 -14.783) 15.972 9.455 ( 1.625 4.484 -1.518) 5.005 13.726 ( -0.002 1.589 3.059) 3.447 13.935 ( 8.390 3.218 11.296) 14.434 16.005 ( -2.253 -7.351 -10.173) 12.752 16.338 ( 4.979 4.271 1.106) 6.652 19.025 ( -0.912 -0.352 -1.999) 2.225 20.689 ( -10.845 -2.702 2.141) 11.380 ======================= Grid point 137 (59/226) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 19.350 7.913 1.354) 20.949 1.139 ( 17.228 -8.917 17.968) 26.442 1.454 ( 6.409 15.625 17.215) 24.115 2.519 ( 3.022 -1.811 7.227) 8.040 2.598 ( 1.880 4.689 7.207) 8.802 3.591 ( -1.527 5.386 -2.085) 5.974 3.757 ( -3.407 -3.773 -1.764) 5.381 3.917 ( 6.934 4.574 4.339) 9.372 4.768 ( -0.430 -1.414 8.898) 9.020 4.891 ( -0.866 -0.177 -2.917) 3.048 5.486 ( 10.234 5.067 -1.746) 11.553 6.390 ( -9.721 -4.449 2.623) 11.007 7.648 ( -4.504 -1.324 -0.847) 4.770 8.171 ( -2.342 -0.384 -0.288) 2.391 8.321 ( 1.468 3.823 0.927) 4.199 8.976 ( -4.109 -5.548 -0.557) 6.926 9.275 ( 0.844 -6.279 -14.298) 15.639 9.504 ( -0.171 2.934 1.836) 3.465 13.812 ( 4.462 5.805 1.082) 7.401 14.208 ( 10.331 2.956 14.113) 17.738 15.820 ( -1.093 -9.038 -13.656) 16.413 16.370 ( -6.262 -3.178 12.391) 14.243 18.982 ( -1.943 -0.417 -2.900) 3.516 20.547 ( -5.360 2.782 -5.964) 8.488 ======================= Grid point 138 (60/226) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 12.098 2.997 2.573) 12.726 1.443 ( 15.863 -3.195 7.780) 17.955 1.770 ( 5.261 11.747 10.523) 16.625 2.603 ( 1.967 -0.618 6.845) 7.149 2.719 ( 3.553 1.713 6.025) 7.202 3.558 ( -1.554 -0.562 -7.569) 7.747 3.740 ( 1.005 8.295 0.827) 8.397 4.125 ( 8.823 1.859 5.455) 10.539 4.820 ( 0.663 -0.747 8.617) 8.675 4.830 ( -3.103 -0.287 -4.087) 5.139 5.679 ( 7.792 4.399 1.750) 9.117 6.192 ( -7.885 -5.225 -5.842) 11.118 7.558 ( -4.240 -0.609 -0.854) 4.368 8.143 ( -1.073 0.950 0.594) 1.551 8.401 ( 1.698 4.629 2.212) 5.404 8.843 ( -4.143 -6.928 0.702) 8.103 9.119 ( -1.348 -7.727 -11.140) 13.625 9.532 ( -1.234 2.105 3.375) 4.165 13.997 ( 8.247 8.977 0.457) 12.199 14.491 ( 9.464 1.679 13.138) 16.278 15.635 ( 0.075 -8.515 -13.128) 15.648 16.245 ( -14.110 -7.246 19.022) 24.767 18.921 ( -2.316 -0.124 -3.571) 4.258 20.470 ( -1.463 4.564 -12.427) 13.320 ======================= Grid point 139 (61/226) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 3.582 -0.708 3.701) 5.199 1.676 ( 9.795 0.623 0.910) 9.857 1.998 ( 4.584 7.747 4.992) 10.294 2.632 ( -2.501 -0.250 5.085) 5.672 2.812 ( 3.587 -2.226 3.652) 5.582 3.503 ( 1.442 -1.415 -5.284) 5.657 3.911 ( 6.760 13.322 -3.253) 15.289 4.278 ( 4.372 0.183 1.461) 4.613 4.748 ( -1.652 -3.024 -1.595) 3.797 4.868 ( -0.789 -0.582 7.609) 7.672 5.859 ( 4.823 3.795 6.733) 9.110 5.948 ( -6.169 -4.674 -15.049) 16.923 7.491 ( -2.766 -0.004 -0.662) 2.844 8.165 ( 1.262 2.287 0.717) 2.709 8.457 ( 0.231 -1.578 -0.188) 1.606 8.755 ( -3.598 0.909 6.283) 7.297 8.951 ( -1.444 -8.840 -7.041) 11.393 9.548 ( -1.385 1.047 3.608) 4.004 14.254 ( 10.305 9.935 1.410) 14.384 14.678 ( 4.689 -1.840 4.100) 6.495 15.529 ( 2.637 -4.238 -3.833) 6.293 16.019 ( -18.257 -8.669 20.833) 29.025 18.866 ( -1.400 0.370 -3.498) 3.786 20.421 ( 1.519 4.225 -16.644) 17.239 ======================= Grid point 140 (62/226) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -1.901 -0.776 0.251) 2.068 1.797 ( 2.963 1.316 0.704) 3.318 2.107 ( 0.164 1.542 -0.977) 1.833 2.610 ( -2.761 0.464 4.965) 5.700 2.833 ( 0.881 -4.660 1.174) 4.886 3.494 ( 1.417 -0.085 -4.257) 4.488 4.134 ( 8.226 9.107 -7.125) 14.190 4.269 ( -3.201 1.919 -7.254) 8.158 4.714 ( 0.345 -6.772 7.573) 10.165 4.875 ( -1.546 -1.451 4.928) 5.365 5.693 ( -4.269 -4.263 -15.008) 16.175 6.037 ( 4.288 6.167 3.724) 8.384 7.459 ( -0.739 0.418 -0.536) 1.004 8.231 ( 3.632 2.197 -1.446) 4.484 8.373 ( -2.455 -6.600 -0.859) 7.094 8.717 ( -5.362 -5.188 0.734) 7.497 8.933 ( 3.209 6.304 7.125) 10.040 9.551 ( -1.006 -0.888 3.199) 3.469 14.522 ( 8.401 6.892 3.974) 11.570 14.640 ( -1.780 -6.064 -9.154) 11.124 15.613 ( 3.576 3.364 11.618) 12.613 15.766 ( -15.195 -8.002 17.577) 24.574 18.843 ( 0.486 0.884 -2.733) 2.913 20.387 ( 3.824 3.042 -19.216) 19.828 ======================= Grid point 141 (63/226) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -6.329 0.704 -3.813) 7.422 1.808 ( -3.667 0.337 1.595) 4.013 2.002 ( -6.041 -6.936 -6.191) 11.087 2.630 ( -0.608 1.790 4.596) 4.969 2.764 ( -3.471 -5.023 -0.672) 6.143 3.498 ( 1.959 1.392 -3.458) 4.211 4.077 ( -3.858 -8.998 -8.144) 12.735 4.268 ( -2.047 7.458 -9.889) 12.554 4.702 ( -1.905 -3.848 8.936) 9.913 4.883 ( 1.227 -0.459 3.977) 4.188 5.559 ( 2.180 -0.192 -14.217) 14.385 6.156 ( 1.511 4.177 1.115) 4.580 7.471 ( 1.526 1.099 0.168) 1.888 8.224 ( -1.179 -4.167 -3.008) 5.273 8.366 ( 4.233 1.797 1.732) 4.914 8.572 ( -3.464 -6.897 -1.445) 7.852 9.146 ( 2.786 11.932 11.442) 16.765 9.537 ( -0.128 -3.695 2.519) 4.474 14.430 ( -4.646 -7.413 -15.431) 17.739 14.657 ( -3.487 -1.076 10.605) 11.215 15.630 ( -5.609 0.842 14.350) 15.431 15.830 ( 4.970 4.447 15.201) 16.599 18.864 ( 2.327 1.348 -1.775) 3.222 20.362 ( 5.454 1.941 -20.627) 21.424 ======================= Grid point 142 (64/226) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -13.629 2.819 -8.148) 16.127 1.668 ( -9.062 -9.368 -5.970) 14.336 1.755 ( -8.799 -7.190 -1.257) 11.432 2.614 ( -4.256 -2.456 -4.503) 6.665 2.661 ( -4.292 -1.007 7.243) 8.479 3.561 ( 4.951 2.843 -1.223) 5.839 3.857 ( -3.046 -13.155 -5.966) 14.763 4.144 ( -10.847 4.377 -8.009) 14.176 4.677 ( -1.901 -3.369 3.643) 5.314 4.954 ( 1.836 1.326 5.392) 5.849 5.567 ( 5.483 3.041 -9.361) 11.267 6.171 ( -1.150 0.340 -4.562) 4.717 7.532 ( 3.332 1.964 0.875) 3.966 8.168 ( -1.332 -0.713 0.716) 1.672 8.428 ( 0.440 -8.868 3.085) 9.399 8.525 ( 5.397 6.509 -5.924) 10.324 9.368 ( -0.112 13.076 9.697) 16.280 9.516 ( 2.723 -7.242 3.094) 8.333 14.170 ( -6.080 -6.261 -15.708) 17.969 14.526 ( -14.305 -7.665 13.940) 21.395 15.766 ( 8.083 2.805 10.783) 13.765 16.041 ( 0.983 7.307 16.141) 17.745 18.918 ( 3.159 1.654 -1.100) 3.731 20.344 ( 6.316 1.680 -21.162) 22.149 ======================= Grid point 143 (65/226) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -21.138 5.065 -10.520) 24.148 1.284 ( -8.422 -22.796 -14.055) 28.074 1.534 ( -15.170 -3.984 6.793) 17.093 2.490 ( -3.351 -3.459 -2.326) 5.348 2.612 ( -6.772 -0.787 8.276) 10.723 3.661 ( 3.038 -9.211 -3.217) 10.218 3.700 ( 0.777 2.604 0.101) 2.719 3.938 ( -10.367 2.357 -6.860) 12.653 4.635 ( -1.514 -2.271 2.100) 3.444 5.005 ( -0.324 -0.564 4.380) 4.428 5.664 ( 5.142 5.222 -1.489) 7.478 6.074 ( -2.902 -3.042 -9.745) 10.613 7.619 ( 3.770 2.275 0.203) 4.408 8.174 ( -0.394 2.467 2.436) 3.489 8.357 ( -0.544 -6.321 0.791) 6.394 8.688 ( 9.399 6.854 -5.471) 12.855 9.433 ( -1.875 0.745 -0.087) 2.019 9.604 ( 4.191 1.642 9.114) 10.165 13.922 ( -5.962 -4.083 -13.279) 15.117 14.274 ( -15.275 -9.062 13.267) 22.169 16.026 ( 12.174 -1.311 11.874) 17.056 16.198 ( -2.912 8.560 13.481) 16.232 18.979 ( 2.729 1.598 -0.879) 3.283 20.337 ( 6.270 2.823 -20.500) 21.622 ======================= Grid point 144 (66/226) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -20.744 4.919 -4.121) 21.714 0.796 ( -8.640 -28.454 -14.189) 32.949 1.239 ( -21.368 -6.563 12.598) 25.659 2.414 ( -1.305 -2.629 -0.069) 2.936 2.546 ( -6.876 -0.969 10.817) 12.854 3.556 ( -1.555 -5.145 -2.796) 6.059 3.699 ( -6.147 2.083 -2.317) 6.892 3.873 ( 3.151 1.888 -0.630) 3.727 4.626 ( 0.681 -0.164 2.201) 2.310 4.990 ( -2.246 -2.192 2.534) 4.034 5.753 ( -1.470 -0.199 -10.882) 10.982 5.970 ( 2.096 1.620 5.918) 6.484 7.694 ( 3.009 1.905 -1.216) 3.763 8.218 ( -0.085 3.526 2.103) 4.106 8.300 ( -0.609 -3.813 -0.094) 3.863 8.886 ( 9.986 6.310 -4.774) 12.741 9.398 ( -0.074 -1.969 -2.368) 3.081 9.714 ( 1.439 1.065 4.123) 4.494 13.739 ( -3.970 -1.482 -8.345) 9.360 14.033 ( -12.479 -8.356 11.314) 18.802 16.242 ( 7.893 -9.615 9.197) 15.470 16.299 ( -2.213 10.349 10.403) 14.840 19.023 ( 1.666 1.136 -0.961) 2.234 20.357 ( 5.783 5.573 -15.679) 17.616 ======================= Grid point 147 (67/226) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 1.271 -5.000 21.485) 22.096 0.815 ( -10.145 -1.383 23.798) 25.907 1.272 ( 4.065 18.306 21.212) 28.312 2.476 ( -0.929 0.013 5.996) 6.068 2.607 ( 1.413 10.965 6.373) 12.761 3.627 ( 4.230 -5.884 4.903) 8.750 3.660 ( -3.040 0.249 2.461) 3.919 3.896 ( 0.929 -2.689 -5.662) 6.336 4.777 ( -1.010 -5.018 5.286) 7.358 4.972 ( 0.079 4.351 2.221) 4.886 5.203 ( -0.166 13.322 0.104) 13.323 6.605 ( 0.804 -19.455 2.751) 19.665 7.733 ( 0.477 -5.725 0.722) 5.790 8.234 ( 0.847 0.378 -1.389) 1.670 8.267 ( 0.813 2.070 0.431) 2.265 9.000 ( -1.649 -11.505 -4.400) 12.427 9.280 ( -2.047 2.531 -4.297) 5.391 9.529 ( 0.738 12.393 -7.922) 14.727 13.708 ( 1.021 -5.194 5.245) 7.452 14.053 ( -0.989 14.201 12.403) 18.880 16.141 ( -11.531 10.493 -11.768) 19.533 16.260 ( 7.911 9.754 -3.798) 13.121 19.010 ( 0.188 -1.411 -2.428) 2.815 20.607 ( 2.732 -24.870 3.893) 25.321 ======================= Grid point 148 (68/226) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 11.316 -1.445 16.106) 19.737 0.935 ( 9.072 -4.499 19.782) 22.223 1.613 ( 4.011 13.364 15.419) 20.795 2.514 ( 0.860 -0.109 6.426) 6.484 2.753 ( -2.819 11.760 7.477) 14.218 3.612 ( 0.025 -1.150 -2.770) 2.999 3.715 ( 3.395 -2.992 1.440) 4.749 3.876 ( 3.267 -0.539 1.196) 3.521 4.756 ( 0.545 -3.659 3.193) 4.887 4.986 ( -4.492 4.716 3.311) 7.306 5.384 ( 7.977 6.573 -0.258) 10.340 6.407 ( -3.729 -16.256 0.583) 16.688 7.670 ( -1.501 -4.977 -0.395) 5.213 8.221 ( -2.356 1.351 -0.543) 2.770 8.329 ( 2.691 2.958 0.621) 4.047 8.848 ( 1.303 -11.407 -5.790) 12.859 9.229 ( -4.527 1.936 -3.744) 6.186 9.589 ( -1.219 9.172 -3.825) 10.012 13.752 ( 5.337 -2.848 4.774) 7.706 14.298 ( 1.897 15.672 14.456) 21.406 15.885 ( -16.023 8.375 -13.119) 22.337 16.454 ( 3.119 3.915 3.994) 6.403 18.972 ( -0.563 -1.957 -3.186) 3.782 20.440 ( 3.936 -20.693 -2.966) 21.272 ======================= Grid point 149 (69/226) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 16.218 4.519 3.404) 17.177 1.207 ( 14.029 -6.685 17.167) 23.156 1.862 ( 3.375 8.882 10.023) 13.810 2.585 ( 2.838 -0.768 6.907) 7.507 2.838 ( -4.338 9.355 6.201) 12.033 3.521 ( -2.409 -4.766 -8.117) 9.717 3.773 ( 3.346 5.726 -1.228) 6.744 4.003 ( 8.862 -3.574 6.433) 11.519 4.753 ( 1.630 -3.456 -1.569) 4.131 4.972 ( -5.161 3.847 5.579) 8.518 5.577 ( 9.930 2.238 0.416) 10.188 6.183 ( -5.620 -12.394 -3.156) 13.969 7.591 ( -2.215 -3.670 -0.917) 4.383 8.192 ( -2.445 1.887 0.306) 3.104 8.393 ( 3.253 -1.110 -2.475) 4.236 8.770 ( 1.378 -3.135 -0.831) 3.524 9.117 ( -7.121 -0.300 -2.895) 7.692 9.622 ( -2.236 6.230 0.032) 6.619 13.892 ( 9.698 -0.535 4.272) 10.610 14.572 ( 1.361 14.687 13.265) 19.837 15.647 ( -11.098 7.859 -11.662) 17.915 16.481 ( -6.784 -3.567 14.516) 16.415 18.915 ( -1.087 -2.139 -3.959) 4.629 20.301 ( 5.896 -14.839 -12.995) 20.587 ======================= Grid point 150 (70/226) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 7.755 0.453 6.707) 10.263 1.474 ( 15.174 -0.560 3.334) 15.547 2.030 ( 2.920 5.404 4.302) 7.499 2.667 ( 2.554 -1.759 6.961) 7.621 2.865 ( -5.426 6.586 2.639) 8.932 3.405 ( 1.574 -4.567 -7.839) 9.208 3.907 ( 5.208 9.585 -3.583) 11.482 4.138 ( 8.748 -7.572 3.953) 12.227 4.707 ( 0.049 -4.137 -4.314) 5.977 4.966 ( -4.016 1.596 7.522) 8.675 5.746 ( 9.831 -3.630 -4.998) 11.611 5.963 ( -6.800 -3.534 -0.523) 7.682 7.519 ( -2.060 -2.328 -0.922) 3.243 8.185 ( -0.868 2.144 -0.150) 2.318 8.364 ( 2.712 -7.884 -6.169) 10.372 8.847 ( 1.553 8.465 7.338) 11.310 8.956 ( -8.344 -3.129 -1.247) 8.999 9.633 ( -3.101 3.846 2.122) 5.377 14.111 ( 13.051 -0.017 4.262) 13.729 14.730 ( -3.853 8.242 3.136) 9.624 15.575 ( -3.751 13.787 -0.619) 14.302 16.357 ( -14.439 -7.914 21.079) 26.748 18.852 ( -0.694 -1.823 -4.234) 4.661 20.182 ( 8.140 -11.454 -21.056) 25.314 ======================= Grid point 151 (71/226) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 0.599 -1.311 3.489) 3.775 1.708 ( 9.733 1.574 0.986) 9.909 2.100 ( 0.491 -0.091 -2.246) 2.301 2.714 ( -1.091 -0.680 8.159) 8.260 2.819 ( -4.162 2.275 -2.452) 5.339 3.395 ( 5.067 -1.576 -6.419) 8.328 4.055 ( 4.516 4.749 -5.854) 8.787 4.179 ( 6.122 -5.401 -5.634) 9.919 4.669 ( 2.300 -4.600 3.713) 6.344 4.946 ( -4.212 -1.231 6.382) 7.745 5.639 ( -3.685 -4.162 -15.308) 16.286 6.018 ( 5.059 2.749 5.962) 8.288 7.470 ( -1.123 -1.114 -0.676) 1.720 8.185 ( 0.799 -0.427 -4.417) 4.509 8.309 ( 2.331 -4.436 -1.246) 5.164 8.767 ( -8.440 -6.249 1.154) 10.565 9.044 ( 2.529 12.258 10.015) 16.029 9.618 ( -3.779 1.546 2.733) 4.913 14.357 ( 13.109 -1.635 2.589) 13.462 14.656 ( -6.738 1.108 -5.023) 8.477 15.747 ( -1.252 17.515 9.707) 20.064 16.148 ( -17.581 -5.669 24.381) 30.589 18.811 ( 0.772 -1.033 -3.774) 3.988 20.086 ( 10.596 -9.738 -25.776) 29.521 ======================= Grid point 152 (72/226) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -3.439 -0.091 -1.073) 3.604 1.828 ( 2.363 -0.831 1.533) 2.937 1.982 ( -5.378 -8.196 -7.867) 12.569 2.739 ( -3.769 4.625 6.602) 8.898 2.764 ( -0.996 -2.232 -1.511) 2.873 3.423 ( 3.819 0.448 -6.875) 7.877 3.960 ( -1.947 -11.590 -8.437) 14.467 4.271 ( 4.786 7.867 -8.925) 12.823 4.739 ( 2.968 -3.333 11.001) 11.872 4.887 ( -3.032 -3.199 3.970) 5.932 5.478 ( -1.890 3.686 -16.175) 16.697 6.135 ( 3.505 -0.211 1.567) 3.845 7.458 ( 0.768 0.041 -0.076) 0.773 8.158 ( 1.742 -1.471 -5.027) 5.520 8.347 ( 2.884 0.740 2.478) 3.874 8.578 ( -6.681 -7.516 1.574) 10.178 9.274 ( 3.244 10.338 10.988) 15.432 9.572 ( -4.105 -0.367 2.125) 4.637 14.370 ( -5.165 -2.541 -13.005) 14.222 14.666 ( 6.961 -3.369 10.112) 12.730 15.758 ( -11.013 -7.116 12.769) 18.302 16.173 ( -6.807 21.105 21.912) 31.175 18.814 ( 2.659 0.107 -2.810) 3.870 20.025 ( 12.539 -7.831 -26.896) 30.691 ======================= Grid point 153 (73/226) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -6.958 -0.009 -5.423) 8.822 1.614 ( -10.317 -15.599 -12.982) 22.766 1.865 ( -4.386 -0.599 3.716) 5.780 2.673 ( -5.657 0.554 -4.300) 7.127 2.779 ( -3.042 1.492 9.593) 10.174 3.462 ( 5.366 0.982 -5.918) 8.049 3.760 ( -2.875 -9.250 -5.388) 11.085 4.287 ( -5.234 5.452 -7.808) 10.867 4.737 ( -4.756 -2.976 6.786) 8.804 4.920 ( 5.145 -3.270 5.838) 8.440 5.468 ( 4.470 10.062 -14.208) 17.975 6.136 ( -0.392 -3.755 -3.180) 4.937 7.496 ( 2.964 1.028 0.264) 3.148 8.170 ( 1.907 2.045 -1.574) 3.209 8.394 ( -2.524 -6.950 7.300) 10.391 8.469 ( 3.030 2.205 -4.136) 5.581 9.438 ( 1.397 -4.408 6.837) 8.254 9.542 ( -1.544 7.964 4.013) 9.051 14.145 ( -7.661 -2.106 -12.902) 15.152 14.732 ( -5.063 -6.947 13.674) 16.152 15.648 ( 1.722 -9.413 11.442) 14.916 16.401 ( -7.037 20.533 16.402) 27.206 18.863 ( 3.851 1.267 -1.814) 4.441 20.019 ( 13.045 -3.487 -24.474) 27.951 ======================= Grid point 154 (74/226) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -9.535 -20.024 -14.884) 26.710 1.228 ( -16.239 3.681 -8.364) 18.633 1.764 ( -10.235 -1.308 5.850) 11.861 2.543 ( -6.394 -0.238 -2.694) 6.942 2.775 ( -5.638 -0.806 10.296) 11.766 3.517 ( 4.016 -2.723 -3.778) 6.149 3.684 ( 2.403 1.405 -0.289) 2.799 4.117 ( -12.365 1.796 -6.347) 14.014 4.680 ( -3.561 -0.966 3.556) 5.124 4.988 ( 3.049 -4.413 4.389) 6.931 5.616 ( 7.228 13.012 -8.894) 17.339 6.027 ( -2.906 -5.816 -5.032) 8.222 7.568 ( 4.027 1.305 -0.569) 4.271 8.231 ( 0.793 5.139 1.439) 5.395 8.308 ( -1.464 -7.709 4.176) 8.888 8.586 ( 7.054 5.842 -3.899) 9.954 9.379 ( 0.048 -8.981 0.895) 9.025 9.666 ( 1.114 5.529 5.703) 8.021 13.932 ( -7.297 -0.003 -10.324) 12.642 14.550 ( -15.857 -8.341 13.621) 22.506 15.779 ( 13.837 -9.577 11.590) 20.433 16.508 ( -7.762 10.395 8.018) 15.251 18.933 ( 3.657 1.668 -1.337) 4.236 20.089 ( 11.370 4.552 -18.684) 22.340 ======================= Grid point 155 (75/226) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -11.568 -16.714 -8.579) 22.063 0.949 ( -19.861 10.532 -6.786) 23.483 1.575 ( -15.649 -3.089 9.644) 18.640 2.445 ( -3.796 -0.298 0.274) 3.818 2.710 ( -6.932 -4.765 11.091) 13.920 3.533 ( 1.257 1.969 0.602) 2.412 3.797 ( 4.242 4.174 0.609) 5.983 3.876 ( -10.918 -0.749 -4.948) 12.010 4.648 ( -1.834 -0.185 3.159) 3.658 4.994 ( 0.215 -3.975 1.954) 4.435 5.713 ( -2.432 1.178 -12.274) 12.568 5.988 ( 4.953 5.518 5.713) 9.360 7.639 ( 3.867 0.905 -1.785) 4.355 8.254 ( 0.344 -5.574 1.449) 5.770 8.296 ( -1.414 5.221 3.156) 6.263 8.757 ( 9.311 7.029 -5.210) 12.777 9.314 ( 2.230 -7.339 -1.158) 7.757 9.725 ( -0.047 -0.898 1.809) 2.020 13.782 ( -5.927 3.457 -6.358) 9.354 14.277 ( -16.220 -7.925 12.457) 21.933 16.005 ( 14.231 -10.518 11.210) 20.948 16.445 ( -5.702 -2.945 -1.457) 6.581 18.991 ( 2.579 1.082 -1.477) 3.163 20.250 ( 8.304 13.756 -10.394) 19.137 ======================= Grid point 158 (76/226) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -13.379 6.804 7.706) 16.872 1.187 ( -16.582 -1.696 19.595) 25.725 1.499 ( 1.959 12.741 17.068) 21.389 2.551 ( -2.486 0.252 7.115) 7.541 2.714 ( 3.829 12.452 7.416) 14.990 3.526 ( 2.080 -5.812 1.091) 6.268 3.781 ( 0.557 -3.055 -3.759) 4.876 3.817 ( -6.980 -0.089 4.882) 8.518 4.791 ( -1.380 -3.269 4.404) 5.655 4.967 ( 5.366 4.702 0.425) 7.147 5.389 ( -8.148 6.189 -0.763) 10.260 6.396 ( 3.709 -15.645 2.178) 16.225 7.646 ( 2.312 -6.128 -0.888) 6.610 8.192 ( 2.512 -0.335 -0.848) 2.672 8.294 ( -0.922 2.027 0.775) 2.358 8.938 ( -3.875 -8.611 -1.368) 9.541 9.287 ( 2.560 4.265 -6.588) 8.256 9.561 ( 2.250 9.158 -5.051) 10.698 13.711 ( -3.677 -4.186 4.446) 7.128 14.334 ( -3.357 16.863 14.239) 22.325 16.054 ( 15.639 15.835 -13.651) 26.109 16.426 ( -6.321 4.046 2.684) 7.971 18.958 ( 1.060 -3.141 -3.367) 4.725 20.336 ( -1.403 -26.349 -1.033) 26.407 ======================= Grid point 159 (77/226) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -2.025 -1.249 17.043) 17.209 1.052 ( -9.577 -2.844 19.089) 21.545 1.757 ( 3.517 9.635 12.643) 16.280 2.567 ( -1.504 0.968 6.599) 6.837 2.949 ( 1.210 14.460 6.137) 15.755 3.523 ( 3.068 -7.457 -0.909) 8.115 3.700 ( -3.283 0.502 2.186) 3.976 3.791 ( 3.410 -5.695 -0.246) 6.642 4.752 ( -1.570 -2.316 0.003) 2.798 5.086 ( 1.664 4.469 1.702) 5.064 5.340 ( -0.015 -0.507 -0.163) 0.533 6.283 ( -0.470 -14.333 2.326) 14.528 7.603 ( 1.281 -6.689 -1.701) 7.019 8.224 ( 1.919 -0.226 -1.378) 2.374 8.307 ( 0.518 0.211 -1.436) 1.541 8.800 ( -4.093 -2.159 2.488) 5.253 9.310 ( -2.346 4.152 -2.648) 5.454 9.641 ( 1.356 8.979 -6.588) 11.219 13.686 ( 1.777 -4.103 5.707) 7.250 14.577 ( -1.413 21.003 15.518) 26.152 16.220 ( -15.316 13.482 -12.536) 23.947 16.408 ( 8.097 9.966 -3.635) 13.345 18.917 ( 1.080 -4.241 -3.914) 5.871 20.064 ( 5.116 -33.838 0.563) 34.228 ======================= Grid point 160 (78/226) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 9.373 -2.837 16.845) 19.485 1.096 ( 5.458 -1.924 13.683) 14.857 1.950 ( 2.332 5.793 8.668) 10.683 2.602 ( -0.066 0.568 6.134) 6.161 3.073 ( -5.645 11.625 6.032) 14.261 3.433 ( -1.162 -8.616 -7.807) 11.685 3.731 ( 4.303 2.707 -1.909) 5.430 3.839 ( 8.280 -8.043 4.612) 12.431 4.695 ( -0.362 -3.368 -4.058) 5.286 5.123 ( -3.932 4.607 3.513) 7.002 5.380 ( 9.206 -8.030 -0.123) 12.217 6.155 ( -3.795 -7.215 2.524) 8.534 7.546 ( 0.680 -5.780 -2.143) 6.202 8.224 ( 1.280 -2.735 -2.029) 3.638 8.280 ( -0.300 -2.205 -4.145) 4.705 8.823 ( -0.823 7.285 8.170) 10.977 9.245 ( -7.468 3.492 -2.964) 8.761 9.699 ( -0.050 7.043 -3.328) 7.790 13.762 ( 6.837 -3.200 6.130) 9.725 14.858 ( -2.899 22.103 14.142) 26.399 15.955 ( -18.834 15.494 -11.987) 27.174 16.576 ( 2.198 2.282 5.285) 6.162 18.862 ( 0.576 -4.311 -4.538) 6.286 19.859 ( 10.181 -31.520 -7.769) 34.022 ======================= Grid point 161 (79/226) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 14.293 0.548 5.551) 15.343 1.320 ( 10.536 -1.169 11.627) 15.734 2.054 ( 1.276 1.583 3.063) 3.676 2.653 ( 1.605 -0.663 5.574) 5.838 3.092 ( -8.801 9.389 3.990) 13.473 3.260 ( 0.932 -9.815 -9.384) 13.610 3.843 ( 7.776 2.624 -4.702) 9.458 3.931 ( 7.787 -8.100 3.281) 11.705 4.627 ( 0.857 -4.874 -4.959) 7.006 5.109 ( -5.179 2.815 5.282) 7.915 5.462 ( 11.170 -10.717 -1.744) 15.578 6.062 ( -5.209 0.566 3.281) 6.182 7.492 ( 0.401 -4.260 -1.962) 4.707 8.191 ( 3.016 -7.773 -5.306) 9.883 8.230 ( -2.168 2.001 -0.912) 3.088 8.980 ( 1.049 9.560 11.341) 14.870 9.103 ( -10.365 3.635 -3.753) 11.608 9.729 ( -2.012 4.904 -0.129) 5.302 13.923 ( 10.890 -2.960 6.165) 12.859 14.990 ( -11.608 15.315 1.534) 19.278 15.866 ( -7.552 22.948 1.816) 24.227 16.589 ( -6.464 -5.102 15.160) 17.253 18.800 ( 0.339 -3.743 -4.667) 5.992 19.685 ( 12.796 -26.585 -19.102) 35.149 ======================= Grid point 162 (80/226) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 6.806 -3.754 8.165) 11.273 1.545 ( 11.545 5.335 -0.382) 12.724 2.052 ( 0.133 -4.222 -4.980) 6.530 2.704 ( 2.175 -2.137 3.494) 4.638 2.969 ( -7.879 -0.123 -2.305) 8.210 3.254 ( 4.707 1.839 -2.984) 5.868 3.925 ( 6.759 -12.855 -3.016) 14.833 3.999 ( 6.270 5.766 -5.564) 10.174 4.598 ( 3.307 -3.790 0.839) 5.099 5.069 ( -5.875 0.439 5.905) 8.341 5.494 ( 5.572 -7.051 -6.387) 11.025 6.047 ( -1.499 2.858 4.111) 5.227 7.454 ( 0.345 -2.602 -1.311) 2.934 8.124 ( 0.713 -4.121 -4.898) 6.440 8.241 ( 1.926 0.258 0.456) 1.996 8.900 ( -11.296 -2.276 -0.047) 11.523 9.194 ( 1.556 12.937 8.985) 15.827 9.720 ( -3.974 2.574 1.559) 4.985 14.134 ( 13.126 -3.460 5.572) 14.673 14.829 ( -14.773 7.260 -8.249) 18.411 16.083 ( -5.578 22.862 12.943) 26.857 16.495 ( -10.451 -3.126 21.760) 24.342 18.751 ( 1.179 -2.600 -4.139) 5.028 19.539 ( 15.701 -21.452 -27.219) 38.047 ======================= Grid point 163 (81/226) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -1.502 -1.090 2.261) 2.925 1.738 ( 6.273 -2.495 -0.747) 6.792 1.913 ( -1.636 -7.120 -9.374) 11.885 2.721 ( 1.916 -2.001 -1.751) 3.277 2.891 ( -3.560 2.816 4.081) 6.104 3.329 ( 3.078 3.817 -5.465) 7.342 3.827 ( -0.015 -10.280 -5.573) 11.693 4.150 ( 9.600 4.212 -6.563) 12.369 4.682 ( 6.358 -1.557 6.278) 9.071 4.989 ( -7.279 -2.039 5.728) 9.484 5.446 ( -0.232 1.465 -10.934) 11.034 6.090 ( 1.661 -0.665 2.388) 2.984 7.439 ( 0.847 -1.133 -0.463) 1.489 8.093 ( 1.640 -0.190 -3.374) 3.756 8.299 ( 4.137 -0.048 1.288) 4.333 8.680 ( -11.018 -4.255 0.940) 11.848 9.388 ( 1.574 8.616 8.887) 12.478 9.668 ( -5.067 0.761 1.615) 5.372 14.322 ( 6.712 -1.442 -1.045) 6.944 14.625 ( -6.018 0.668 -2.484) 6.545 16.042 ( -17.434 -5.720 16.295) 24.539 16.618 ( -5.249 20.940 19.188) 28.883 18.745 ( 2.901 -0.684 -2.996) 4.226 19.472 ( 18.963 -14.331 -28.308) 36.964 ======================= Grid point 164 (82/226) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -7.656 -9.021 -8.392) 14.506 1.592 ( -5.782 -5.354 -5.369) 9.535 1.915 ( 1.183 1.019 3.029) 3.408 2.710 ( -0.851 -0.339 -2.697) 2.848 2.910 ( -3.035 2.445 7.467) 8.423 3.364 ( 2.911 3.600 -7.705) 8.989 3.701 ( -1.606 -4.803 -3.884) 6.382 4.288 ( 5.621 4.175 -6.505) 9.557 4.816 ( 5.489 -2.935 7.329) 9.615 4.866 ( -7.507 -3.098 4.065) 9.081 5.429 ( 2.114 10.071 -12.584) 16.256 6.088 ( -0.292 -4.223 -0.364) 4.249 7.458 ( 2.252 -0.050 -0.089) 2.255 8.138 ( 3.505 4.213 -2.381) 5.975 8.390 ( 5.335 0.296 1.778) 5.632 8.475 ( -8.648 -5.837 2.842) 10.813 9.457 ( -3.718 -3.948 5.237) 7.539 9.646 ( -0.553 5.199 2.670) 5.870 14.228 ( -9.720 4.037 -10.996) 15.221 14.693 ( 8.665 -6.947 10.430) 15.236 15.765 ( -15.430 -10.311 15.124) 23.940 16.780 ( -7.975 13.008 9.021) 17.725 18.796 ( 4.183 1.351 -1.650) 4.696 19.561 ( 20.262 -1.923 -21.150) 29.352 ======================= Grid point 165 (83/226) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -12.222 -9.846 -8.532) 17.864 1.450 ( -9.582 4.572 -3.445) 11.161 1.921 ( -4.696 0.298 5.253) 7.052 2.635 ( -5.635 0.249 -2.745) 6.273 2.902 ( -4.431 -2.501 8.602) 9.995 3.422 ( 4.759 3.349 -5.231) 7.825 3.668 ( 1.222 3.071 -0.421) 3.332 4.274 ( -7.392 2.208 -5.515) 9.483 4.768 ( -4.365 0.140 2.197) 4.889 4.886 ( 4.694 -6.754 4.560) 9.405 5.566 ( 7.262 15.165 -10.683) 19.921 6.002 ( -2.898 -5.556 -0.930) 6.335 7.507 ( 3.534 0.318 -0.712) 3.619 8.245 ( 3.113 7.251 -3.071) 8.467 8.329 ( -3.999 -5.270 4.354) 7.920 8.505 ( 6.005 0.862 2.667) 6.627 9.327 ( -4.269 -9.378 1.154) 10.368 9.714 ( 0.719 2.081 2.440) 3.286 14.043 ( -9.698 5.891 -8.567) 14.218 14.746 ( -4.647 -8.660 12.488) 15.891 15.617 ( 0.915 -9.575 12.932) 16.117 16.699 ( -8.847 -3.110 -3.625) 10.054 18.874 ( 4.199 1.577 -1.463) 4.718 19.833 ( 17.357 12.278 -10.667) 23.786 ======================= Grid point 166 (84/226) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -12.346 6.430 4.784) 14.719 1.296 ( -13.804 9.500 -4.133) 17.259 1.830 ( -10.606 -0.476 7.065) 12.753 2.528 ( -5.453 0.795 -0.509) 5.534 2.824 ( -5.901 -6.740 8.701) 12.489 3.514 ( 5.018 3.796 -2.010) 6.605 3.780 ( 3.502 7.485 2.540) 8.645 4.056 ( -13.671 -0.742 -4.350) 14.366 4.723 ( -3.906 1.057 2.541) 4.778 4.923 ( 4.190 -5.288 1.428) 6.897 5.708 ( -0.798 5.483 -8.103) 9.817 5.973 ( 5.198 4.496 1.268) 6.988 7.565 ( 3.925 -0.042 -1.595) 4.237 8.223 ( -1.647 -3.991 1.230) 4.489 8.382 ( 0.686 6.583 1.215) 6.729 8.644 ( 7.530 2.582 0.433) 7.972 9.196 ( 0.730 -8.879 -1.567) 9.046 9.718 ( -0.783 -3.372 0.259) 3.471 13.922 ( -7.880 8.785 -4.989) 12.813 14.553 ( -15.426 -8.443 12.609) 21.639 15.745 ( 12.626 -9.236 11.140) 19.204 16.426 ( -6.561 -13.650 -10.179) 18.248 18.939 ( 3.360 0.873 -1.888) 3.952 20.194 ( 12.034 18.866 -4.777) 22.881 ======================= Grid point 169 (85/226) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -14.378 8.513 -0.325) 16.713 1.546 ( -11.943 3.581 12.573) 17.707 1.660 ( -1.697 3.194 11.508) 12.063 2.637 ( -1.581 0.058 7.144) 7.317 2.831 ( 2.140 12.074 6.899) 14.069 3.463 ( -1.664 -4.214 -4.162) 6.152 3.678 ( 1.494 -4.283 -0.391) 4.553 4.044 ( -11.217 0.375 5.593) 12.539 4.792 ( -0.257 -2.548 -1.645) 3.044 4.928 ( 3.991 2.483 4.746) 6.680 5.558 ( -9.462 0.106 -2.071) 9.687 6.214 ( 5.147 -8.396 -1.047) 9.904 7.543 ( 1.807 -5.703 -1.331) 6.129 8.149 ( 1.592 -0.239 -0.112) 1.613 8.347 ( -3.223 0.311 1.592) 3.608 8.914 ( 0.932 -3.732 2.131) 4.397 9.199 ( 6.867 6.404 -9.256) 13.185 9.576 ( 1.994 4.445 0.465) 4.894 13.814 ( -9.616 -2.724 3.741) 10.672 14.639 ( -1.745 17.123 13.158) 21.666 15.854 ( 15.522 16.389 -13.679) 26.394 16.480 ( 6.809 -3.533 15.198) 17.025 18.879 ( 0.609 -4.552 -4.397) 6.358 20.156 ( -8.963 -21.095 -11.404) 25.601 ======================= Grid point 170 (86/226) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -12.280 4.545 5.414) 14.169 1.363 ( -16.348 -3.896 16.148) 23.307 1.821 ( 4.999 4.670 7.540) 10.181 2.655 ( -2.193 1.134 6.602) 7.049 3.057 ( 4.969 12.696 4.026) 14.215 3.406 ( 1.664 -5.742 -0.860) 6.040 3.654 ( 2.901 -7.222 -1.467) 7.920 3.864 ( -11.796 -1.994 4.607) 12.820 4.734 ( -1.232 -3.235 -5.859) 6.805 5.045 ( 5.055 -0.066 3.586) 6.198 5.377 ( -6.507 -4.817 -0.824) 8.137 6.208 ( 1.063 -4.696 3.065) 5.708 7.499 ( 1.485 -6.504 -2.115) 6.999 8.175 ( 1.594 -0.964 -1.227) 2.231 8.299 ( -1.434 -1.330 -1.768) 2.637 8.908 ( -2.670 2.825 7.173) 8.158 9.326 ( 4.008 6.498 -3.841) 8.547 9.649 ( 1.863 6.514 -4.784) 8.294 13.701 ( -3.760 -3.238 5.397) 7.332 14.907 ( 0.024 22.614 14.072) 26.635 16.213 ( 14.971 17.600 -12.293) 26.173 16.549 ( -6.759 4.879 2.599) 8.731 18.805 ( 1.568 -7.855 -4.517) 9.196 19.708 ( -4.321 -33.558 -4.711) 34.161 ======================= Grid point 171 (87/226) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -1.340 -0.679 15.144) 15.219 1.186 ( -9.424 -4.762 13.707) 17.302 1.975 ( 4.577 1.265 4.357) 6.444 2.669 ( -2.087 1.344 5.407) 5.949 3.213 ( 2.001 -0.243 -4.221) 4.678 3.376 ( -2.370 1.417 3.219) 4.241 3.629 ( 5.386 -10.229 -0.578) 11.575 3.730 ( -3.168 -0.002 1.747) 3.618 4.615 ( -0.487 -7.020 -8.885) 11.334 5.136 ( 6.054 -4.628 3.481) 8.377 5.272 ( -3.507 -1.249 2.773) 4.642 6.198 ( -2.203 -0.548 4.483) 5.025 7.448 ( 1.673 -6.096 -2.607) 6.838 8.133 ( -0.165 -5.531 -3.123) 6.354 8.283 ( 0.074 1.715 -2.106) 2.717 8.984 ( -1.321 7.386 10.651) 13.029 9.371 ( -3.811 6.162 -2.517) 7.670 9.716 ( 2.418 7.024 -5.437) 9.206 13.694 ( 2.057 -3.151 6.368) 7.397 15.233 ( -1.408 26.690 13.076) 29.754 16.341 ( -15.586 13.621 -9.206) 22.654 16.544 ( 6.502 8.525 -2.853) 11.095 18.737 ( 3.901 -9.491 -4.355) 11.147 19.341 ( 4.439 -37.517 -3.580) 37.947 ======================= Grid point 172 (88/226) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 4.131 -1.329 11.703) 12.481 1.211 ( 8.606 -2.608 12.572) 15.457 2.031 ( 1.969 -4.097 -0.811) 4.617 2.682 ( -1.242 0.735 3.996) 4.248 3.074 ( -0.482 -14.216 -8.955) 16.808 3.370 ( -9.148 9.681 5.768) 14.515 3.639 ( 7.591 -8.360 -2.834) 11.642 3.797 ( 7.039 1.480 0.310) 7.199 4.503 ( 2.433 -8.293 -6.104) 10.581 5.206 ( 6.641 -9.947 5.242) 13.058 5.247 ( -3.049 4.509 1.863) 5.754 6.180 ( -4.130 2.050 4.117) 6.182 7.409 ( 2.043 -4.913 -2.507) 5.882 8.065 ( 1.194 -5.422 -2.889) 6.258 8.276 ( -1.786 2.022 -1.702) 3.190 9.113 ( -0.006 4.533 10.424) 11.367 9.307 ( -8.617 9.445 -3.676) 13.303 9.785 ( 0.714 5.795 -2.219) 6.247 13.782 ( 6.906 -3.466 6.781) 10.280 15.415 ( -15.531 23.263 -1.202) 27.997 16.236 ( -7.168 21.576 3.988) 23.083 16.669 ( 1.021 -0.198 6.143) 6.230 18.695 ( 4.169 -7.358 -4.720) 9.685 19.062 ( 9.999 -35.977 -11.749) 39.145 ======================= Grid point 173 (89/226) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 11.855 1.188 3.448) 12.403 1.442 ( 9.479 -0.183 9.146) 13.174 1.945 ( -0.377 -10.037 -7.993) 12.837 2.684 ( -0.568 -1.007 0.591) 1.298 2.911 ( 1.759 -9.811 -3.456) 10.550 3.363 ( -6.328 9.954 3.851) 12.408 3.669 ( 7.919 -9.090 -2.983) 12.419 3.918 ( 5.124 2.473 -3.115) 6.487 4.480 ( 5.957 -5.614 -0.431) 8.197 5.193 ( -3.153 -2.363 4.172) 5.738 5.303 ( 5.570 -2.827 1.277) 6.375 6.152 ( -4.502 2.612 2.769) 5.895 7.391 ( 2.277 -3.339 -1.921) 4.475 8.038 ( 2.210 -3.391 -1.375) 4.275 8.250 ( -1.703 1.295 -1.152) 2.430 9.072 ( -10.014 -0.659 0.073) 10.036 9.350 ( -0.346 12.041 4.584) 12.889 9.810 ( -2.460 3.237 0.274) 4.075 13.936 ( 10.552 -4.183 6.720) 13.191 15.186 ( -22.976 14.623 -13.049) 30.200 16.501 ( -7.186 18.572 18.997) 27.522 16.694 ( 0.599 3.804 13.171) 13.722 18.672 ( 2.536 -3.480 -3.651) 5.645 18.837 ( 16.353 -31.320 -22.817) 42.059 ======================= Grid point 174 (90/226) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 6.394 -2.119 7.509) 10.087 1.595 ( 3.618 -2.108 -3.626) 5.539 1.785 ( 2.594 -4.404 -9.587) 10.865 2.663 ( 0.911 -0.149 -3.186) 3.317 2.907 ( 3.535 -2.752 3.480) 5.673 3.382 ( -3.923 7.734 -0.799) 8.708 3.682 ( 4.579 -6.418 -2.416) 8.246 3.993 ( 6.546 0.143 -4.089) 7.719 4.585 ( 8.112 -0.622 3.382) 8.810 5.122 ( -5.779 -2.023 3.402) 7.005 5.364 ( 3.960 -1.135 -1.755) 4.478 6.117 ( -3.157 0.791 1.465) 3.569 7.394 ( 2.238 -1.827 -1.100) 3.091 8.053 ( 2.065 0.171 -0.089) 2.074 8.247 ( 1.672 -0.141 -0.140) 1.684 8.860 ( -12.945 -0.828 -1.616) 13.072 9.490 ( 1.205 7.168 5.220) 8.948 9.765 ( -4.997 -0.081 0.827) 5.065 14.131 ( 12.445 -4.449 6.052) 14.536 14.858 ( -19.508 10.246 -12.610) 25.388 16.385 ( -17.331 -9.775 19.458) 27.831 16.984 ( -2.691 20.028 12.920) 23.985 18.674 ( 2.952 -0.234 -2.162) 3.666 18.780 ( 24.588 -17.154 -24.031) 38.423 ======================= Grid point 175 (91/226) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -8.410 -6.665 -5.187) 11.918 1.604 ( 0.689 -0.785 3.580) 3.729 1.884 ( 6.276 4.339 -1.682) 7.813 2.678 ( 1.834 0.774 -2.490) 3.188 2.987 ( 2.009 1.952 5.933) 6.561 3.349 ( -2.584 2.921 -6.773) 7.815 3.675 ( 0.053 0.375 -1.471) 1.519 4.118 ( 11.353 -0.520 -3.596) 11.920 4.739 ( 5.995 0.404 3.609) 7.010 5.004 ( -7.720 -2.422 2.510) 8.471 5.408 ( 2.793 5.233 -5.082) 7.811 6.075 ( -2.174 -2.460 0.917) 3.408 7.415 ( 2.312 -0.718 -0.462) 2.465 8.114 ( 2.991 4.610 -1.044) 5.594 8.304 ( 5.156 -1.541 1.946) 5.722 8.623 ( -12.229 -2.132 -0.466) 12.422 9.537 ( -5.158 -2.239 4.394) 7.136 9.695 ( -1.002 0.563 -0.149) 1.159 14.306 ( 5.269 0.315 0.337) 5.290 14.619 ( -7.394 3.320 -4.043) 9.058 16.073 ( -19.955 -12.864 18.302) 29.977 17.007 ( -9.097 -0.647 -2.796) 9.539 18.730 ( 4.173 0.790 -1.403) 4.473 19.073 ( 27.605 8.116 -10.510) 30.632 ======================= Grid point 176 (92/226) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -11.016 2.633 0.962) 11.367 1.597 ( -4.467 3.610 0.513) 5.766 1.989 ( 1.543 2.161 3.263) 4.207 2.675 ( -1.045 -0.765 -1.926) 2.321 3.015 ( -6.162 -1.055 7.378) 9.671 3.341 ( 4.718 4.202 -7.797) 10.035 3.702 ( 0.618 6.584 0.478) 6.630 4.275 ( 7.263 1.749 -4.249) 8.595 4.778 ( -1.015 -3.941 0.159) 4.073 4.884 ( -4.677 -1.500 2.639) 5.575 5.535 ( 6.296 12.764 -5.976) 15.436 6.002 ( -3.028 -4.776 1.199) 5.780 7.451 ( 2.773 -0.209 -0.476) 2.821 8.229 ( 5.068 8.270 -4.384) 10.644 8.376 ( -1.771 -0.883 -1.654) 2.579 8.453 ( -0.457 -4.308 8.418) 9.467 9.360 ( -9.100 -9.025 1.352) 12.887 9.712 ( 1.146 -0.921 -0.067) 1.472 14.248 ( -10.723 10.091 -7.819) 16.672 14.677 ( 8.850 -6.640 8.018) 13.664 15.751 ( -15.513 -11.966 16.606) 25.683 16.704 ( -9.468 -15.371 -13.375) 22.468 18.805 ( 4.496 1.140 -1.436) 4.855 19.621 ( 22.458 21.405 -1.789) 31.077 ======================= Grid point 177 (93/226) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -9.295 11.831 8.264) 17.166 1.542 ( -7.961 7.329 -0.997) 10.867 2.007 ( -4.965 1.335 5.380) 7.441 2.613 ( -3.835 0.070 -1.164) 4.008 2.902 ( -6.294 -6.443 6.034) 10.842 3.436 ( 5.025 4.177 -4.274) 7.808 3.844 ( 3.331 11.508 3.963) 12.618 4.242 ( -10.130 1.520 -4.716) 11.277 4.763 ( 5.301 -1.348 -3.629) 6.564 4.826 ( -2.590 -3.647 4.793) 6.556 5.734 ( 3.256 11.355 -3.959) 12.458 5.932 ( 1.186 -1.423 -0.132) 1.857 7.495 ( 3.157 -0.378 -0.853) 3.292 8.255 ( -5.129 -1.658 -0.266) 5.397 8.375 ( 6.200 7.448 -6.649) 11.753 8.577 ( 5.946 -1.422 10.659) 12.287 9.128 ( -5.735 -10.064 -1.852) 11.730 9.690 ( -0.518 -4.614 -0.583) 4.680 14.141 ( -9.460 12.388 -5.024) 16.376 14.724 ( -3.689 -7.646 9.213) 12.528 15.611 ( 0.267 -9.815 15.103) 18.014 16.291 ( -6.603 -19.468 -14.574) 25.199 18.876 ( 3.726 0.974 -1.773) 4.240 20.142 ( 14.899 21.488 -2.049) 26.229 ======================= Grid point 180 (94/226) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -8.047 4.051 -1.279) 9.100 1.702 ( 0.606 3.710 2.185) 4.348 1.871 ( -11.587 -0.099 8.484) 14.361 2.676 ( 1.450 -1.134 5.548) 5.846 2.942 ( 2.409 10.428 4.434) 11.585 3.446 ( -2.886 -0.559 -7.799) 8.334 3.690 ( -7.678 -3.505 1.352) 8.548 4.194 ( -5.801 -5.931 0.099) 8.297 4.774 ( -1.083 2.021 -0.329) 2.316 4.942 ( 1.717 0.497 7.247) 7.464 5.673 ( -10.251 -6.082 -7.057) 13.852 6.038 ( 8.841 -0.763 -1.233) 8.959 7.468 ( 0.472 -4.165 -1.022) 4.314 8.142 ( -0.779 0.344 0.410) 0.945 8.422 ( -4.911 -1.900 1.671) 5.524 8.834 ( 7.127 -1.554 2.353) 7.664 9.101 ( 7.522 8.526 -4.950) 12.401 9.588 ( 1.532 1.714 3.627) 4.294 14.024 ( -14.784 -1.903 4.121) 15.465 14.834 ( 4.630 13.397 3.882) 14.696 15.727 ( 10.446 17.634 -4.545) 20.994 16.341 ( 15.846 -9.607 22.782) 29.366 18.809 ( -1.004 -3.988 -4.583) 6.158 20.069 ( -13.160 -15.212 -19.926) 28.313 ======================= Grid point 181 (95/226) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -11.425 3.839 -0.842) 12.083 1.690 ( -15.050 -3.422 10.164) 18.480 1.785 ( 4.505 1.039 1.003) 4.731 2.722 ( 0.218 -0.072 5.631) 5.635 3.099 ( 2.243 7.975 -0.362) 8.292 3.363 ( -0.329 -1.331 -0.963) 1.675 3.562 ( -2.542 -7.404 -0.970) 7.888 4.020 ( -6.754 -6.622 0.550) 9.475 4.717 ( -6.057 -1.403 -2.639) 6.754 5.014 ( 1.928 -1.337 6.254) 6.680 5.417 ( -6.077 -6.120 -4.541) 9.747 6.162 ( 4.985 1.016 1.797) 5.396 7.419 ( -0.087 -4.953 -1.236) 5.105 8.144 ( 0.329 -0.289 -1.128) 1.210 8.312 ( -3.828 -3.700 -0.311) 5.333 8.964 ( 5.078 2.314 3.786) 6.743 9.299 ( 6.011 11.588 -1.133) 13.103 9.650 ( 1.433 2.806 -0.131) 3.154 13.821 ( -9.854 -2.342 5.096) 11.338 15.119 ( 7.843 18.455 3.591) 20.372 16.100 ( 12.471 21.858 -3.496) 25.407 16.607 ( 7.511 -3.819 15.847) 17.948 18.692 ( -2.339 -8.397 -5.232) 10.166 19.506 ( -13.453 -26.535 -15.768) 33.670 ======================= Grid point 182 (96/226) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -8.623 0.935 5.162) 10.093 1.443 ( -16.002 -6.101 11.602) 20.685 1.873 ( 6.636 -3.317 -1.957) 7.673 2.747 ( -1.439 0.730 4.396) 4.683 3.088 ( -0.240 -9.041 -6.298) 11.021 3.438 ( 3.252 0.817 9.039) 9.640 3.468 ( 2.432 -1.191 -7.247) 7.736 3.863 ( -8.136 -2.234 2.311) 8.748 4.523 ( -6.487 -8.494 -4.438) 11.572 5.059 ( 2.074 -3.999 6.011) 7.512 5.325 ( -1.159 0.876 -1.033) 1.782 6.241 ( 1.285 1.689 2.732) 3.459 7.362 ( 0.183 -4.863 -1.364) 5.054 8.088 ( -2.130 -4.512 -2.508) 5.585 8.278 ( 0.919 1.146 -0.611) 1.591 9.087 ( 2.851 3.538 4.674) 6.518 9.472 ( 0.222 10.146 1.987) 10.341 9.699 ( 2.602 5.185 -4.477) 7.328 13.720 ( -3.759 -2.391 5.823) 7.332 15.490 ( 9.400 23.813 1.944) 25.675 16.463 ( 7.420 16.735 2.269) 18.446 16.674 ( -7.711 6.596 0.635) 10.167 18.500 ( 0.689 -21.341 -3.738) 21.677 19.007 ( -4.977 -25.881 -7.969) 27.533 ======================= Grid point 183 (97/226) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 2.503 -3.139 13.454) 14.040 1.232 ( -9.110 -5.706 10.128) 14.769 1.886 ( 4.411 -8.805 -6.162) 11.617 2.746 ( -2.298 1.087 2.497) 3.563 2.913 ( -1.392 -12.838 -4.555) 13.693 3.440 ( 4.928 -5.973 -2.798) 8.234 3.618 ( -0.330 10.558 4.664) 11.547 3.746 ( -3.074 -0.504 1.798) 3.597 4.343 ( -0.220 -11.194 -2.300) 11.430 5.092 ( 2.873 -5.264 5.700) 8.274 5.330 ( -1.019 3.368 -0.592) 3.568 6.273 ( -1.505 1.954 2.391) 3.435 7.320 ( 1.144 -4.071 -1.230) 4.404 8.004 ( -0.766 -3.921 -1.648) 4.321 8.302 ( -0.028 2.043 -1.233) 2.387 9.181 ( 1.612 1.611 4.188) 4.768 9.506 ( -5.969 8.174 -0.457) 10.132 9.794 ( 3.309 7.082 -3.052) 8.391 13.718 ( 1.796 -3.103 6.391) 7.328 15.841 ( -2.312 28.902 -8.306) 30.161 16.515 ( -7.531 9.541 -1.897) 12.303 16.732 ( -0.619 10.721 11.751) 15.919 18.292 ( 10.742 -36.565 -3.627) 38.282 18.730 ( -1.864 -12.550 -5.293) 13.748 ======================= Grid point 184 (98/226) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 4.198 -1.186 3.094) 5.348 1.333 ( 9.888 -4.156 15.398) 18.766 1.783 ( 0.690 -10.215 -7.729) 12.828 2.710 ( -2.993 -0.952 -0.477) 3.177 2.803 ( 0.916 -5.285 1.474) 5.563 3.456 ( 5.885 -5.156 -4.635) 9.094 3.605 ( -8.568 6.435 5.304) 11.956 3.845 ( 5.310 3.468 -0.458) 6.359 4.291 ( 7.164 -9.395 1.600) 11.923 5.124 ( 3.384 -6.235 4.670) 8.493 5.336 ( -1.765 3.378 -0.207) 3.817 6.260 ( -3.577 1.743 1.178) 4.150 7.308 ( 2.206 -2.833 -0.890) 3.699 7.976 ( 1.514 -1.919 0.202) 2.453 8.291 ( -2.206 1.437 -1.424) 2.993 9.192 ( -3.965 -0.732 1.059) 4.169 9.490 ( -3.228 8.425 -1.426) 9.134 9.865 ( -0.255 3.884 -0.994) 4.017 13.794 ( 6.425 -4.235 6.669) 10.183 15.684 ( -26.984 20.633 -20.135) 39.488 16.693 ( 6.677 1.864 1.821) 7.167 16.926 ( -1.184 21.364 27.398) 34.763 18.083 ( 15.071 -38.834 -13.866) 43.904 18.620 ( 0.185 -3.009 -2.316) 3.802 ======================= Grid point 185 (99/226) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 11.694 0.599 -0.996) 11.752 1.541 ( 6.838 -1.943 9.410) 11.793 1.663 ( -0.158 -2.717 -5.026) 5.716 2.666 ( -1.757 2.254 -1.402) 3.183 2.835 ( 4.268 -1.827 4.799) 6.677 3.457 ( 2.153 -2.652 -6.298) 7.165 3.600 ( -1.593 3.809 5.263) 6.689 3.899 ( 1.774 -1.122 -1.822) 2.780 4.428 ( 11.979 -1.599 3.997) 12.729 5.129 ( 1.286 -6.019 2.062) 6.491 5.343 ( -0.521 2.085 1.075) 2.403 6.206 ( -4.762 0.953 0.023) 4.856 7.326 ( 2.826 -1.484 -0.543) 3.238 8.019 ( 3.232 0.473 2.340) 4.018 8.249 ( -2.164 0.346 -1.370) 2.584 9.051 ( -10.975 0.108 -2.613) 11.282 9.543 ( 1.459 5.192 -0.295) 5.402 9.837 ( -4.116 -1.340 -0.447) 4.351 13.932 ( 10.204 -5.180 6.800) 13.312 15.276 ( -26.051 15.785 -18.332) 35.552 16.634 ( -10.447 -11.759 15.488) 22.075 17.266 ( -5.406 10.928 5.110) 13.220 18.052 ( 29.838 -12.303 -9.210) 33.563 18.629 ( 2.273 1.683 0.164) 2.833 ======================= Grid point 186 (100/226) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -1.593 1.767 -0.233) 2.391 1.591 ( 2.972 -2.164 8.203) 8.989 1.769 ( 9.354 6.016 -6.191) 12.728 2.666 ( -0.470 1.999 -1.005) 2.287 2.977 ( 6.714 5.289 5.754) 10.303 3.384 ( -3.983 -1.945 -5.218) 6.846 3.677 ( 2.662 3.719 1.623) 4.853 3.919 ( 6.095 -3.694 -0.610) 7.153 4.649 ( 9.414 2.685 2.824) 10.188 5.069 ( -2.863 -4.502 -0.682) 5.379 5.387 ( 2.507 2.614 1.842) 4.063 6.125 ( -4.798 -0.742 -0.045) 4.855 7.362 ( 2.804 -0.399 -0.260) 2.844 8.112 ( 2.990 3.990 2.125) 5.421 8.230 ( 1.965 -1.630 0.246) 2.565 8.821 ( -13.524 0.220 -3.915) 14.081 9.607 ( 0.576 1.592 1.211) 2.082 9.703 ( -5.598 -6.353 -1.783) 8.653 14.119 ( 12.808 -5.291 6.782) 15.428 14.913 ( -20.996 13.099 -14.624) 28.745 16.364 ( -16.843 -15.838 15.916) 28.069 17.028 ( -9.249 -15.464 -13.732) 22.655 18.566 ( 18.798 5.279 0.427) 19.530 18.802 ( 15.825 18.095 5.381) 24.634 ======================= Grid point 187 (101/226) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -7.539 5.386 3.079) 9.763 1.673 ( 0.525 1.362 4.797) 5.014 1.937 ( 8.448 4.003 -3.544) 9.998 2.658 ( -0.378 -1.392 -0.621) 1.570 3.191 ( -5.378 5.173 9.166) 11.819 3.242 ( 3.792 1.578 -8.893) 9.796 3.763 ( 1.365 7.661 0.343) 7.789 4.057 ( 13.560 -2.435 -0.150) 13.778 4.775 ( 1.225 0.781 -0.102) 1.456 4.949 ( -5.009 -3.294 -2.305) 6.423 5.523 ( 6.076 8.902 1.341) 10.861 6.032 ( -4.410 -3.374 1.171) 5.675 7.405 ( 2.456 0.162 -0.112) 2.464 8.194 ( 2.853 5.001 -4.292) 7.181 8.318 ( 6.814 -0.487 6.030) 9.111 8.575 ( -12.045 -0.864 -3.118) 12.472 9.455 ( -10.845 -9.233 1.541) 14.326 9.658 ( 2.419 -2.348 -1.978) 3.909 14.325 ( 10.357 -2.287 4.768) 11.629 14.660 ( -11.981 9.168 -8.778) 17.454 16.011 ( -16.832 -15.374 13.018) 26.252 16.589 ( -10.513 -21.313 -13.792) 27.477 18.732 ( 5.046 1.913 -0.029) 5.397 19.478 ( 23.897 27.377 5.008) 36.683 ======================= Grid point 188 (102/226) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -5.737 6.554 4.745) 9.919 1.696 ( -3.291 4.963 1.281) 6.091 2.067 ( 3.427 2.124 1.611) 4.342 2.625 ( -0.528 -2.557 -0.038) 2.612 2.997 ( -8.814 -5.985 -0.692) 10.677 3.406 ( 2.821 7.448 -0.551) 7.983 3.922 ( 4.511 12.821 2.964) 13.910 4.262 ( 8.914 1.658 -1.777) 9.239 4.692 ( -5.390 -2.801 -3.327) 6.925 4.861 ( -1.482 -1.778 -0.528) 2.374 5.749 ( 6.997 13.172 -2.413) 15.109 5.931 ( -4.056 -5.227 3.374) 7.427 7.445 ( 2.230 0.147 -0.155) 2.240 8.273 ( 5.644 2.902 -5.812) 8.606 8.359 ( -8.224 1.442 -3.397) 9.014 8.512 ( 8.155 -0.428 8.011) 11.439 9.177 ( -11.321 -10.187 1.455) 15.299 9.639 ( 0.505 -4.615 -1.092) 4.769 14.387 ( -7.381 10.944 -3.869) 13.756 14.646 ( 7.061 -3.227 2.157) 8.057 15.723 ( -10.662 -12.914 16.042) 23.190 16.122 ( -9.338 -21.112 -12.137) 26.081 18.819 ( 3.399 1.873 -0.671) 3.938 20.085 ( 16.444 23.072 -0.896) 28.347 ======================= Grid point 191 (103/226) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 1.415 -1.539 -0.926) 2.286 1.736 ( -4.192 -0.873 -2.705) 5.064 2.053 ( -4.744 -0.093 2.827) 5.523 2.653 ( 2.588 -1.171 4.497) 5.319 2.996 ( 5.894 8.536 3.426) 10.924 3.429 ( -2.846 -1.752 -8.559) 9.189 3.869 ( -14.317 1.068 -3.456) 14.767 4.140 ( -2.234 -11.111 -5.825) 12.743 4.852 ( 0.506 5.135 5.134) 7.278 4.947 ( 2.806 -1.160 6.563) 7.232 5.632 ( -1.148 -4.984 -17.524) 18.255 5.972 ( -0.066 0.619 5.743) 5.776 7.434 ( -0.634 -2.000 -1.024) 2.335 8.185 ( -3.130 1.506 -0.406) 3.497 8.453 ( 0.791 -1.235 -2.822) 3.180 8.728 ( 2.390 -6.181 6.066) 8.984 9.048 ( 8.200 10.113 2.207) 13.206 9.608 ( 1.235 1.649 4.576) 5.019 14.310 ( -17.345 -2.197 6.036) 18.496 14.764 ( 11.504 6.498 -9.949) 16.539 15.798 ( 5.809 16.132 10.894) 20.314 16.096 ( 18.099 -8.349 23.199) 30.585 18.783 ( -2.522 -1.890 -3.751) 4.899 20.036 ( -14.631 -10.435 -25.006) 30.794 ======================= Grid point 192 (104/226) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -5.620 0.696 -1.919) 5.980 1.657 ( 2.669 -5.275 -4.464) 7.408 1.958 ( -9.800 -0.670 3.987) 10.601 2.716 ( 2.618 -1.203 3.948) 4.887 3.169 ( -2.266 8.206 -1.650) 8.671 3.293 ( 3.332 -4.770 -6.202) 8.504 3.635 ( -12.119 -2.417 -0.433) 12.365 3.975 ( -0.613 -8.906 -3.487) 9.584 4.878 ( -7.701 2.605 5.670) 9.912 5.011 ( 1.583 -1.652 5.473) 5.932 5.397 ( -4.927 -6.384 -10.338) 13.112 6.087 ( 6.435 2.026 2.242) 7.109 7.390 ( -1.255 -2.431 -0.777) 2.844 8.149 ( -1.949 0.297 -1.473) 2.461 8.348 ( -5.111 -5.178 0.640) 7.303 8.842 ( 10.089 0.023 -0.276) 10.093 9.322 ( 7.842 12.625 3.607) 15.294 9.663 ( 0.306 1.101 3.541) 3.721 14.044 ( -15.134 -2.362 5.657) 16.328 15.014 ( 16.476 9.910 -10.854) 22.079 16.179 ( 9.251 17.199 13.074) 23.501 16.474 ( 15.205 -1.548 21.284) 26.203 18.669 ( -5.402 -3.999 -4.176) 7.913 19.426 ( -19.205 -20.067 -24.947) 37.334 ======================= Grid point 193 (105/226) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -8.676 -0.478 -0.455) 8.701 1.630 ( 0.171 -7.731 -1.750) 7.929 1.773 ( -9.205 -2.404 1.024) 9.569 2.761 ( 1.994 -1.552 2.099) 3.285 3.008 ( -5.421 -9.736 -4.658) 12.078 3.412 ( 0.719 4.556 -6.778) 8.199 3.462 ( -0.644 0.450 5.731) 5.785 3.899 ( -0.415 -3.969 -0.514) 4.023 4.679 ( -17.115 -5.146 6.059) 18.871 5.041 ( 0.734 -2.270 4.317) 4.932 5.302 ( 2.090 -0.008 -5.385) 5.776 6.211 ( 4.946 1.169 0.780) 5.142 7.339 ( -1.761 -2.289 0.145) 2.891 8.079 ( -3.100 -3.351 -2.306) 5.114 8.277 ( -0.416 -0.395 1.378) 1.492 9.009 ( 9.193 1.403 -2.305) 9.581 9.573 ( 4.363 11.865 3.690) 13.169 9.683 ( 0.205 0.584 0.278) 0.679 13.849 ( -9.795 -1.929 5.342) 11.322 15.362 ( 20.578 13.621 -13.239) 28.005 16.544 ( 8.809 3.670 17.459) 19.897 16.827 ( 4.715 16.995 12.036) 21.352 18.376 ( -15.943 -18.080 -9.630) 25.958 18.851 ( -7.575 -16.133 -12.625) 21.842 ======================= Grid point 194 (106/226) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -4.461 -3.526 5.216) 7.716 1.425 ( -13.130 -7.940 7.165) 16.934 1.702 ( 2.837 -4.861 -4.552) 7.239 2.779 ( 1.271 -1.309 -0.690) 1.951 2.823 ( -3.516 -8.675 0.869) 9.401 3.346 ( -0.663 -0.214 -4.669) 4.721 3.623 ( 6.543 4.780 3.054) 8.659 3.858 ( -2.683 0.024 1.311) 2.986 4.374 ( -14.650 -8.296 7.121) 18.280 5.053 ( 0.917 -3.021 3.589) 4.780 5.330 ( 2.512 1.958 -3.808) 4.964 6.281 ( 2.524 0.279 -0.688) 2.631 7.295 ( -1.505 -1.657 1.224) 2.551 7.988 ( -2.146 -2.854 -0.963) 3.699 8.304 ( 1.215 1.489 0.167) 1.929 9.133 ( 6.085 0.657 -2.367) 6.562 9.641 ( -3.604 2.344 0.790) 4.371 9.781 ( 4.707 7.552 -1.797) 9.079 13.747 ( -4.058 -2.475 5.500) 7.269 15.783 ( 22.307 18.291 -18.610) 34.329 16.697 ( -3.150 -0.682 5.527) 6.398 17.104 ( -8.070 27.609 16.835) 33.328 17.810 ( -5.000 -39.174 -6.174) 39.971 18.653 ( -1.816 -5.533 -3.203) 6.646 ======================= Grid point 195 (107/226) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -2.706 -5.303 6.321) 8.684 1.248 ( 2.084 -7.582 13.302) 15.452 1.684 ( 0.538 -0.476 -0.870) 1.129 2.739 ( -1.648 -3.002 3.663) 5.015 2.778 ( 0.392 -0.420 -1.025) 1.175 3.322 ( 2.043 -1.388 -5.235) 5.789 3.754 ( 1.861 -0.711 1.711) 2.626 3.855 ( -1.280 7.059 2.371) 7.556 4.171 ( -3.998 -8.593 8.773) 12.915 5.060 ( 1.498 -4.124 3.005) 5.318 5.358 ( 1.144 1.871 -3.180) 3.863 6.294 ( 0.271 -0.326 -2.092) 2.135 7.276 ( -0.477 -0.722 1.919) 2.105 7.953 ( 0.189 -0.676 0.851) 1.103 8.323 ( -0.737 1.341 -0.643) 1.660 9.190 ( 2.585 -1.249 -2.175) 3.602 9.595 ( -3.898 3.338 -2.859) 5.874 9.876 ( 1.798 3.158 -2.671) 4.510 13.730 ( 1.201 -3.796 5.908) 7.125 16.072 ( -3.476 21.551 -29.406) 36.623 16.589 ( 0.256 4.331 -5.909) 7.331 17.336 ( -2.647 -1.315 42.480) 42.583 17.457 ( 5.029 -21.279 -12.696) 25.284 18.599 ( -0.387 -0.324 0.481) 0.697 ======================= Grid point 196 (108/226) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 6.133 -1.499 -0.737) 6.357 1.425 ( 10.825 -5.954 14.350) 18.935 1.697 ( -2.651 4.705 2.438) 5.925 2.727 ( -2.146 1.824 0.559) 2.872 2.807 ( 2.520 1.840 5.186) 6.053 3.316 ( 3.834 -2.234 -6.436) 7.817 3.734 ( -4.442 0.711 4.138) 6.112 3.880 ( -0.656 -1.276 -0.122) 1.440 4.254 ( 9.836 0.652 9.433) 13.644 5.059 ( 1.618 -5.178 1.846) 5.730 5.366 ( 0.233 1.141 -1.952) 2.273 6.260 ( -1.842 -0.640 -2.849) 3.452 7.290 ( 0.745 0.298 2.060) 2.211 7.993 ( 2.658 1.374 2.843) 4.128 8.294 ( -3.070 0.569 -1.105) 3.312 9.154 ( -3.371 -2.099 -3.259) 5.138 9.556 ( -1.112 3.186 -4.967) 6.005 9.864 ( -1.926 -2.020 -2.430) 3.700 13.787 ( 5.944 -5.147 6.415) 10.148 15.741 ( -25.573 14.244 -24.845) 38.394 16.685 ( 1.642 -5.013 2.438) 5.811 17.158 ( 6.437 -26.910 -21.037) 34.759 17.779 ( 10.000 18.833 35.189) 41.145 18.639 ( 1.436 4.666 3.132) 5.801 ======================= Grid point 197 (109/226) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 14.337 2.696 -5.015) 15.427 1.599 ( 4.675 -4.345 8.672) 10.768 1.711 ( -1.408 5.705 0.625) 5.910 2.701 ( -1.759 0.205 -0.567) 1.860 2.972 ( 5.427 8.261 6.506) 11.833 3.330 ( 4.152 -1.166 -4.835) 6.479 3.690 ( -1.963 -3.018 4.558) 5.808 3.868 ( 0.068 0.496 1.235) 1.332 4.525 ( 11.200 4.716 6.172) 13.629 5.030 ( 0.324 -5.453 -0.429) 5.480 5.385 ( 2.000 1.341 1.273) 2.724 6.188 ( -3.646 -0.971 -2.730) 4.657 7.329 ( 1.523 1.129 1.810) 2.620 8.100 ( 4.700 2.797 4.443) 7.046 8.231 ( -3.218 -0.132 -1.537) 3.569 8.995 ( -9.893 -1.018 -5.639) 11.433 9.552 ( 2.511 -0.648 -5.879) 6.426 9.751 ( -5.938 -5.057 -0.053) 7.800 13.911 ( 10.205 -5.923 6.943) 13.691 15.308 ( -22.809 10.945 -19.582) 31.993 16.483 ( -10.470 -18.407 -0.936) 21.197 16.881 ( -2.979 -16.013 -11.131) 19.728 18.397 ( 16.884 14.361 16.727) 27.769 18.823 ( 8.695 16.258 8.874) 20.462 ======================= Grid point 198 (110/226) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.252 4.363 -2.267) 4.923 1.631 ( 8.526 -2.418 4.581) 9.976 1.787 ( 5.481 3.257 -5.024) 8.117 2.666 ( -1.727 -1.459 0.495) 2.314 3.132 ( 4.226 1.293 -7.726) 8.901 3.370 ( -1.575 5.587 7.132) 9.195 3.722 ( 7.920 -2.406 0.759) 8.312 3.928 ( 2.650 4.464 5.478) 7.547 4.733 ( 5.294 3.200 0.543) 6.210 4.953 ( -2.360 -4.890 -2.834) 6.125 5.512 ( 6.677 6.001 5.395) 10.474 6.088 ( -4.751 -2.067 -1.508) 5.396 7.379 ( 1.566 1.521 1.372) 2.578 8.181 ( -0.604 -0.403 -2.071) 2.195 8.252 ( 6.090 3.446 4.743) 8.453 8.754 ( -12.657 -0.092 -7.177) 14.551 9.493 ( -2.529 -9.093 -4.124) 10.300 9.623 ( -3.572 -1.632 1.623) 4.249 14.099 ( 13.533 -5.756 7.086) 16.324 14.954 ( -17.519 9.244 -15.351) 25.060 16.078 ( -9.872 -17.596 -11.254) 23.102 16.569 ( -13.199 -17.825 5.914) 22.955 18.688 ( 4.868 4.523 3.840) 7.675 19.414 ( 21.301 27.753 10.071) 36.406 ======================= Grid point 199 (111/226) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -3.584 0.770 0.298) 3.678 1.765 ( 0.912 1.994 3.303) 3.964 1.929 ( 12.938 1.407 -6.312) 14.465 2.625 ( -1.707 -2.293 1.988) 3.482 3.021 ( -4.580 -7.033 -7.618) 11.335 3.467 ( -0.018 6.320 2.417) 6.766 3.894 ( 12.169 4.351 -4.499) 13.684 4.132 ( 7.912 6.723 10.536) 14.792 4.761 ( -4.324 -0.379 -3.456) 5.548 4.840 ( -1.125 -3.117 -2.833) 4.360 5.733 ( 5.565 8.251 -0.957) 9.998 5.993 ( -3.346 -1.566 4.516) 5.835 7.424 ( 1.170 1.397 0.878) 2.023 8.184 ( 3.052 -0.033 -2.573) 3.992 8.416 ( 6.830 0.710 2.440) 7.288 8.511 ( -10.702 2.433 -5.916) 12.468 9.288 ( -9.454 -8.591 3.318) 13.199 9.582 ( 0.011 -3.505 -0.720) 3.578 14.331 ( 14.158 -4.034 5.866) 15.847 14.712 ( -10.901 7.841 -11.495) 17.677 15.734 ( -4.235 -13.327 -8.461) 16.344 16.180 ( -18.651 -18.524 12.693) 29.191 18.798 ( 2.279 3.396 1.346) 4.306 20.032 ( 16.520 23.690 0.525) 28.886 ======================= Grid point 202 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 5.038 -6.379 -4.378) 9.233 1.770 ( -2.891 -4.001 -0.546) 4.966 2.045 ( 3.401 -2.508 -3.638) 5.576 2.652 ( 0.778 0.876 3.839) 4.014 2.927 ( 10.271 2.294 1.887) 10.692 3.427 ( -4.131 0.108 -5.874) 7.182 4.008 ( -3.494 -8.570 -7.077) 11.650 4.103 ( -8.399 2.850 -7.942) 11.905 4.843 ( 6.460 -1.362 6.067) 8.966 4.920 ( 2.617 -0.904 2.875) 3.992 5.519 ( 0.428 5.464 -14.561) 15.558 6.047 ( -5.177 -3.567 3.651) 7.270 7.438 ( -2.009 -0.161 -0.958) 2.231 8.256 ( -2.484 3.558 -3.341) 5.476 8.353 ( 4.034 -1.221 -3.603) 5.545 8.689 ( 2.192 -6.664 7.903) 10.568 9.080 ( 0.230 5.114 7.958) 9.462 9.633 ( 1.983 3.023 4.273) 5.597 14.510 ( 12.501 1.516 -14.927) 19.529 14.605 ( -13.355 -3.792 9.846) 17.019 15.742 ( 12.831 -11.937 20.932) 27.300 16.093 ( 6.187 20.205 15.999) 26.505 18.806 ( -3.516 0.213 -2.885) 4.553 20.032 ( -14.396 -6.516 -27.213) 31.468 ======================= Grid point 203 (113/226) ======================= q-point: ( 0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 6.348 -4.510 -4.403) 8.946 1.634 ( -6.709 -3.649 -2.995) 8.203 2.032 ( -0.247 -3.270 -1.517) 3.613 2.699 ( 0.948 0.246 3.048) 3.202 3.108 ( 8.107 -4.161 -3.419) 9.733 3.300 ( -6.046 5.803 -3.589) 9.116 3.859 ( -14.630 -1.066 -5.529) 15.677 3.884 ( -0.750 -3.334 -2.114) 4.018 4.956 ( 4.044 0.527 0.189) 4.083 4.983 ( 4.043 -3.763 6.191) 8.297 5.402 ( -8.756 0.870 -10.013) 13.330 6.038 ( 2.879 -0.056 4.164) 5.062 7.396 ( -1.749 -0.393 -1.261) 2.192 8.192 ( -4.154 0.394 -2.663) 4.950 8.366 ( -0.681 -2.325 -1.971) 3.124 8.688 ( 5.049 -5.389 4.766) 8.789 9.308 ( 9.320 9.221 5.377) 14.170 9.700 ( 0.125 1.386 3.964) 4.201 14.339 ( -17.887 -3.551 7.354) 19.663 14.701 ( 17.640 4.076 -14.180) 22.997 16.051 ( 18.857 -11.492 22.098) 31.241 16.540 ( 8.426 23.741 15.839) 29.757 18.721 ( -4.792 -0.004 -2.310) 5.320 19.442 ( -22.227 -13.103 -28.359) 38.340 ======================= Grid point 204 (114/226) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -3.152 -1.182 -1.986) 3.909 1.485 ( 1.024 -2.802 -3.100) 4.302 1.928 ( -7.439 -3.758 -1.430) 8.456 2.715 ( 0.704 -1.146 -0.715) 1.523 2.995 ( -4.789 -7.630 -2.572) 9.368 3.399 ( 4.237 7.965 -0.914) 9.068 3.590 ( -11.560 -0.465 -2.408) 11.818 3.863 ( 0.505 -0.719 0.382) 0.958 4.924 ( -8.169 -8.049 8.516) 14.284 5.056 ( 0.592 0.550 3.435) 3.529 5.217 ( -2.291 1.411 -9.822) 10.184 6.135 ( 5.041 0.302 1.405) 5.242 7.360 ( -1.674 -0.026 -0.128) 1.679 8.097 ( -3.967 -2.300 -2.252) 5.109 8.306 ( -2.522 -1.401 2.620) 3.898 8.817 ( 11.100 -0.280 -3.164) 11.545 9.566 ( 8.277 6.795 2.450) 10.986 9.715 ( -1.126 -0.438 2.946) 3.185 14.073 ( -14.946 -2.367 5.737) 16.184 14.994 ( 22.188 6.889 -15.556) 27.960 16.384 ( 17.274 -12.830 21.962) 30.746 16.993 ( 8.867 20.101 10.551) 24.372 18.559 ( -20.387 -1.392 -5.796) 21.241 18.787 ( -13.063 -10.861 -17.015) 24.044 ======================= Grid point 205 (115/226) ======================= q-point: ( 0.45 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -7.121 -3.854 -0.044) 8.097 1.525 ( -1.510 0.697 1.866) 2.500 1.732 ( -8.741 -1.164 1.002) 8.875 2.706 ( 1.796 -1.120 -3.607) 4.182 2.857 ( -4.989 -5.536 5.501) 9.263 3.380 ( -5.125 2.415 -7.924) 9.741 3.575 ( 4.244 1.288 3.769) 5.820 3.882 ( 0.024 2.398 1.607) 2.887 4.669 ( -17.925 -7.875 12.448) 23.201 5.053 ( -1.761 0.082 1.121) 2.089 5.233 ( 6.004 0.773 -7.418) 9.575 6.208 ( 3.989 -1.156 -1.444) 4.397 7.337 ( -2.138 0.598 1.853) 2.892 8.006 ( -3.075 -1.604 -0.421) 3.494 8.302 ( 0.496 0.271 1.912) 1.994 8.972 ( 10.000 0.606 -6.355) 11.864 9.674 ( -0.034 -3.009 1.112) 3.208 9.759 ( 4.231 4.877 -1.012) 6.535 13.876 ( -9.956 -2.139 4.929) 11.313 15.371 ( 26.016 9.591 -18.582) 33.378 16.636 ( 11.167 -12.055 17.965) 24.346 17.259 ( 6.728 -5.777 -7.960) 11.916 18.006 ( -32.293 11.272 5.214) 34.599 18.638 ( -1.750 -0.977 -1.001) 2.240 ======================= Grid point 206 (116/226) ======================= q-point: (-0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -0.241 -7.714 6.019) 9.787 1.359 ( -12.166 -7.578 5.714) 15.430 1.752 ( -1.029 9.711 5.254) 11.089 2.725 ( 2.914 -0.258 -2.038) 3.566 2.795 ( -2.850 -0.778 7.201) 7.783 3.292 ( -2.197 1.818 -7.604) 8.122 3.668 ( 5.612 -2.897 2.073) 6.647 3.919 ( -1.341 3.089 2.226) 4.036 4.406 ( -16.049 -2.288 15.309) 22.297 5.028 ( -0.428 -2.170 0.171) 2.219 5.289 ( 4.819 0.262 -5.969) 7.676 6.230 ( 2.809 -2.266 -3.660) 5.140 7.326 ( -2.245 1.395 3.375) 4.287 7.968 ( -1.167 0.692 1.373) 1.930 8.332 ( 0.858 0.645 0.860) 1.375 9.065 ( 6.618 -1.204 -7.709) 10.231 9.635 ( -1.086 -2.775 -0.195) 2.987 9.834 ( 2.792 1.794 -4.677) 5.735 13.760 ( -4.675 -3.076 5.012) 7.513 15.782 ( 25.821 10.448 -24.646) 37.193 16.697 ( -6.027 -3.322 -0.495) 6.900 16.956 ( 1.896 -33.608 -9.173) 34.889 17.968 ( -16.426 27.852 28.057) 42.811 18.631 ( -0.687 2.595 2.884) 3.940 ======================= Grid point 207 (117/226) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -5.396 -6.757 3.100) 9.186 1.249 ( 10.597 -11.159 13.880) 20.724 1.841 ( -3.469 8.178 3.580) 9.578 2.719 ( 0.953 -2.822 -3.063) 4.272 2.890 ( 0.740 9.313 10.926) 14.375 3.233 ( -0.208 0.599 -8.089) 8.113 3.746 ( 5.710 -2.772 1.597) 6.545 3.871 ( -5.037 -5.334 2.993) 7.923 4.358 ( -5.305 9.082 16.584) 19.639 4.999 ( 0.609 -3.891 -0.635) 3.989 5.320 ( 3.165 -0.492 -4.640) 5.638 6.216 ( 1.647 -2.713 -4.672) 5.648 7.334 ( -1.670 2.346 4.062) 4.980 7.998 ( 1.097 2.649 2.923) 4.094 8.337 ( -1.590 0.433 0.138) 1.654 9.072 ( 3.794 -4.473 -8.436) 10.275 9.581 ( -2.227 -0.976 -2.651) 3.597 9.833 ( 0.550 -0.919 -5.106) 5.217 13.723 ( 0.502 -4.497 5.730) 7.301 15.904 ( -1.873 -2.341 -30.851) 30.996 16.538 ( 7.246 -0.458 -8.725) 11.351 16.752 ( 0.803 -17.531 -4.744) 18.180 18.191 ( -7.837 19.266 33.679) 39.583 18.709 ( 0.897 7.446 6.793) 10.119 ======================= Grid point 208 (118/226) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 8.420 -3.010 -4.591) 10.051 1.451 ( 12.566 -9.160 12.532) 19.972 1.829 ( -5.034 2.986 -0.435) 5.869 2.686 ( 0.886 -2.797 -2.808) 4.061 3.043 ( -0.690 6.842 1.320) 7.002 3.244 ( 4.351 4.589 1.603) 6.523 3.729 ( -5.395 -6.921 4.131) 9.699 3.838 ( 5.872 -1.941 1.683) 6.409 4.551 ( 1.518 12.667 14.105) 19.019 4.962 ( 0.807 -4.869 -1.813) 5.258 5.345 ( 3.674 -0.361 -1.220) 3.888 6.175 ( 0.084 -2.572 -4.741) 5.394 7.366 ( -0.937 3.097 4.116) 5.236 8.087 ( 3.094 3.292 3.706) 5.844 8.290 ( -3.911 0.379 -0.213) 3.935 9.001 ( 0.296 -5.978 -8.902) 10.727 9.505 ( -2.730 -0.880 -5.351) 6.071 9.779 ( -2.261 -2.037 -2.267) 3.795 13.764 ( 5.552 -5.593 6.682) 10.333 15.508 ( -11.950 -8.663 -23.329) 27.606 16.432 ( -10.445 -8.297 -15.171) 20.202 16.706 ( 7.563 -3.022 -6.102) 10.177 18.498 ( 2.488 11.600 23.306) 26.152 18.929 ( 5.902 15.915 15.495) 22.983 ======================= Grid point 209 (119/226) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 18.780 1.111 -10.862) 21.723 1.585 ( 4.044 -6.543 5.506) 9.459 1.766 ( -1.203 -0.836 -1.368) 2.004 2.661 ( 0.600 -2.777 -0.740) 2.936 3.026 ( 1.455 -1.676 -10.378) 10.612 3.439 ( 4.057 7.305 8.023) 11.585 3.621 ( -0.920 -7.344 3.413) 8.151 3.954 ( 5.877 2.638 4.229) 7.706 4.744 ( 0.092 8.302 5.593) 10.011 4.904 ( -0.184 -5.170 -3.192) 6.079 5.475 ( 8.370 4.418 6.497) 11.480 6.107 ( -1.938 -2.158 -4.403) 5.273 7.410 ( -0.563 3.307 3.639) 4.949 8.164 ( 0.527 -1.273 0.565) 1.489 8.263 ( 0.181 4.279 2.239) 4.833 8.854 ( -5.528 -3.209 -8.726) 10.817 9.410 ( -1.578 -3.560 -5.625) 6.842 9.697 ( -4.633 -2.052 1.180) 5.203 13.886 ( 10.240 -5.798 7.186) 13.788 15.108 ( -9.817 -8.057 -18.524) 22.460 16.033 ( -14.224 -3.737 -21.032) 25.664 16.651 ( -5.920 -11.910 7.301) 15.172 18.719 ( 2.158 6.331 8.132) 10.529 19.434 ( 15.925 23.724 16.526) 33.008 ======================= Grid point 210 (120/226) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 3.411 -0.801 -7.403) 8.190 1.590 ( 15.523 -2.131 -4.862) 16.405 1.768 ( 2.668 -2.858 0.490) 3.940 2.639 ( -0.435 -2.615 1.809) 3.209 2.932 ( -0.091 -7.234 -9.865) 12.234 3.532 ( -1.007 3.794 0.541) 3.963 3.672 ( 10.046 -2.191 1.002) 10.331 4.149 ( 8.025 4.439 7.766) 12.017 4.791 ( -2.842 1.297 -2.442) 3.966 4.817 ( -0.856 -2.644 -1.343) 3.086 5.715 ( 5.362 5.023 3.652) 8.205 6.042 ( -0.605 1.046 -0.304) 1.246 7.452 ( -0.670 2.946 2.717) 4.063 8.141 ( 0.279 -1.425 -0.051) 1.453 8.346 ( 3.097 1.233 -0.310) 3.348 8.669 ( -9.209 2.672 -6.664) 11.677 9.326 ( -1.420 -3.828 -0.288) 4.093 9.599 ( -5.260 -3.325 2.176) 6.593 14.082 ( 13.899 -4.582 6.048) 15.835 14.797 ( -5.928 -6.762 -14.218) 16.823 15.684 ( -9.704 -0.001 -15.317) 18.132 16.399 ( -15.088 -17.067 15.605) 27.613 18.828 ( 0.605 4.567 3.444) 5.753 20.005 ( 14.853 22.605 4.094) 27.356 ======================= Grid point 213 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 7.873 -10.903 -6.337) 14.867 1.724 ( 3.202 -6.677 1.794) 7.620 1.884 ( 8.503 -1.211 -6.898) 11.016 2.659 ( 2.628 1.728 -0.341) 3.163 2.776 ( 8.510 -1.704 4.952) 9.993 3.492 ( -4.882 2.424 -2.046) 5.822 3.914 ( -1.172 -8.697 -5.829) 10.535 4.099 ( 7.033 3.957 -11.070) 13.699 4.784 ( 3.683 -1.170 6.235) 7.335 4.898 ( -3.021 -2.957 0.361) 4.243 5.528 ( -0.736 10.367 -10.040) 14.451 6.090 ( -2.985 -4.789 -0.437) 5.660 7.485 ( -3.658 0.915 -0.856) 3.867 8.207 ( 4.419 0.594 -2.328) 5.030 8.374 ( -6.364 0.115 -4.898) 8.031 8.624 ( 6.162 -0.415 7.788) 9.939 9.212 ( -6.591 -2.762 9.452) 11.849 9.654 ( 2.571 4.294 3.540) 6.130 14.212 ( 11.314 -0.919 -14.788) 18.642 14.730 ( 3.760 -6.696 14.681) 16.568 15.652 ( -3.900 -11.441 17.244) 21.058 16.294 ( 6.304 19.872 15.286) 25.851 18.861 ( -3.999 1.306 -2.640) 4.967 20.043 ( -12.953 -2.555 -27.272) 30.300 ======================= Grid point 214 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 8.871 -2.068 -1.521) 9.235 1.678 ( -2.951 -4.572 0.622) 5.477 1.927 ( 4.466 -2.875 -5.806) 7.869 2.709 ( 1.063 0.995 1.041) 1.790 2.933 ( 7.878 -2.004 1.642) 8.293 3.424 ( -4.816 4.638 -2.260) 7.057 3.797 ( 0.374 -6.562 -2.445) 7.013 4.077 ( -8.324 5.824 -9.520) 13.923 4.818 ( 5.187 -1.715 -2.729) 6.107 4.920 ( 3.952 -3.307 3.951) 6.494 5.526 ( -5.609 7.674 -7.194) 11.921 6.031 ( 0.082 -2.723 4.432) 5.203 7.426 ( -2.918 0.576 -1.859) 3.507 8.243 ( -3.506 -2.707 -3.584) 5.698 8.298 ( 4.290 4.213 -4.340) 7.416 8.652 ( -2.268 -9.218 10.297) 14.005 9.281 ( 6.001 4.887 6.547) 10.137 9.723 ( 0.701 0.556 1.986) 2.178 14.352 ( 15.333 2.088 -13.662) 20.643 14.644 ( -14.312 -6.170 11.751) 19.519 15.765 ( 14.985 -11.982 19.304) 27.217 16.699 ( 8.435 17.572 11.209) 22.485 18.785 ( -4.074 1.128 -3.041) 5.208 19.557 ( -20.775 -2.705 -24.587) 32.303 ======================= Grid point 215 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 6.031 7.025 3.573) 9.924 1.562 ( -6.753 -1.152 0.234) 6.855 1.909 ( 1.196 -3.831 -5.370) 6.704 2.716 ( -0.908 -0.147 -0.957) 1.327 2.981 ( -0.048 -2.676 1.693) 3.167 3.421 ( -0.440 4.659 -1.942) 5.067 3.715 ( -5.158 -2.951 -2.102) 6.304 3.932 ( -6.743 6.907 -3.296) 10.200 4.905 ( 6.521 -1.416 -4.875) 8.264 4.947 ( 3.048 -6.499 4.899) 8.691 5.398 ( -12.002 4.889 -1.655) 13.065 6.078 ( 3.164 -0.588 2.625) 4.153 7.386 ( -1.385 1.036 -1.197) 2.103 8.135 ( -4.180 -1.869 -1.742) 4.899 8.353 ( -0.992 1.583 -0.292) 1.891 8.632 ( 5.947 -5.229 2.369) 8.266 9.492 ( 8.440 3.075 4.212) 9.921 9.719 ( -0.079 -2.789 -0.069) 2.791 14.360 ( -16.751 -3.220 5.955) 18.067 14.606 ( 18.402 3.690 -10.864) 21.686 16.070 ( 19.435 -13.400 19.529) 30.637 16.995 ( 8.571 3.443 -0.410) 9.246 18.714 ( -3.091 0.834 -2.833) 4.275 19.050 ( -27.125 8.941 -11.286) 30.709 ======================= Grid point 216 (124/226) ======================= q-point: (-0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -8.044 -2.758 -2.445) 8.849 1.617 ( -0.728 8.601 6.540) 10.830 1.834 ( -2.726 1.024 -2.277) 3.696 2.681 ( -1.114 0.419 -2.550) 2.814 2.947 ( -4.481 -0.599 7.011) 8.342 3.385 ( -1.746 -2.333 -8.843) 9.311 3.616 ( -4.497 2.945 2.037) 5.748 3.951 ( -0.891 7.231 2.609) 7.739 4.840 ( -4.892 -10.366 7.746) 13.834 5.034 ( 8.062 -1.605 -3.937) 9.114 5.240 ( -12.007 6.792 -0.774) 13.817 6.126 ( 2.986 -1.933 -0.634) 3.613 7.382 ( -0.733 1.692 0.737) 1.986 8.055 ( -3.589 0.068 0.484) 3.622 8.326 ( -1.989 -0.929 2.961) 3.686 8.752 ( 10.944 0.070 -6.644) 12.803 9.609 ( 2.998 -6.972 1.925) 7.829 9.714 ( 3.527 1.316 -1.988) 4.258 14.097 ( -14.886 -2.427 5.307) 15.988 14.923 ( 22.707 5.686 -13.807) 27.177 16.366 ( 17.422 -14.745 17.053) 28.491 16.977 ( 3.160 -17.483 -16.108) 23.981 18.669 ( -2.912 3.894 -0.250) 4.868 18.763 ( -25.582 25.882 8.147) 37.292 ======================= Grid point 217 (125/226) ======================= q-point: (-0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -7.195 -6.673 -1.321) 9.902 1.516 ( -10.877 -5.942 1.146) 12.447 1.917 ( -0.961 10.816 4.748) 11.851 2.669 ( 0.883 -0.929 -1.438) 1.926 2.941 ( -4.494 5.728 11.025) 13.212 3.276 ( -0.728 -1.495 -10.125) 10.261 3.607 ( -0.517 0.083 1.911) 1.981 4.021 ( -2.681 5.509 5.088) 7.964 4.701 ( -8.488 -6.284 13.864) 17.428 5.077 ( -3.441 0.773 -0.316) 3.541 5.156 ( 1.539 3.243 -6.753) 7.648 6.135 ( 2.583 -3.292 -2.893) 5.087 7.396 ( -1.237 2.273 2.520) 3.612 8.026 ( -2.517 2.737 2.280) 4.362 8.325 ( 0.787 -0.931 2.395) 2.687 8.867 ( 8.551 0.009 -11.127) 14.033 9.560 ( 2.486 -10.041 0.316) 10.349 9.776 ( 2.816 1.633 -3.591) 4.847 13.892 ( -10.470 -2.487 4.690) 11.739 15.276 ( 24.576 3.913 -17.427) 30.381 16.529 ( 9.531 -20.813 -4.950) 23.420 16.670 ( -0.874 -16.140 -3.934) 16.635 18.686 ( -4.989 6.168 4.163) 8.959 18.760 ( -17.327 30.661 18.448) 39.757 ======================= Grid point 218 (126/226) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 4.293 -12.208 6.440) 14.454 1.254 ( -12.463 -9.505 3.997) 16.175 1.970 ( -2.966 3.525 0.133) 4.609 2.646 ( 0.708 -3.921 -2.289) 4.595 3.076 ( -0.593 13.193 11.966) 17.822 3.196 ( -0.345 0.061 -10.151) 10.157 3.629 ( 3.192 -2.361 1.982) 4.437 3.983 ( -8.060 -2.315 5.917) 10.263 4.673 ( -5.215 4.777 17.240) 18.634 5.000 ( -5.746 3.149 -0.841) 6.606 5.197 ( 5.532 -1.164 -6.558) 8.658 6.119 ( 2.376 -3.843 -3.823) 5.919 7.418 ( -1.535 3.178 3.657) 5.082 8.050 ( -1.024 4.505 3.353) 5.708 8.350 ( 0.861 -0.518 1.871) 2.124 8.880 ( 4.768 -3.931 -13.353) 14.714 9.527 ( 3.444 -7.682 0.170) 8.420 9.789 ( 0.614 1.435 -5.354) 5.577 13.760 ( -5.467 -3.475 5.198) 8.305 15.490 ( 15.003 -10.984 -23.287) 29.800 16.301 ( 6.869 -8.442 -17.598) 20.691 16.661 ( 0.946 -8.013 4.830) 9.404 18.696 ( -7.391 9.488 8.874) 14.946 18.936 ( -9.358 22.949 22.881) 33.731 ======================= Grid point 219 (127/226) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -5.800 -9.871 1.190) 11.511 1.173 ( 15.790 -14.277 12.737) 24.807 1.900 ( -4.285 -2.194 -3.941) 6.222 2.604 ( 1.518 -4.184 -3.450) 5.632 3.073 ( -3.057 -0.322 -11.791) 12.185 3.326 ( 2.918 12.345 11.101) 16.857 3.690 ( 5.614 -4.444 2.237) 7.502 3.825 ( -8.686 -5.380 5.605) 11.653 4.787 ( 0.447 2.811 10.041) 10.437 4.961 ( -6.816 9.799 4.215) 12.659 5.238 ( 6.146 -1.503 -3.172) 7.078 6.095 ( 1.989 -3.684 -3.869) 5.701 7.453 ( -1.516 4.056 4.278) 6.087 8.115 ( 0.518 4.611 3.204) 5.639 8.352 ( -1.990 0.219 1.963) 2.804 8.811 ( 4.326 -6.795 -12.790) 15.116 9.504 ( -0.071 -4.032 -0.681) 4.090 9.768 ( -0.386 1.258 -5.184) 5.348 13.711 ( -0.183 -4.624 6.473) 7.957 15.264 ( 0.858 -22.749 -22.707) 32.154 16.413 ( 11.749 4.538 -14.777) 19.417 16.546 ( -5.489 -2.120 -7.249) 9.337 18.743 ( -4.144 7.671 10.460) 13.617 19.188 ( -2.805 18.460 27.312) 33.085 ======================= Grid point 220 (128/226) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 10.485 -5.178 -8.770) 14.617 1.388 ( 14.452 -12.638 10.393) 21.831 1.752 ( -3.745 -6.311 -5.953) 9.450 2.582 ( 2.965 -3.956 -2.327) 5.464 2.927 ( -1.961 -3.685 -13.433) 14.066 3.540 ( 0.877 8.793 10.309) 13.578 3.631 ( -5.382 -7.451 4.109) 10.068 3.827 ( 9.047 -1.959 1.469) 9.372 4.804 ( 1.650 -4.878 -2.562) 5.752 4.969 ( -8.308 8.230 3.635) 12.246 5.412 ( 9.766 6.305 8.904) 14.643 6.062 ( 0.741 -2.758 -4.073) 4.975 7.496 ( -1.643 4.365 4.320) 6.357 8.164 ( -0.448 1.086 0.227) 1.196 8.334 ( -2.403 1.993 3.153) 4.437 8.760 ( 4.192 -3.495 -8.751) 10.313 9.424 ( -4.638 -1.544 -3.037) 5.755 9.736 ( -1.588 0.034 -2.048) 2.592 13.749 ( 5.109 -5.185 7.498) 10.451 14.909 ( -0.759 -20.843 -19.136) 28.306 16.208 ( -17.578 5.721 -19.540) 26.898 16.588 ( 5.932 -3.960 -3.562) 7.972 18.827 ( -1.119 5.865 7.641) 9.697 19.569 ( 7.113 18.192 24.755) 31.533 ======================= Grid point 221 (129/226) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 21.918 0.028 -15.648) 26.930 1.475 ( 2.519 -9.296 -0.008) 9.631 1.638 ( 5.140 -10.349 -1.008) 11.599 2.593 ( 3.054 -4.108 0.852) 5.189 2.778 ( 0.664 -7.776 -11.618) 13.996 3.541 ( 0.168 -3.096 0.988) 3.255 3.641 ( -2.018 4.570 5.417) 7.369 4.014 ( 12.321 -2.082 3.061) 12.865 4.749 ( 0.082 -5.110 -4.195) 6.612 4.912 ( -5.489 3.963 1.067) 6.854 5.695 ( 6.713 3.820 8.816) 11.721 6.030 ( 1.313 1.669 -4.616) 5.081 7.532 ( -2.066 4.000 3.692) 5.822 8.142 ( -1.124 -0.223 0.195) 1.162 8.333 ( -0.891 -0.568 0.110) 1.062 8.761 ( -1.471 4.375 -3.822) 5.993 9.319 ( -2.572 0.172 -3.352) 4.228 9.677 ( -4.613 -2.272 1.948) 5.499 13.875 ( 10.036 -4.429 6.633) 12.819 14.614 ( 0.714 -17.164 -14.801) 22.675 15.855 ( -15.972 8.484 -17.140) 24.917 16.516 ( -6.287 -12.469 8.105) 16.146 18.901 ( -0.787 4.419 4.101) 6.080 20.035 ( 10.839 18.935 10.797) 24.343 ======================= Grid point 224 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 11.403 -8.312 -1.710) 14.214 1.550 ( 11.804 -2.922 -3.263) 12.590 1.669 ( 11.546 -3.044 -0.409) 11.947 2.580 ( 6.383 2.308 -2.264) 7.155 2.698 ( 4.923 -3.664 9.761) 11.529 3.596 ( -5.379 0.092 0.353) 5.392 3.802 ( -0.680 -9.119 -8.004) 12.153 3.901 ( 12.378 7.655 -7.011) 16.154 4.728 ( 5.451 -0.477 4.019) 6.789 4.971 ( -5.989 -3.678 2.452) 7.444 5.606 ( -3.071 10.986 -7.828) 13.834 6.046 ( 1.320 -4.227 -3.036) 5.369 7.558 ( -4.518 1.073 -1.647) 4.927 8.158 ( 0.518 -0.742 0.312) 0.957 8.404 ( -1.138 -2.827 -3.706) 4.798 8.635 ( -0.624 6.561 3.705) 7.561 9.331 ( -5.863 -6.107 6.683) 10.786 9.683 ( 1.013 3.576 3.242) 4.932 13.944 ( 9.033 -0.751 -12.182) 15.184 14.570 ( 15.905 -7.514 15.478) 23.431 15.841 ( -15.718 -10.881 16.564) 25.295 16.437 ( 7.029 14.258 11.568) 19.660 18.924 ( -3.929 1.286 -2.818) 5.004 20.073 ( -10.750 2.597 -24.957) 27.298 ======================= Grid point 225 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 11.106 8.771 7.932) 16.223 1.624 ( 4.238 -5.620 1.707) 7.242 1.795 ( 5.863 -0.041 -4.693) 7.510 2.675 ( 3.808 0.840 -1.873) 4.327 2.835 ( 6.407 -0.519 8.240) 10.451 3.522 ( -4.319 1.592 -0.608) 4.643 3.696 ( 2.298 -5.259 -4.295) 7.169 4.090 ( 5.519 7.918 -9.408) 13.478 4.812 ( -5.297 -0.594 -0.453) 5.350 4.837 ( 3.729 -3.541 2.836) 5.873 5.629 ( -2.380 10.576 -8.331) 13.672 6.024 ( 0.586 -3.137 3.825) 4.981 7.477 ( -4.058 0.644 -2.781) 4.961 8.177 ( 2.649 -1.291 -1.603) 3.354 8.320 ( -2.757 1.083 -3.179) 4.346 8.684 ( -2.276 -4.634 8.530) 9.971 9.291 ( 0.860 -0.021 6.387) 6.445 9.714 ( 0.348 -1.499 -0.319) 1.572 14.063 ( 12.414 3.081 -10.433) 16.506 14.774 ( 2.908 -8.310 15.024) 17.413 15.658 ( -3.457 -9.940 16.353) 19.447 16.709 ( 8.255 3.663 2.309) 9.322 18.842 ( -4.334 1.313 -4.385) 6.304 19.763 ( -15.658 9.452 -17.325) 25.193 ======================= Grid point 226 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 5.883 13.283 9.866) 17.561 1.631 ( 0.444 -0.111 2.426) 2.469 1.813 ( 1.483 -0.825 -5.476) 5.733 2.698 ( 1.091 -1.256 -2.281) 2.823 2.970 ( 3.525 -0.063 7.329) 8.133 3.471 ( -3.378 1.313 -2.151) 4.214 3.715 ( 2.604 1.027 0.883) 2.935 4.086 ( -5.778 8.328 -10.400) 14.523 4.770 ( 2.864 0.885 -2.687) 4.026 4.885 ( 2.358 -5.518 4.207) 7.328 5.598 ( -6.639 6.974 -3.254) 10.164 6.047 ( 1.472 -1.433 2.601) 3.314 7.415 ( -2.113 1.170 -2.101) 3.202 8.162 ( -1.362 -1.675 -0.649) 2.254 8.342 ( 3.280 5.660 -4.120) 7.731 8.593 ( -4.807 -9.654 8.970) 14.028 9.405 ( 6.576 -0.213 4.184) 7.797 9.671 ( 0.084 -4.835 -2.572) 5.477 14.274 ( 14.718 6.016 -10.135) 18.856 14.674 ( -13.964 -6.576 12.537) 19.885 15.770 ( 14.029 -10.840 15.877) 23.799 16.778 ( 7.567 -12.345 -10.225) 17.726 18.763 ( -3.596 2.370 -3.639) 5.638 19.546 ( -19.094 21.048 -4.379) 28.754 ======================= Grid point 227 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -6.633 -1.484 -1.497) 6.959 1.740 ( -3.401 0.409 0.795) 3.516 1.854 ( 5.226 12.408 2.451) 13.684 2.676 ( 0.163 -1.457 -2.263) 2.697 3.050 ( 0.372 -0.320 9.378) 9.391 3.365 ( -6.078 -0.598 -7.055) 9.331 3.754 ( -4.603 6.102 1.526) 7.794 4.061 ( -0.899 9.965 -1.792) 10.165 4.800 ( 1.456 -5.705 -0.593) 5.918 4.893 ( 3.573 -3.126 1.904) 5.115 5.519 ( -10.372 7.946 1.315) 13.131 6.058 ( 1.793 -3.028 -1.086) 3.683 7.406 ( -0.073 1.932 -0.324) 1.960 8.129 ( -2.757 1.872 2.225) 4.008 8.385 ( -3.370 0.565 1.057) 3.577 8.551 ( 6.998 -2.815 -2.290) 7.883 9.469 ( 3.769 -10.923 0.156) 11.556 9.649 ( 3.459 -0.236 -1.162) 3.656 14.368 ( -13.521 -1.647 3.131) 13.976 14.588 ( 13.106 4.418 -4.284) 14.479 16.025 ( 17.318 -12.623 11.303) 24.229 16.610 ( 4.749 -23.664 -15.550) 28.711 18.735 ( -1.830 3.912 -0.282) 4.328 19.474 ( -19.642 29.707 5.302) 36.005 ======================= Grid point 228 (134/226) ======================= q-point: (-0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -11.377 -2.973 -4.966) 12.765 1.617 ( -7.540 -4.129 -1.415) 8.712 2.023 ( 0.300 7.056 0.414) 7.074 2.655 ( -0.411 -1.612 -0.189) 1.674 3.104 ( 1.970 -3.403 5.334) 6.627 3.228 ( -6.006 5.121 -3.185) 8.512 3.715 ( -6.748 6.695 -0.704) 9.532 4.161 ( -1.922 6.800 6.204) 9.403 4.742 ( -0.036 -7.171 5.018) 8.753 4.946 ( 5.696 -2.227 -4.225) 7.434 5.427 ( -13.317 10.830 4.319) 17.700 6.041 ( 2.242 -4.557 -2.549) 5.682 7.435 ( 0.540 2.351 1.060) 2.635 8.138 ( -3.339 5.688 4.313) 7.881 8.327 ( -1.619 -3.390 3.002) 4.809 8.658 ( 8.671 2.229 -11.046) 14.219 9.385 ( 3.394 -14.239 -1.016) 14.673 9.717 ( 3.878 0.060 -0.756) 3.951 14.117 ( -15.095 -2.306 5.168) 16.121 14.861 ( 17.652 3.307 -10.373) 20.739 16.119 ( 8.208 -17.733 -16.750) 25.737 16.440 ( 9.300 -19.453 8.727) 23.261 18.766 ( -0.430 4.411 2.400) 5.040 19.508 ( -18.573 31.934 10.521) 38.411 ======================= Grid point 229 (135/226) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -8.904 -7.960 -3.178) 12.359 1.399 ( -11.970 -7.174 1.704) 14.059 2.011 ( -2.720 -1.486 -3.609) 4.757 2.609 ( -1.715 -3.930 -0.107) 4.290 3.076 ( 3.120 -5.785 -9.141) 11.259 3.288 ( -1.366 10.995 9.050) 14.306 3.669 ( -4.893 5.617 -0.638) 7.476 4.138 ( -7.694 -3.523 7.520) 11.321 4.750 ( 0.796 -1.959 5.042) 5.467 4.994 ( 7.460 -2.125 -6.000) 9.806 5.356 ( -13.903 13.981 8.869) 21.620 6.019 ( 2.373 -4.415 -2.650) 5.670 7.479 ( 0.321 3.084 2.102) 3.746 8.169 ( -3.654 6.870 4.390) 8.934 8.322 ( 2.094 -2.444 2.408) 4.019 8.698 ( 3.849 0.111 -13.743) 14.272 9.342 ( 6.868 -10.882 -0.002) 12.868 9.756 ( 1.921 -0.086 -2.010) 2.782 13.904 ( -11.162 -2.571 5.101) 12.538 15.025 ( 12.186 -9.603 -15.505) 21.935 15.953 ( 9.390 -8.302 -20.551) 24.072 16.535 ( 8.357 -13.188 11.774) 19.555 18.825 ( -0.350 4.714 3.471) 5.865 19.588 ( -16.751 28.631 15.009) 36.409 ======================= Grid point 230 (136/226) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 7.551 -15.693 7.308) 18.887 1.105 ( -14.343 -10.843 3.965) 18.412 1.884 ( -3.512 -6.730 -6.305) 9.868 2.537 ( -0.854 -4.371 -1.795) 4.802 2.994 ( 0.660 -4.967 -11.844) 12.860 3.434 ( 2.016 7.251 5.632) 9.400 3.667 ( -1.454 4.923 1.138) 5.258 3.973 ( -10.004 -7.812 7.578) 14.783 4.744 ( 0.749 -3.715 -1.583) 4.107 5.077 ( 7.161 -2.058 -4.733) 8.827 5.365 ( -11.052 16.568 14.876) 24.859 6.004 ( 2.121 -3.197 -2.436) 4.545 7.531 ( -0.085 3.988 2.948) 4.960 8.203 ( -2.494 5.557 2.862) 6.729 8.358 ( 2.450 -1.905 1.623) 3.502 8.642 ( 0.630 -0.509 -10.316) 10.348 9.388 ( 7.281 -6.091 0.150) 9.494 9.757 ( 0.067 0.888 -3.629) 3.737 13.765 ( -6.113 -3.457 6.182) 9.356 14.868 ( 3.087 -21.493 -18.547) 28.557 16.075 ( 18.370 4.783 -17.125) 25.565 16.557 ( -0.009 -7.562 2.653) 8.014 18.884 ( -0.936 4.911 3.716) 6.229 19.695 ( -12.783 21.755 20.913) 32.773 ======================= Grid point 231 (137/226) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -7.938 -12.719 0.379) 14.998 1.019 ( 18.862 -18.158 12.262) 28.911 1.687 ( -4.039 -11.018 -8.734) 14.628 2.488 ( 1.500 -3.711 -2.212) 4.574 2.840 ( -2.841 -5.521 -14.241) 15.536 3.575 ( 6.994 -1.502 5.847) 9.239 3.697 ( -3.554 4.651 0.658) 5.890 3.797 ( -6.302 -4.407 6.575) 10.117 4.706 ( 1.544 -3.716 -4.241) 5.846 5.087 ( -0.048 -2.186 -4.070) 4.620 5.501 ( -1.529 12.131 15.025) 19.371 5.996 ( 1.497 -1.647 -2.468) 3.323 7.586 ( -0.746 4.381 3.252) 5.507 8.207 ( -2.895 2.261 -0.430) 3.699 8.373 ( 1.314 -3.189 0.572) 3.496 8.644 ( 2.569 5.834 -2.603) 6.885 9.428 ( 1.664 -3.382 0.436) 3.794 9.737 ( -0.516 1.693 -4.585) 4.915 13.715 ( -0.686 -4.279 7.789) 8.914 14.571 ( 1.355 -21.253 -17.245) 27.403 16.322 ( 13.258 5.668 -15.342) 21.054 16.413 ( -8.157 -1.335 -8.454) 11.823 18.935 ( -1.050 4.328 3.693) 5.786 19.871 ( -4.262 14.969 25.036) 29.480 ======================= Grid point 232 (138/226) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 13.045 -6.340 -12.794) 19.341 1.229 ( 16.039 -16.661 9.374) 24.954 1.437 ( -1.795 -16.229 -10.054) 19.175 2.492 ( 3.915 -3.722 0.247) 5.408 2.640 ( -2.255 -7.339 -12.207) 14.421 3.560 ( -4.543 -5.381 4.473) 8.343 3.774 ( 1.002 4.566 4.106) 6.222 3.795 ( 6.950 -1.866 0.928) 7.255 4.671 ( 0.969 -2.914 -3.829) 4.908 5.011 ( -3.686 -0.948 -2.097) 4.346 5.695 ( 4.153 2.986 11.268) 12.375 5.991 ( 1.142 1.673 -4.907) 5.308 7.627 ( -1.672 4.099 2.826) 5.252 8.171 ( -1.761 1.377 -0.788) 2.371 8.344 ( -1.392 -3.438 0.706) 3.776 8.786 ( 3.721 9.922 1.112) 10.655 9.371 ( -4.694 -0.321 -2.094) 5.150 9.717 ( -1.138 0.203 -1.432) 1.840 13.756 ( 4.463 -4.284 7.703) 9.879 14.314 ( 2.838 -17.828 -13.809) 22.729 16.103 ( -16.244 6.906 -16.016) 23.835 16.461 ( 5.077 -4.231 -3.455) 7.458 18.977 ( -0.935 3.237 2.713) 4.326 20.155 ( 4.083 12.889 17.825) 22.372 ======================= Grid point 268 (139/226) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 -0.000 22.332) 22.332 0.933 ( 0.000 -0.000 22.332) 22.332 1.198 ( 0.000 -0.000 28.289) 28.289 2.527 ( 0.000 -0.000 6.481) 6.481 2.527 ( 0.000 -0.000 6.481) 6.481 3.704 ( 0.000 -0.000 5.113) 5.113 3.704 ( 0.000 -0.000 5.113) 5.113 3.866 ( -0.000 0.000 -10.137) 10.137 4.916 ( 0.000 0.000 1.512) 1.512 4.916 ( 0.000 -0.000 1.512) 1.512 5.076 ( 0.000 -0.000 13.624) 13.624 6.790 ( -0.000 0.000 -6.732) 6.732 7.829 ( 0.000 -0.000 2.805) 2.805 8.232 ( -0.000 0.000 -0.941) 0.941 8.232 ( -0.000 0.000 -0.941) 0.941 9.139 ( 0.000 -0.000 0.316) 0.316 9.248 ( -0.000 0.000 -9.240) 9.240 9.248 ( -0.000 0.000 -9.240) 9.240 13.900 ( 0.000 -0.000 10.500) 10.500 13.900 ( 0.000 -0.000 10.500) 10.500 16.035 ( -0.000 0.000 -8.355) 8.355 16.035 ( -0.000 0.000 -8.355) 8.355 19.008 ( -0.000 0.000 -2.351) 2.351 20.889 ( 0.000 -0.000 0.898) 0.898 ======================= Grid point 269 (140/226) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -3.498 0.643 19.638) 19.958 1.219 ( 10.972 -4.817 19.435) 22.832 1.486 ( 5.086 8.778 22.069) 24.289 2.581 ( 3.527 -2.789 6.452) 7.864 2.621 ( 0.869 5.713 6.977) 9.060 3.627 ( -5.274 -2.199 1.011) 5.803 3.791 ( -0.773 -3.029 -4.881) 5.796 3.837 ( 4.370 5.636 6.840) 9.881 4.875 ( 0.299 -4.854 -0.544) 4.893 4.921 ( -3.456 2.855 5.592) 7.167 5.286 ( 8.880 4.854 7.290) 12.472 6.618 ( -9.828 -5.321 -4.746) 12.142 7.764 ( -5.916 -2.742 2.113) 6.855 8.203 ( -1.828 0.034 -0.758) 1.979 8.268 ( 2.110 2.133 0.317) 3.017 9.056 ( 0.309 -10.878 -4.218) 11.671 9.122 ( -2.814 4.361 -9.926) 11.201 9.394 ( 7.114 5.777 -4.623) 10.264 13.843 ( -3.328 -0.321 8.996) 9.597 14.176 ( 10.162 4.505 13.521) 17.504 15.791 ( -5.225 -8.191 -11.915) 15.373 16.301 ( 14.486 10.583 -5.132) 18.660 18.978 ( -1.395 -0.571 -2.869) 3.241 20.710 ( -13.966 -6.030 0.582) 15.223 ======================= Grid point 270 (141/226) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 8.229 4.449 8.970) 12.961 1.456 ( 10.375 -6.287 14.858) 19.182 1.757 ( 2.789 9.118 14.054) 16.983 2.672 ( 5.348 -3.390 7.701) 9.970 2.729 ( -0.201 5.595 6.306) 8.432 3.517 ( -4.675 -0.737 -5.163) 7.004 3.726 ( -1.306 -0.295 -0.846) 1.584 4.044 ( 7.392 4.318 8.496) 12.061 4.816 ( -1.176 -3.110 -3.837) 5.077 4.942 ( -1.578 1.716 6.974) 7.354 5.514 ( 8.062 5.172 4.101) 10.420 6.352 ( -10.820 -6.649 -5.234) 13.736 7.647 ( -5.891 -1.728 0.341) 6.149 8.168 ( -2.084 0.616 -0.077) 2.175 8.345 ( 2.840 3.528 1.463) 4.759 8.918 ( 1.890 -13.025 -6.750) 14.792 9.065 ( -3.307 3.513 -5.328) 7.188 9.516 ( 3.845 3.883 -0.786) 5.521 13.902 ( 1.663 4.237 8.215) 9.391 14.473 ( 9.752 3.148 12.906) 16.480 15.569 ( -1.864 -8.381 -11.822) 14.611 16.551 ( 5.628 3.916 5.236) 8.627 18.916 ( -2.588 -0.592 -3.786) 4.624 20.408 ( -12.857 -3.019 -7.568) 15.222 ======================= Grid point 271 (142/226) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 11.067 5.565 1.182) 12.444 1.614 ( 6.061 -5.266 7.931) 11.286 1.943 ( 2.245 7.422 7.404) 10.721 2.757 ( -1.251 -0.092 8.529) 8.620 2.804 ( 4.056 -0.901 2.681) 4.945 3.409 ( -1.404 -1.252 -7.211) 7.453 3.749 ( 1.220 5.387 0.142) 5.525 4.230 ( 4.927 1.196 4.319) 6.660 4.747 ( -0.343 -1.807 -2.612) 3.195 4.979 ( -0.731 0.759 5.804) 5.899 5.696 ( 4.856 5.708 -1.234) 7.595 6.073 ( -9.157 -7.735 -4.192) 12.699 7.545 ( -4.642 -0.650 -0.792) 4.754 8.152 ( -0.855 1.309 -0.009) 1.564 8.424 ( 2.761 0.053 -0.924) 2.912 8.819 ( 1.882 -5.299 -1.562) 5.836 9.002 ( -3.342 -1.420 -0.676) 3.694 9.590 ( 1.137 2.014 2.223) 3.208 14.084 ( 6.425 7.881 8.524) 13.268 14.669 ( 4.091 -1.187 3.649) 5.608 15.466 ( 4.134 -4.079 -2.671) 6.393 16.612 ( -6.922 -4.085 17.407) 19.173 18.841 ( -2.497 0.038 -4.529) 5.172 20.147 ( -6.267 0.863 -19.839) 20.823 ======================= Grid point 272 (143/226) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 2.489 2.519 0.735) 3.617 1.684 ( 5.393 0.092 -0.791) 5.452 2.067 ( 1.897 3.018 2.055) 4.115 2.738 ( -5.185 0.859 4.144) 6.693 2.870 ( 4.444 -5.194 3.523) 7.690 3.365 ( 2.275 -0.150 -8.351) 8.657 3.858 ( 3.922 8.639 -2.005) 9.698 4.240 ( -2.745 -0.850 -5.848) 6.516 4.777 ( 4.974 -2.995 5.269) 7.841 4.995 ( -1.469 -0.301 3.827) 4.110 5.621 ( -7.679 -3.352 -16.351) 18.373 5.998 ( 2.287 1.982 6.635) 7.293 7.473 ( -2.802 0.159 -1.350) 3.115 8.160 ( 0.920 0.894 -1.694) 2.125 8.398 ( 0.990 -5.676 -4.999) 7.628 8.897 ( -0.524 8.648 8.663) 12.252 8.914 ( -0.178 -7.995 2.750) 8.456 9.625 ( -0.506 0.121 4.033) 4.067 14.363 ( 9.882 7.957 9.471) 15.832 14.618 ( -2.931 -4.426 -8.639) 10.140 15.605 ( 9.166 1.529 10.596) 14.094 16.474 ( -17.451 -9.128 24.998) 31.823 18.786 ( -0.795 0.814 -4.593) 4.732 19.965 ( 1.050 3.283 -29.880) 30.078 ======================= Grid point 273 (144/226) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -5.652 -0.443 -1.962) 5.999 1.799 ( 3.924 4.560 -0.974) 6.094 2.050 ( -3.029 -3.907 -5.095) 7.100 2.689 ( -3.189 0.622 1.814) 3.721 2.891 ( 0.889 -6.390 6.060) 8.851 3.354 ( 2.936 1.462 -10.443) 10.946 3.997 ( 4.887 6.846 -5.998) 10.331 4.107 ( -4.329 -1.167 -9.130) 10.172 4.861 ( 2.617 -2.281 5.757) 6.723 4.970 ( -3.290 -2.364 4.488) 6.046 5.362 ( -3.246 -3.706 -16.633) 17.348 6.106 ( 1.775 3.710 2.917) 5.042 7.442 ( -0.440 1.056 -1.391) 1.801 8.162 ( 2.260 -2.064 -5.236) 6.065 8.347 ( 0.208 -0.568 -1.601) 1.712 8.788 ( -4.851 -9.862 6.974) 13.017 9.119 ( 3.858 11.247 10.924) 16.147 9.628 ( -1.047 -2.418 4.578) 5.282 14.384 ( -3.957 -8.142 -14.041) 16.706 14.711 ( 7.849 8.913 13.738) 18.160 15.869 ( 8.965 1.743 14.827) 17.414 16.213 ( -21.486 -7.740 26.455) 34.949 18.775 ( 1.528 1.456 -4.244) 4.740 19.860 ( 6.419 4.284 -34.926) 35.769 ======================= Grid point 274 (145/226) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -10.034 0.884 -5.126) 11.302 1.809 ( -7.067 -9.351 -7.166) 13.738 1.871 ( -2.625 0.213 -2.485) 3.621 2.652 ( -2.581 -0.958 -0.692) 2.839 2.861 ( -3.624 -3.283 9.073) 10.306 3.384 ( 6.593 2.122 -8.967) 11.330 3.918 ( -2.089 -9.294 -7.667) 12.228 4.077 ( -3.090 8.200 -8.927) 12.509 4.871 ( -5.622 -4.052 7.392) 10.132 4.935 ( 1.505 5.187 -0.824) 5.464 5.275 ( 6.622 -2.705 -12.631) 14.516 6.141 ( -1.092 0.978 -1.375) 2.010 7.462 ( 1.957 2.084 -1.435) 3.199 8.145 ( 2.383 -1.712 -4.479) 5.354 8.371 ( 1.011 4.139 -1.449) 4.500 8.659 ( -4.269 -11.360 9.682) 15.524 9.355 ( 1.907 12.180 9.904) 15.814 9.606 ( 0.043 -5.595 4.661) 7.283 14.133 ( -5.843 -6.441 -14.707) 17.086 14.940 ( -1.396 -0.135 18.737) 18.789 15.968 ( -3.447 -11.729 19.262) 22.814 16.161 ( -2.215 11.616 18.667) 22.098 18.809 ( 3.324 2.196 -4.072) 5.697 19.810 ( 9.108 4.961 -35.701) 37.177 ======================= Grid point 275 (146/226) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -15.973 2.025 -6.486) 17.358 1.448 ( -7.495 -20.176 -14.316) 25.849 1.813 ( -7.472 0.204 4.597) 8.776 2.568 ( -3.832 -3.218 -0.110) 5.005 2.845 ( -4.596 0.219 11.343) 12.241 3.499 ( 9.578 2.278 -5.982) 11.521 3.751 ( -1.452 -9.822 -4.460) 10.884 3.967 ( -10.477 6.621 -9.138) 15.398 4.775 ( -4.386 -4.890 5.107) 8.320 5.047 ( 1.465 6.080 3.117) 6.988 5.337 ( 11.366 2.377 -13.835) 18.063 6.079 ( -3.246 -2.491 -2.753) 4.932 7.520 ( 3.275 2.721 -2.269) 4.825 8.162 ( 1.873 1.499 -1.466) 2.811 8.411 ( 0.437 3.069 -4.320) 5.317 8.577 ( -0.537 -7.935 10.660) 13.300 9.476 ( -3.047 3.520 2.549) 5.307 9.636 ( 3.932 -0.968 8.022) 8.986 13.894 ( -5.791 -4.223 -12.419) 14.339 14.853 ( -15.667 -9.922 19.747) 27.090 16.072 ( 9.471 -4.811 19.126) 21.878 16.335 ( -2.561 8.906 13.914) 16.718 18.870 ( 3.872 2.956 -4.049) 6.335 19.805 ( 9.881 6.872 -33.163) 35.279 ======================= Grid point 280 (147/226) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 4.240 -7.797 21.687) 23.433 1.242 ( -8.522 -2.444 20.296) 22.148 1.660 ( 2.634 9.872 18.901) 21.486 2.600 ( -1.581 0.219 6.309) 6.507 2.721 ( 1.883 10.821 5.067) 12.096 3.655 ( 0.595 -6.681 -4.582) 8.123 3.733 ( -1.705 -1.617 5.389) 5.879 3.854 ( 1.801 0.810 4.805) 5.195 4.831 ( -1.187 -5.350 -0.057) 5.481 5.007 ( 1.229 4.512 1.245) 4.839 5.315 ( -0.116 4.468 9.945) 10.904 6.563 ( 0.115 -12.485 -5.666) 13.711 7.760 ( 0.532 -8.957 1.853) 9.162 8.207 ( 1.046 0.156 -1.248) 1.636 8.278 ( 0.736 2.943 0.630) 3.098 8.901 ( -4.544 -9.043 -5.467) 11.503 9.216 ( -0.127 3.949 -2.454) 4.651 9.358 ( 1.790 13.701 -9.977) 17.043 13.861 ( 1.148 -8.424 10.535) 13.537 14.310 ( -0.872 16.308 14.044) 21.540 15.891 ( -7.731 8.033 -13.581) 17.571 16.147 ( 5.521 12.386 -8.186) 15.840 18.956 ( 0.210 -2.128 -2.991) 3.677 20.665 ( 1.440 -23.488 2.331) 23.647 ======================= Grid point 281 (148/226) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -1.561 -2.416 16.878) 17.122 1.322 ( 8.254 -7.950 19.002) 22.190 1.889 ( 1.954 7.349 12.966) 15.031 2.639 ( 1.394 0.047 6.029) 6.188 2.875 ( -1.559 11.394 5.156) 12.603 3.520 ( -3.426 -5.522 -6.454) 9.159 3.721 ( -0.364 -1.618 1.062) 1.969 3.984 ( 7.789 -2.008 8.446) 11.663 4.760 ( -0.297 -5.247 -2.404) 5.779 5.048 ( -2.210 4.738 1.935) 5.575 5.460 ( 6.277 1.209 7.500) 9.855 6.359 ( -5.375 -11.988 -4.653) 13.938 7.670 ( -1.743 -7.568 0.159) 7.768 8.210 ( -0.968 0.988 -0.393) 1.438 8.322 ( 2.620 -0.682 -1.760) 3.229 8.767 ( -1.491 -1.697 -2.042) 3.046 9.168 ( -5.619 3.641 -2.600) 7.183 9.498 ( 4.561 9.982 -5.735) 12.383 13.902 ( 4.106 -5.266 10.577) 12.509 14.571 ( 1.071 16.282 13.303) 21.052 15.636 ( -14.728 7.572 -11.891) 20.387 16.450 ( 14.256 10.686 -4.476) 18.370 18.905 ( -0.879 -2.789 -3.628) 4.660 20.392 ( -4.842 -24.826 -1.962) 25.370 ======================= Grid point 282 (149/226) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 6.446 0.874 7.001) 9.556 1.509 ( 7.996 -6.342 13.758) 17.130 2.027 ( 0.354 4.398 6.627) 7.961 2.718 ( 3.723 -1.433 6.111) 7.297 2.937 ( -5.884 8.218 4.541) 11.080 3.362 ( -2.544 -6.282 -7.569) 10.160 3.746 ( 3.143 2.726 -1.409) 4.392 4.128 ( 7.547 -6.283 5.234) 11.128 4.695 ( 0.714 -4.471 -2.497) 5.170 5.063 ( -2.696 4.083 2.284) 5.400 5.608 ( 7.223 -3.104 2.362) 8.209 6.126 ( -7.773 -6.394 -1.848) 10.233 7.572 ( -2.103 -4.887 -1.196) 5.453 8.193 ( -2.138 1.374 -0.383) 2.570 8.309 ( 3.453 -7.094 -5.145) 9.419 8.802 ( 0.498 8.363 3.448) 9.060 9.087 ( -5.537 0.991 0.137) 5.626 9.610 ( 2.068 6.497 -1.607) 7.005 14.037 ( 8.422 -2.628 10.671) 13.846 14.748 ( -4.471 10.524 2.954) 11.810 15.506 ( -4.940 12.837 -0.482) 13.764 16.693 ( 5.470 2.715 6.340) 8.803 18.833 ( -1.348 -2.617 -4.351) 5.253 20.037 ( -4.532 -20.421 -13.472) 24.881 ======================= Grid point 283 (150/226) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 11.063 4.428 -0.321) 11.921 1.608 ( 2.376 -4.479 6.461) 8.213 2.073 ( -0.019 0.066 -0.060) 0.091 2.789 ( 3.017 -3.309 2.961) 5.368 2.904 ( -8.074 4.979 3.833) 10.231 3.258 ( 2.221 -4.194 -6.633) 8.156 3.845 ( 4.872 5.780 -3.038) 8.147 4.141 ( 2.920 -10.202 -4.173) 11.402 4.698 ( 4.234 -3.909 4.265) 7.169 5.063 ( -2.998 3.092 1.543) 4.575 5.584 ( -2.680 -7.204 -8.849) 11.721 6.035 ( -0.819 1.416 5.574) 5.809 7.494 ( -1.743 -2.425 -1.741) 3.457 8.149 ( -1.551 -1.390 -3.846) 4.373 8.281 ( 3.370 -4.321 -1.742) 5.750 8.899 ( -1.900 2.035 0.580) 2.844 9.060 ( -1.349 6.862 9.509) 11.804 9.671 ( -0.497 3.384 1.381) 3.689 14.251 ( 11.262 -2.861 9.585) 15.063 14.668 ( -7.975 3.796 -7.597) 11.650 15.704 ( 1.328 20.415 13.106) 24.296 16.750 ( -6.463 -5.463 18.215) 20.085 18.764 ( -0.576 -1.674 -4.671) 4.995 19.704 ( 1.261 -14.266 -27.489) 30.996 ======================= Grid point 284 (151/226) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -3.594 -0.281 0.652) 3.663 1.705 ( 10.606 3.786 -1.862) 11.414 2.002 ( -2.442 -7.017 -7.820) 10.787 2.753 ( -2.287 -1.914 -3.565) 4.647 2.893 ( -1.600 0.756 9.530) 9.693 3.243 ( 3.030 -0.086 -8.816) 9.323 3.959 ( 2.224 3.371 -3.810) 5.552 4.018 ( 2.513 -6.866 -9.785) 12.215 4.798 ( 6.388 -3.573 8.151) 10.954 5.041 ( -3.592 1.360 2.186) 4.419 5.350 ( -8.715 -2.459 -13.332) 16.116 6.109 ( 2.358 0.871 3.717) 4.487 7.448 ( -0.738 -0.409 -1.690) 1.889 8.087 ( 0.182 -1.986 -4.780) 5.179 8.312 ( 2.969 -0.126 0.534) 3.019 8.807 ( -4.634 -7.634 3.792) 9.702 9.255 ( 2.730 11.874 11.162) 16.524 9.675 ( -2.689 0.070 2.961) 4.000 14.324 ( -3.475 -2.980 -8.636) 9.774 14.665 ( 9.351 -0.626 9.506) 13.350 16.010 ( -1.585 18.304 16.734) 24.851 16.628 ( -15.210 -6.698 24.445) 29.560 18.729 ( 1.229 -0.278 -4.640) 4.808 19.477 ( 9.192 -7.727 -36.714) 38.628 ======================= Grid point 285 (152/226) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -6.869 -0.605 -2.966) 7.506 1.742 ( -7.696 -13.626 -12.743) 20.181 1.880 ( 4.835 4.124 -0.619) 6.385 2.693 ( -2.035 0.006 -1.929) 2.804 2.941 ( -1.200 -0.100 10.368) 10.438 3.238 ( 4.014 2.520 -12.096) 12.992 3.819 ( -2.341 -9.557 -6.079) 11.566 4.101 ( 3.873 8.032 -7.932) 11.934 4.930 ( 5.520 0.499 6.194) 8.312 4.979 ( -6.564 -4.524 6.163) 10.077 5.145 ( -2.934 4.782 -17.103) 17.999 6.140 ( -0.010 -1.475 0.020) 1.475 7.443 ( 1.010 1.066 -1.656) 2.213 8.070 ( 2.123 0.494 -3.914) 4.480 8.370 ( 2.238 2.044 -0.414) 3.059 8.681 ( -4.018 -10.540 9.047) 14.460 9.482 ( 3.375 9.466 10.089) 14.239 9.619 ( -4.089 -3.539 2.932) 6.151 14.120 ( -7.764 -1.170 -12.612) 14.856 14.927 ( 12.347 -6.561 17.162) 22.136 16.076 ( -12.132 -6.301 19.300) 23.651 16.567 ( -9.781 12.650 18.257) 24.269 18.744 ( 3.213 1.690 -4.559) 5.828 19.400 ( 14.261 -0.304 -36.959) 39.616 ======================= Grid point 286 (153/226) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -8.148 -11.090 -9.819) 16.905 1.373 ( -13.784 -3.957 -9.790) 17.364 1.936 ( -2.535 1.704 3.235) 4.449 2.626 ( -4.791 -0.777 -0.519) 4.881 2.981 ( -2.399 0.555 10.929) 11.203 3.307 ( 9.057 3.653 -10.134) 14.074 3.678 ( -1.255 -5.617 -3.303) 6.636 4.121 ( -5.227 7.344 -8.421) 12.335 4.837 ( -5.605 -4.841 2.024) 7.678 5.057 ( 3.980 -4.497 7.780) 9.828 5.153 ( 6.028 15.144 -17.082) 23.611 6.086 ( -2.694 -3.692 -0.776) 4.636 7.477 ( 2.634 1.872 -2.238) 3.931 8.116 ( 3.649 3.461 -3.394) 6.067 8.397 ( 0.368 0.164 -3.121) 3.147 8.612 ( -1.819 -7.380 13.768) 15.727 9.513 ( -3.797 -7.307 1.772) 8.423 9.663 ( 2.603 5.455 7.365) 9.528 13.913 ( -7.472 0.789 -10.500) 12.911 15.064 ( -2.947 -11.972 20.371) 23.811 15.946 ( -0.303 -12.846 18.365) 22.414 16.638 ( -7.783 9.724 7.427) 14.501 18.806 ( 4.161 3.505 -4.088) 6.805 19.475 ( 14.642 10.259 -30.491) 35.346 ======================= Grid point 291 (154/226) ======================= q-point: ( 0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -2.138 -2.169 16.348) 16.630 1.520 ( -10.932 -0.948 15.005) 18.589 1.791 ( 2.485 4.182 13.055) 13.932 2.689 ( -3.393 -0.045 6.615) 7.434 2.827 ( 2.524 12.405 4.415) 13.407 3.511 ( 4.012 -5.885 -3.284) 7.843 3.741 ( 2.831 -2.216 0.931) 3.714 3.958 ( -9.906 -2.045 9.200) 13.672 4.784 ( -0.224 -4.968 -4.056) 6.418 5.017 ( 2.916 3.718 3.023) 5.609 5.447 ( -5.409 0.045 6.207) 8.233 6.369 ( 4.719 -10.412 -3.973) 12.102 7.645 ( 2.608 -8.948 0.596) 9.340 8.172 ( 1.813 -0.288 -1.142) 2.162 8.307 ( -2.244 0.570 0.428) 2.355 8.932 ( -5.426 -2.493 0.976) 6.051 9.145 ( 9.725 8.865 -7.641) 15.217 9.459 ( -4.721 8.264 -5.731) 11.110 13.855 ( -2.352 -7.054 10.373) 12.763 14.601 ( -2.314 17.388 12.894) 21.770 15.790 ( 14.903 15.080 -12.794) 24.763 16.396 ( -17.758 9.336 -5.587) 20.826 18.891 ( 1.465 -4.002 -3.486) 5.506 20.329 ( 6.964 -28.865 0.050) 29.693 ======================= Grid point 292 (155/226) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 3.826 -5.440 20.691) 21.733 1.390 ( -10.060 -5.832 15.684) 19.524 1.967 ( 4.099 3.349 8.756) 10.231 2.688 ( -1.862 0.794 5.429) 5.794 3.027 ( 2.156 14.098 2.592) 14.496 3.448 ( -0.919 -7.102 -6.191) 9.466 3.768 ( -3.860 -1.832 5.132) 6.677 3.860 ( 3.832 -9.153 6.102) 11.649 4.691 ( -0.467 -6.022 -5.004) 7.844 5.107 ( 1.377 4.697 0.075) 4.895 5.427 ( 0.911 -5.617 7.830) 9.680 6.289 ( -1.066 -7.605 -1.330) 7.794 7.585 ( 1.111 -9.291 -0.252) 9.361 8.195 ( 1.917 -1.093 -1.486) 2.660 8.262 ( -1.032 -2.262 -2.868) 3.795 8.890 ( -4.734 7.419 6.253) 10.796 9.257 ( -1.422 3.828 -2.853) 4.982 9.482 ( 2.986 11.956 -9.776) 15.730 13.850 ( 2.088 -7.017 11.050) 13.255 14.849 ( -1.188 20.950 11.490) 23.924 15.965 ( -14.056 16.526 -11.724) 24.660 16.287 ( 9.176 13.142 -8.991) 18.378 18.844 ( 0.890 -5.140 -3.521) 6.294 20.095 ( 2.882 -37.342 2.018) 37.508 ======================= Grid point 293 (156/226) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -3.670 -4.226 13.093) 14.239 1.410 ( 7.820 -6.325 17.312) 20.021 2.075 ( 1.516 0.140 3.407) 3.732 2.711 ( 0.362 -0.267 4.795) 4.817 3.161 ( -3.730 11.111 3.467) 12.222 3.278 ( -4.002 -9.108 -7.324) 12.353 3.705 ( 0.369 -1.862 -0.520) 1.968 3.934 ( 8.758 -10.533 3.972) 14.263 4.611 ( 1.442 -5.979 -2.596) 6.676 5.152 ( -1.366 5.325 -0.692) 5.541 5.455 ( 5.379 -10.112 6.379) 13.110 6.190 ( -4.749 -1.740 1.089) 5.173 7.513 ( 0.646 -7.245 -1.239) 7.379 8.163 ( 1.567 -6.740 -3.701) 7.847 8.230 ( -1.037 1.556 -0.990) 2.116 8.979 ( -3.072 13.777 6.762) 15.651 9.190 ( -5.768 1.691 -1.860) 6.292 9.611 ( 4.322 9.330 -5.695) 11.754 13.933 ( 6.607 -5.929 11.348) 14.408 15.015 ( -9.236 17.124 -0.562) 19.465 15.827 ( -11.154 21.364 1.566) 24.152 16.589 ( 13.315 9.188 -3.861) 16.631 18.780 ( 0.224 -4.936 -3.805) 6.237 19.740 ( -0.730 -37.239 -4.650) 37.536 ======================= Grid point 294 (157/226) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 6.403 -0.381 4.006) 7.563 1.573 ( 4.551 -4.037 12.304) 13.726 2.053 ( -1.087 -4.972 -4.017) 6.483 2.740 ( 1.060 -2.952 2.614) 4.083 3.082 ( -3.930 -7.761 -3.194) 9.267 3.189 ( -4.342 7.553 1.968) 8.931 3.746 ( 6.975 -0.468 -5.340) 8.797 3.958 ( 4.135 -9.274 -0.556) 10.170 4.607 ( 4.487 -5.483 3.744) 8.013 5.161 ( -3.084 5.017 -0.466) 5.908 5.462 ( 3.373 -10.088 1.052) 10.689 6.126 ( -4.272 1.838 3.175) 5.631 7.456 ( 0.673 -4.621 -1.746) 4.986 8.103 ( 0.663 -4.639 -3.322) 5.744 8.229 ( 0.178 0.423 0.657) 0.801 9.013 ( -8.053 5.681 -4.324) 10.762 9.198 ( 0.836 7.670 10.101) 12.711 9.711 ( 1.265 6.240 -1.894) 6.643 14.092 ( 10.151 -5.717 11.210) 16.168 14.862 ( -15.416 9.571 -12.522) 22.047 16.062 ( -1.492 29.892 16.493) 34.173 16.806 ( 5.601 0.345 6.356) 8.479 18.715 ( 0.133 -3.542 -3.897) 5.268 19.320 ( 0.189 -31.825 -17.811) 36.471 ======================= Grid point 295 (158/226) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 12.939 4.327 -2.644) 13.897 1.622 ( -1.875 -2.056 5.909) 6.531 1.898 ( -2.403 -10.794 -10.463) 15.224 2.699 ( -0.159 -5.077 -2.637) 5.723 3.001 ( -0.580 -3.139 5.200) 6.102 3.206 ( -2.759 7.691 -2.246) 8.474 3.807 ( 6.729 -7.104 -7.832) 12.533 3.927 ( 1.681 0.495 -2.334) 2.919 4.696 ( 7.059 -4.891 8.401) 12.013 5.141 ( -4.151 3.352 0.540) 5.362 5.372 ( -3.796 -4.122 -6.086) 8.273 6.121 ( -0.841 0.512 3.478) 3.614 7.425 ( 0.843 -2.164 -1.787) 2.930 8.056 ( -0.601 -1.253 -2.207) 2.608 8.263 ( 3.000 -0.442 1.743) 3.498 8.869 ( -7.809 -1.941 -1.719) 8.228 9.381 ( 2.581 9.153 9.349) 13.336 9.743 ( -2.220 2.625 0.602) 3.490 14.268 ( 7.043 -4.301 6.046) 10.230 14.639 ( -7.303 3.743 -8.041) 11.489 16.422 ( -6.223 25.642 20.407) 33.358 16.866 ( -3.341 -4.259 16.065) 16.952 18.672 ( 0.988 -1.684 -4.268) 4.693 18.967 ( 8.681 -20.367 -30.685) 37.839 ======================= Grid point 296 (159/226) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -7.520 -5.416 -5.023) 10.541 1.675 ( -4.449 -7.398 -5.124) 10.039 1.768 ( 12.120 5.633 -3.754) 13.882 2.661 ( 1.997 -1.653 -2.511) 3.610 3.025 ( 0.325 -1.012 7.109) 7.188 3.198 ( -3.241 7.021 -6.985) 10.420 3.729 ( -0.379 -7.227 -4.578) 8.564 4.020 ( 7.124 5.228 -6.124) 10.751 4.839 ( 7.730 -4.245 9.406) 12.894 5.082 ( -5.973 -2.469 3.384) 7.295 5.213 ( -7.063 7.074 -13.451) 16.759 6.127 ( -0.179 -1.931 1.864) 2.690 7.420 ( 1.246 -0.266 -1.670) 2.101 8.041 ( 0.390 1.734 -2.085) 2.740 8.333 ( 3.697 0.264 1.383) 3.956 8.714 ( -5.615 -6.698 3.638) 9.467 9.558 ( 2.871 5.122 8.147) 10.042 9.694 ( -5.035 -0.817 1.049) 5.207 14.209 ( -9.139 3.847 -9.824) 13.958 14.709 ( 13.392 -7.706 11.193) 19.078 16.443 ( -19.088 -5.718 23.920) 31.132 16.900 ( -6.645 8.869 9.235) 14.425 18.678 ( 3.554 2.285 -4.738) 6.349 18.886 ( 18.503 -2.378 -30.412) 35.678 ======================= Grid point 297 (160/226) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -10.742 -7.444 -7.134) 14.890 1.537 ( -8.426 2.532 -1.420) 8.912 1.955 ( 5.220 3.410 0.576) 6.262 2.668 ( -0.577 -0.142 -1.283) 1.414 3.077 ( -0.418 0.598 8.540) 8.571 3.177 ( 2.228 5.736 -10.620) 12.274 3.643 ( -1.064 -1.741 -2.202) 3.002 4.143 ( 4.595 6.365 -7.522) 10.872 4.880 ( -4.935 -5.744 -1.962) 7.823 4.991 ( 1.237 -5.512 7.481) 9.374 5.186 ( 0.008 16.466 -10.557) 19.560 6.091 ( -2.061 -3.577 1.225) 4.306 7.439 ( 2.032 0.868 -1.795) 2.847 8.080 ( 2.631 4.510 -3.179) 6.113 8.373 ( 0.155 -0.105 -2.417) 2.425 8.637 ( 0.043 -7.701 11.858) 14.139 9.540 ( -6.737 -7.754 2.822) 10.652 9.703 ( 2.185 3.006 3.569) 5.153 14.028 ( -9.712 6.207 -9.251) 14.780 14.945 ( 13.580 -12.482 15.839) 24.313 16.140 ( -19.138 -13.799 22.557) 32.642 16.819 ( -8.581 -2.623 -5.133) 10.338 18.750 ( 3.829 3.342 -2.982) 5.893 19.144 ( 20.933 18.592 -21.316) 35.189 ======================= Grid point 302 (161/226) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -7.306 2.621 7.021) 10.466 1.736 ( -1.692 3.641 6.727) 7.834 1.843 ( -4.266 -4.024 7.549) 9.559 2.770 ( -1.264 -0.866 5.766) 5.966 2.924 ( 2.182 9.822 3.611) 10.690 3.391 ( 2.448 -2.862 -3.252) 4.976 3.683 ( -0.394 -4.076 0.633) 4.143 4.150 ( -8.131 -4.336 4.012) 10.051 4.726 ( -1.893 -1.920 -2.283) 3.533 5.028 ( 1.854 2.351 2.990) 4.231 5.544 ( -6.365 -6.293 0.739) 8.981 6.179 ( 7.489 -3.026 -1.870) 8.292 7.530 ( 1.868 -6.830 -0.372) 7.091 8.139 ( 0.693 -0.371 -0.969) 1.247 8.368 ( -4.824 -1.495 0.271) 5.057 8.954 ( 6.206 1.042 -0.480) 6.311 9.061 ( 3.469 10.325 -1.703) 11.025 9.569 ( -3.567 4.536 -1.524) 5.968 13.952 ( -8.718 -5.463 10.456) 14.669 14.815 ( 3.875 14.211 3.176) 15.068 15.672 ( 9.834 18.464 -3.082) 21.146 16.685 ( -7.611 3.514 5.384) 9.964 18.796 ( 1.147 -5.248 -3.968) 6.678 19.935 ( 3.284 -25.405 -10.853) 27.821 ======================= Grid point 303 (162/226) ======================= q-point: ( 0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -1.824 -2.587 15.061) 15.390 1.624 ( -12.529 -4.833 10.828) 17.250 1.914 ( 7.083 -1.599 1.761) 7.472 2.769 ( -2.671 0.356 4.727) 5.441 3.086 ( 4.409 7.486 0.778) 8.722 3.375 ( 0.124 -1.918 -3.595) 4.077 3.662 ( 4.994 -9.415 2.131) 10.868 3.959 ( -10.607 -6.082 4.215) 12.934 4.624 ( -3.511 -5.094 -2.820) 6.799 5.108 ( 2.801 2.803 1.060) 4.101 5.412 ( -2.192 -8.719 4.325) 9.976 6.238 ( 2.402 -0.685 0.157) 2.503 7.478 ( 0.977 -7.837 -0.116) 7.898 8.142 ( 0.802 -1.881 -1.942) 2.820 8.269 ( -3.079 -1.524 -1.237) 3.652 9.045 ( 1.357 4.189 5.599) 7.123 9.255 ( 4.926 11.892 -2.174) 13.055 9.534 ( -3.601 7.680 -7.007) 11.003 13.860 ( -3.093 -6.410 10.909) 13.025 15.077 ( 5.279 19.328 1.356) 20.082 16.051 ( 11.430 23.162 -1.784) 25.890 16.506 ( -19.019 9.815 -6.587) 22.393 18.736 ( 1.894 -7.789 -2.652) 8.443 19.652 ( 4.720 -38.858 -1.513) 39.173 ======================= Grid point 304 (163/226) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 5.199 -5.291 18.915) 20.317 1.431 ( -11.265 -6.883 11.802) 17.708 1.992 ( 5.566 -5.311 -3.119) 8.302 2.755 ( -2.168 0.164 3.213) 3.880 3.130 ( 0.249 -9.811 -2.458) 10.117 3.359 ( -0.122 8.720 -4.787) 9.948 3.676 ( 2.797 -11.019 3.910) 12.022 3.791 ( -4.116 -2.245 4.748) 6.672 4.514 ( -0.177 -7.418 -0.348) 7.429 5.183 ( 2.377 3.123 -0.471) 3.953 5.351 ( 0.635 -8.749 5.921) 10.583 6.251 ( -1.437 1.274 0.923) 2.131 7.420 ( 0.943 -6.922 -0.233) 6.989 8.083 ( -0.697 -5.248 -1.914) 5.630 8.250 ( -0.196 2.175 -1.303) 2.543 9.159 ( 1.862 5.222 6.543) 8.576 9.319 ( -7.772 8.675 -2.813) 11.982 9.585 ( 4.725 10.947 -7.258) 13.959 13.866 ( 2.524 -6.241 11.158) 13.031 15.309 ( -3.038 21.084 -6.996) 22.421 16.246 ( -14.321 17.170 -1.100) 22.385 16.466 ( 10.310 17.873 -1.924) 20.723 18.679 ( 2.299 -8.180 -1.692) 8.663 19.310 ( 2.320 -43.742 -0.120) 43.803 ======================= Grid point 305 (164/226) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -3.523 -5.456 8.246) 10.496 1.532 ( 6.559 -4.492 17.206) 18.953 1.935 ( 1.344 -10.155 -9.033) 13.657 2.738 ( -1.665 -1.626 2.005) 3.072 2.979 ( -0.972 -11.381 -0.743) 11.446 3.408 ( -2.898 8.024 -2.567) 8.909 3.599 ( -0.599 -4.323 0.701) 4.420 3.836 ( 4.736 -2.466 2.798) 6.028 4.488 ( 4.633 -8.020 4.547) 10.318 5.236 ( -0.131 5.300 -2.431) 5.832 5.326 ( 2.638 -10.097 5.887) 11.982 6.230 ( -3.602 2.009 0.875) 4.216 7.379 ( 1.407 -5.038 -0.505) 5.255 8.032 ( 1.085 -3.758 -0.437) 3.936 8.252 ( -1.154 1.564 -0.666) 2.054 9.181 ( -8.376 2.406 -4.680) 9.892 9.309 ( 0.526 9.371 4.716) 10.504 9.726 ( 3.268 8.852 -3.355) 10.014 13.958 ( 7.057 -6.539 11.378) 14.900 15.195 ( -19.654 16.278 -17.956) 31.204 16.417 ( 7.299 23.547 7.211) 25.685 16.758 ( 3.653 12.737 6.650) 14.825 18.635 ( 2.547 -7.368 -1.229) 7.892 18.882 ( -1.264 -41.154 -6.631) 41.704 ======================= Grid point 306 (165/226) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 7.686 -0.288 1.282) 7.797 1.665 ( 2.015 -2.834 11.866) 12.365 1.753 ( -2.278 -10.563 -10.870) 15.328 2.670 ( -2.986 -3.479 -0.252) 4.592 2.937 ( 3.581 -5.306 3.839) 7.465 3.389 ( -5.676 7.057 -1.348) 9.156 3.600 ( 4.792 -3.219 -2.661) 6.357 3.886 ( 2.009 -0.173 -0.547) 2.089 4.570 ( 8.082 -6.608 8.938) 13.743 5.233 ( -3.227 1.929 -1.154) 3.933 5.318 ( 2.019 -4.776 0.657) 5.226 6.187 ( -3.704 1.118 0.806) 3.952 7.364 ( 1.902 -2.928 -0.807) 3.583 8.037 ( 1.510 -0.989 1.161) 2.146 8.242 ( -0.191 -0.045 0.644) 0.673 9.004 ( -10.610 1.770 -5.502) 12.082 9.449 ( 3.435 5.759 4.171) 7.897 9.801 ( -0.672 4.481 -1.134) 4.671 14.112 ( 10.075 -7.042 11.332) 16.718 14.872 ( -19.497 12.475 -17.764) 29.177 16.853 ( 11.457 4.195 2.954) 12.554 16.920 ( -7.549 23.053 20.570) 31.805 18.434 ( 4.229 -33.045 -16.126) 37.012 18.624 ( 1.195 -1.531 -1.505) 2.457 ======================= Grid point 307 (166/226) ======================= q-point: (-0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 2.941 -4.256 -4.631) 6.943 1.591 ( 5.366 3.445 -7.093) 9.538 1.703 ( -1.958 -1.215 7.233) 7.591 2.621 ( -0.187 0.307 -0.310) 0.475 2.992 ( 3.715 -2.258 3.816) 5.785 3.340 ( -5.995 4.855 -2.275) 8.043 3.634 ( 3.025 -0.974 -2.498) 4.042 3.921 ( 4.077 1.160 -3.002) 5.194 4.724 ( 8.568 -4.524 10.141) 14.026 5.155 ( -4.482 -3.901 -0.158) 5.944 5.296 ( -2.719 5.180 -5.448) 7.994 6.144 ( -2.260 -0.936 1.158) 2.707 7.374 ( 2.155 -1.091 -0.983) 2.608 8.059 ( -0.483 2.193 0.391) 2.279 8.275 ( 3.795 -1.350 2.805) 4.908 8.803 ( -9.690 -1.510 -3.259) 10.334 9.579 ( 4.001 2.804 3.299) 5.895 9.770 ( -4.538 -0.990 -0.247) 4.652 14.273 ( 5.702 -3.199 6.519) 9.233 14.616 ( -8.386 5.569 -9.124) 13.586 16.796 ( -13.154 -13.457 20.268) 27.657 17.093 ( -7.140 4.072 -2.942) 8.730 18.377 ( 21.115 4.588 -14.301) 25.911 18.646 ( 2.294 1.549 -0.999) 2.943 ======================= Grid point 308 (167/226) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -8.628 1.473 -0.792) 8.789 1.675 ( -4.652 2.285 2.133) 5.604 1.827 ( 13.010 4.538 -3.007) 14.103 2.651 ( 1.316 1.621 0.039) 2.089 3.070 ( 4.146 4.317 -1.690) 6.220 3.249 ( -7.096 0.248 1.226) 7.206 3.650 ( -0.115 3.071 -1.366) 3.363 4.025 ( 8.570 3.064 -4.986) 10.378 4.850 ( 3.228 -5.377 6.349) 8.924 5.011 ( -5.658 -4.487 -1.726) 7.424 5.298 ( -1.717 12.792 -5.638) 14.085 6.102 ( -1.871 -2.878 1.675) 3.819 7.400 ( 2.187 0.153 -1.023) 2.419 8.079 ( 0.380 4.177 -1.906) 4.607 8.352 ( 2.642 0.308 1.053) 2.861 8.640 ( -3.796 -6.072 3.579) 8.005 9.617 ( -7.773 -5.977 2.703) 10.171 9.683 ( 3.132 -0.694 -0.233) 3.216 14.230 ( -10.650 9.645 -7.502) 16.209 14.674 ( 13.411 -9.609 9.974) 19.278 16.463 ( -18.780 -20.066 17.296) 32.473 16.835 ( -10.091 -11.480 -10.678) 18.645 18.690 ( 4.945 1.666 -2.159) 5.647 18.910 ( 21.944 29.467 -7.318) 37.462 ======================= Grid point 313 (168/226) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -7.304 2.392 1.114) 7.766 1.700 ( 4.051 -1.985 -2.603) 5.208 1.993 ( -7.841 -0.775 3.834) 8.763 2.773 ( 2.710 -1.846 3.660) 4.914 2.992 ( 1.335 7.939 1.607) 8.209 3.320 ( 1.514 -1.455 -4.890) 5.322 3.707 ( -6.609 -3.500 0.368) 7.488 4.138 ( -1.230 -9.899 -5.870) 11.574 4.831 ( -5.269 4.964 6.400) 9.663 5.026 ( 1.862 1.557 -0.509) 2.480 5.513 ( -1.173 -9.884 -7.073) 12.211 6.067 ( 4.830 1.670 3.454) 6.168 7.449 ( 0.837 -4.182 -1.178) 4.425 8.133 ( -0.977 0.187 -1.383) 1.704 8.412 ( -1.967 -1.374 -3.120) 3.936 8.855 ( 2.955 -1.110 1.494) 3.493 9.117 ( 5.179 10.621 5.585) 13.070 9.647 ( -1.542 2.358 2.253) 3.608 14.175 ( -15.219 -4.742 11.478) 19.643 14.753 ( 11.987 8.395 -10.838) 18.211 15.808 ( 2.625 22.380 11.474) 25.287 16.752 ( 7.762 -5.901 18.736) 21.121 18.721 ( -1.192 -3.948 -4.312) 5.967 19.620 ( -4.638 -17.144 -25.717) 31.254 ======================= Grid point 314 (169/226) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -5.025 -0.962 7.256) 8.879 1.742 ( 7.497 -5.312 -4.759) 10.347 1.835 ( -11.187 -3.051 4.256) 12.352 2.812 ( 0.781 -1.559 3.048) 3.512 3.071 ( 1.418 1.819 -0.927) 2.486 3.333 ( 2.430 0.023 -2.890) 3.776 3.560 ( -2.883 -7.510 0.679) 8.073 3.997 ( -1.599 -7.220 -2.559) 7.825 4.751 ( -12.124 0.543 6.017) 13.545 5.083 ( 3.181 1.886 -0.984) 3.827 5.368 ( -0.977 -9.682 0.532) 9.746 6.186 ( 4.753 1.805 0.893) 5.162 7.408 ( 0.076 -4.880 -0.050) 4.881 8.111 ( -0.435 -1.139 -2.004) 2.346 8.310 ( -4.272 -2.543 -0.203) 4.976 8.964 ( 8.684 1.528 -2.747) 9.235 9.347 ( 3.574 13.800 5.352) 15.227 9.633 ( -4.273 4.125 -1.644) 6.163 13.978 ( -9.832 -5.891 10.890) 15.810 15.011 ( 15.151 12.803 -12.871) 23.646 16.211 ( 5.130 28.876 12.978) 32.071 16.810 ( -8.596 2.452 4.658) 10.080 18.617 ( -0.661 -9.605 -2.248) 9.887 19.216 ( 0.329 -30.367 -13.603) 33.276 ======================= Grid point 315 (170/226) ======================= q-point: ( 0.45 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.151 -5.424 13.456) 14.509 1.623 ( -10.630 -7.291 6.733) 14.542 1.782 ( 6.507 -6.660 -6.197) 11.185 2.805 ( -1.331 -1.208 1.107) 2.111 3.026 ( -1.221 -10.333 -0.088) 10.405 3.317 ( 1.908 -0.101 -7.711) 7.944 3.583 ( 5.238 0.704 6.315) 8.235 3.901 ( -4.244 -3.204 1.604) 5.554 4.555 ( -11.589 -5.325 7.129) 14.611 5.145 ( 3.303 -0.295 0.751) 3.400 5.305 ( 0.764 -4.990 0.757) 5.105 6.260 ( 2.104 1.379 -0.763) 2.629 7.362 ( -0.410 -4.537 1.273) 4.730 8.051 ( -1.838 -4.054 -1.311) 4.640 8.268 ( -0.529 1.752 -0.310) 1.856 9.104 ( 7.900 1.037 -2.433) 8.330 9.538 ( -5.188 9.917 3.284) 11.664 9.588 ( 1.584 8.940 -5.799) 10.773 13.880 ( -3.216 -5.870 10.580) 12.519 15.319 ( 14.465 16.834 -16.705) 27.779 16.585 ( -17.688 12.879 -8.991) 23.655 16.672 ( 1.890 24.954 16.079) 29.746 18.498 ( 4.070 -21.736 3.192) 22.343 18.885 ( 1.312 -29.602 -4.424) 29.959 ======================= Grid point 316 (171/226) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -4.956 -7.759 8.747) 12.700 1.497 ( 2.250 -7.325 14.779) 16.647 1.751 ( 2.776 -7.581 -4.882) 9.434 2.773 ( -1.918 -0.453 0.186) 1.979 2.900 ( -1.255 -9.997 2.515) 10.385 3.320 ( 4.411 -1.713 -6.933) 8.394 3.732 ( 1.763 5.633 5.099) 7.800 3.808 ( -4.685 -1.902 4.461) 6.743 4.408 ( -2.675 -8.853 8.651) 12.664 5.197 ( 3.709 -4.437 3.887) 6.968 5.286 ( 0.261 0.239 -2.911) 2.933 6.276 ( -0.339 0.918 -2.012) 2.237 7.328 ( -0.150 -3.434 1.914) 3.935 7.993 ( -0.125 -2.877 0.558) 2.934 8.281 ( -0.644 2.265 -0.761) 2.474 9.200 ( 4.058 -0.875 -1.816) 4.531 9.457 ( -7.398 7.852 -5.704) 12.204 9.741 ( 3.442 9.136 -1.649) 9.901 13.885 ( 2.441 -6.432 10.707) 12.727 15.493 ( -4.897 19.792 -23.229) 30.908 16.400 ( -0.477 9.646 -10.060) 13.946 17.065 ( -0.515 25.578 16.722) 30.563 18.323 ( 5.483 -41.938 8.050) 43.055 18.657 ( -2.032 -9.064 -1.950) 9.492 ======================= Grid point 317 (172/226) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -1.402 -6.068 5.419) 8.256 1.598 ( 4.126 -3.815 4.303) 7.078 1.714 ( 0.448 -4.361 7.798) 8.945 2.719 ( -3.947 -0.900 1.050) 4.182 2.865 ( 2.494 -3.998 4.893) 6.793 3.329 ( 4.727 -3.168 -7.262) 9.226 3.707 ( -7.934 4.912 4.884) 10.533 3.857 ( 2.030 1.019 1.218) 2.577 4.426 ( 6.899 -8.259 11.652) 15.861 5.211 ( 1.721 -8.397 3.584) 9.291 5.292 ( 0.839 4.422 -3.851) 5.923 6.245 ( -2.234 0.410 -2.607) 3.457 7.317 ( 0.610 -1.942 1.710) 2.658 8.006 ( 2.396 -0.720 2.822) 3.772 8.270 ( -2.065 1.042 -0.506) 2.367 9.149 ( -7.153 0.455 -5.014) 8.747 9.441 ( 1.954 4.789 -4.189) 6.656 9.831 ( 0.943 3.985 -2.434) 4.764 13.967 ( 6.953 -7.450 11.194) 15.138 15.254 ( -22.203 17.556 -23.028) 36.489 16.626 ( 18.018 7.369 -8.256) 21.145 17.296 ( -3.889 10.751 0.243) 11.436 18.054 ( 0.819 -29.700 19.665) 35.630 18.605 ( -0.044 0.192 0.721) 0.747 ======================= Grid point 318 (173/226) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 8.698 -1.640 -1.241) 8.938 1.603 ( -2.929 4.070 -1.261) 5.170 1.758 ( 0.378 -4.349 11.418) 12.224 2.672 ( -2.882 2.137 1.851) 4.037 2.941 ( 3.883 -0.209 5.973) 7.127 3.331 ( 4.277 -2.384 -6.203) 7.902 3.679 ( -4.716 5.277 3.564) 7.923 3.875 ( 0.644 -0.240 -0.836) 1.082 4.592 ( 9.836 -4.685 11.940) 16.164 5.148 ( -1.347 -6.485 -0.841) 6.676 5.334 ( 0.969 3.937 -1.317) 4.263 6.183 ( -2.929 -0.407 -2.362) 3.785 7.332 ( 1.365 -0.437 1.174) 1.853 8.081 ( 2.469 1.935 3.742) 4.883 8.240 ( -0.531 -1.203 0.854) 1.567 8.954 ( -11.442 0.947 -6.885) 13.387 9.515 ( 5.459 0.868 -3.073) 6.324 9.815 ( -2.693 -1.417 -1.824) 3.548 14.112 ( 10.441 -8.230 11.847) 17.808 14.906 ( -20.864 15.016 -18.955) 31.939 16.832 ( 2.481 -9.491 3.082) 10.282 17.066 ( -2.435 -15.985 -22.491) 27.701 18.231 ( 8.731 13.490 25.254) 29.933 18.648 ( 1.379 5.203 1.615) 5.620 ======================= Grid point 319 (174/226) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 4.329 3.245 -2.279) 5.870 1.618 ( 5.336 5.759 -5.716) 9.712 1.774 ( -1.397 -2.697 8.016) 8.572 2.677 ( -1.070 1.781 1.979) 2.869 3.036 ( 3.092 3.236 -1.265) 4.651 3.347 ( -0.667 0.772 2.844) 3.021 3.691 ( -1.077 4.825 0.468) 4.966 3.907 ( 4.440 1.205 -0.223) 4.606 4.765 ( 6.702 -3.838 8.028) 11.139 5.033 ( -4.065 -5.312 -3.278) 7.449 5.395 ( 0.568 8.434 -0.468) 8.466 6.117 ( -2.213 -1.933 -1.161) 3.159 7.366 ( 1.693 0.626 0.699) 1.936 8.124 ( -1.880 3.494 -0.186) 3.972 8.290 ( 5.828 -1.636 4.807) 7.730 8.720 ( -10.575 -1.488 -5.877) 12.190 9.579 ( 5.154 -3.314 -4.063) 7.352 9.702 ( -6.216 -4.286 1.390) 7.677 14.296 ( 10.452 -6.620 10.836) 16.446 14.633 ( -13.414 10.576 -12.679) 21.273 16.453 ( -8.695 -26.998 -14.598) 31.900 16.888 ( -7.155 -10.796 6.136) 14.331 18.625 ( 5.907 5.556 5.127) 9.595 18.901 ( 12.877 28.732 5.270) 31.923 ======================= Grid point 324 (175/226) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 3.628 -4.625 -2.832) 6.525 1.662 ( -7.001 -1.068 -4.404) 8.339 2.066 ( 0.004 -1.316 -2.200) 2.563 2.723 ( 2.772 -0.930 2.006) 3.546 3.059 ( 3.257 8.133 3.221) 9.335 3.232 ( -1.337 -3.643 -10.311) 11.017 3.825 ( -9.213 -0.390 -1.428) 9.331 4.011 ( -0.736 -8.815 -7.108) 11.348 4.923 ( 4.220 1.761 -3.107) 5.528 5.033 ( -0.591 2.326 4.471) 5.074 5.355 ( 3.161 -3.011 -8.529) 9.581 6.077 ( -0.720 -0.548 5.239) 5.317 7.406 ( -0.433 -1.804 -1.902) 2.658 8.152 ( -1.569 1.786 -2.995) 3.824 8.359 ( 2.942 -0.106 -5.549) 6.281 8.864 ( -3.640 -7.559 8.053) 11.629 9.163 ( 5.630 9.963 8.354) 14.168 9.697 ( 0.510 1.712 4.502) 4.843 14.484 ( -4.404 -2.751 -1.869) 5.519 14.525 ( -1.430 2.097 0.607) 2.610 16.085 ( 2.238 21.715 16.972) 27.651 16.568 ( 18.575 -12.921 25.242) 33.899 18.708 ( -2.803 -0.786 -3.912) 4.877 19.439 ( -12.071 -8.338 -36.356) 39.204 ======================= Grid point 325 (176/226) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -2.173 -1.796 1.864) 3.380 1.537 ( 2.445 -5.356 -7.121) 9.240 1.975 ( -6.803 -2.525 -2.450) 7.659 2.755 ( 2.458 -3.221 -0.775) 4.125 3.073 ( -2.353 -0.474 -5.018) 5.562 3.263 ( 5.826 2.722 1.514) 6.606 3.620 ( -9.986 -3.665 -1.328) 10.720 3.916 ( 1.047 -4.689 -2.300) 5.327 4.998 ( 2.101 1.807 0.075) 2.772 5.027 ( -5.505 4.263 -0.474) 6.979 5.275 ( -0.366 -9.585 0.184) 9.594 6.137 ( 3.554 0.732 2.748) 4.552 7.375 ( -0.126 -1.855 -0.856) 2.047 8.111 ( -2.068 -0.431 -2.152) 3.015 8.339 ( -1.492 -1.387 -2.078) 2.910 8.835 ( 4.019 -2.626 1.005) 4.905 9.417 ( 6.018 10.337 5.088) 12.998 9.725 ( -2.242 1.975 2.784) 4.084 14.211 ( -16.247 -6.201 11.150) 20.658 14.734 ( 17.165 8.080 -15.903) 24.755 16.511 ( 5.561 26.337 18.496) 32.659 16.851 ( 9.293 -7.606 17.588) 21.297 18.588 ( -8.044 -4.910 -5.170) 10.749 18.913 ( -7.111 -17.058 -26.196) 32.059 ======================= Grid point 326 (177/226) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -3.001 -4.957 6.896) 9.007 1.545 ( 5.579 -4.388 -4.253) 8.275 1.792 ( -8.688 -3.837 -0.192) 9.499 2.741 ( 3.023 -4.868 -3.568) 6.750 3.003 ( -2.869 -5.460 3.255) 6.974 3.292 ( -3.579 1.483 -5.582) 6.794 3.560 ( 3.590 2.261 4.917) 6.495 3.893 ( 0.497 -2.351 -0.096) 2.405 4.844 ( -17.591 -1.742 9.837) 20.230 5.074 ( 4.605 0.451 -3.931) 6.071 5.223 ( 2.801 -6.124 0.296) 6.741 6.210 ( 3.424 0.115 -0.891) 3.539 7.355 ( -0.651 -1.448 1.397) 2.115 8.046 ( -2.437 -2.630 -1.182) 3.776 8.299 ( -1.414 0.703 0.673) 1.716 8.932 ( 9.211 -0.189 -4.658) 10.323 9.604 ( 3.390 7.922 -1.366) 8.724 9.703 ( -4.052 3.096 2.072) 5.504 14.000 ( -9.936 -5.684 10.126) 15.283 15.031 ( 20.087 11.406 -18.794) 29.780 16.872 ( -5.231 -0.967 8.403) 9.946 17.001 ( 1.874 27.901 8.918) 29.352 18.218 ( -6.255 -27.628 -3.500) 28.542 18.683 ( 0.217 -6.575 -4.821) 8.156 ======================= Grid point 327 (178/226) ======================= q-point: ( 0.55 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 1.318 -7.463 12.244) 14.399 1.516 ( -3.757 -4.346 2.687) 6.342 1.684 ( -0.576 -1.812 3.565) 4.040 2.737 ( 3.236 -2.785 -2.360) 4.879 2.907 ( -5.001 -5.208 6.419) 9.661 3.228 ( 0.227 0.206 -6.769) 6.776 3.711 ( 6.072 1.523 5.701) 8.467 3.880 ( -1.076 0.216 1.113) 1.563 4.587 ( -16.595 -5.004 13.882) 22.207 5.115 ( 3.324 -4.244 1.495) 5.594 5.230 ( 3.379 -0.152 -5.373) 6.349 6.239 ( 2.148 -0.812 -3.227) 3.960 7.341 ( -1.404 -0.858 3.188) 3.588 7.986 ( -1.298 -1.804 0.752) 2.346 8.307 ( -0.219 2.070 0.265) 2.099 9.046 ( 8.847 -1.323 -6.277) 10.928 9.597 ( -5.897 4.723 -5.409) 9.292 9.753 ( 2.527 4.482 -1.145) 5.271 13.897 ( -3.471 -5.966 9.864) 12.039 15.363 ( 18.593 14.890 -22.912) 33.050 16.625 ( -19.627 6.378 -10.959) 23.367 17.298 ( 4.020 7.257 -4.530) 9.452 17.993 ( 1.456 -21.999 28.810) 36.278 18.630 ( -0.680 -1.618 0.945) 1.993 ======================= Grid point 328 (179/226) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -6.434 -7.907 6.048) 11.853 1.551 ( 5.810 -5.490 15.580) 17.511 1.726 ( -0.065 2.406 5.342) 5.859 2.740 ( 0.436 -1.445 -2.367) 2.807 2.874 ( -0.802 0.039 9.956) 9.989 3.198 ( 2.024 -1.939 -7.157) 7.686 3.815 ( 1.943 -2.616 4.729) 5.743 3.888 ( -1.491 4.002 1.407) 4.496 4.430 ( -6.696 -4.034 16.842) 18.568 5.119 ( 2.311 -7.595 2.587) 8.350 5.261 ( 3.349 2.802 -6.631) 7.939 6.229 ( 0.694 -1.306 -4.096) 4.355 7.335 ( -1.385 0.103 3.688) 3.941 7.989 ( 1.271 0.173 2.869) 3.142 8.314 ( -1.631 1.702 -0.206) 2.366 9.105 ( 5.385 -3.781 -6.565) 9.295 9.498 ( -6.416 5.810 -7.272) 11.305 9.806 ( 2.546 1.018 -4.338) 5.132 13.888 ( 2.054 -7.010 10.383) 12.695 15.523 ( -3.320 16.300 -27.102) 31.800 16.417 ( 2.175 6.509 -11.690) 13.555 17.152 ( 0.159 -22.819 -19.496) 30.014 18.187 ( -0.854 3.992 44.973) 45.158 18.642 ( -0.584 3.082 4.479) 5.468 ======================= Grid point 329 (180/226) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -0.371 -6.885 3.425) 7.699 1.695 ( 3.541 -1.201 10.721) 11.354 1.755 ( -1.796 -0.859 5.123) 5.497 2.714 ( 0.006 -1.222 -1.163) 1.686 2.976 ( 0.161 3.869 10.471) 11.164 3.186 ( 4.990 -0.324 -5.744) 7.616 3.815 ( -3.382 -0.630 4.602) 5.745 3.888 ( -1.166 0.710 1.194) 1.813 4.512 ( 4.350 -0.069 16.018) 16.598 5.078 ( 0.819 -7.401 -0.735) 7.482 5.315 ( 3.795 2.370 -2.339) 5.049 6.186 ( -0.964 -1.391 -4.295) 4.616 7.346 ( -0.730 1.328 3.436) 3.755 8.066 ( 3.799 1.594 4.709) 6.257 8.279 ( -3.500 0.456 -0.250) 3.539 9.045 ( -3.190 -3.614 -7.846) 9.209 9.430 ( -0.534 3.087 -8.117) 8.700 9.801 ( 0.511 -1.673 -3.898) 4.272 13.959 ( 6.725 -8.217 11.404) 15.582 15.271 ( -19.286 13.285 -23.297) 33.033 16.618 ( 16.111 2.647 -8.715) 18.507 16.714 ( -4.011 -25.542 -25.056) 36.004 18.499 ( -0.311 6.721 32.622) 33.309 18.752 ( -0.040 12.123 13.940) 18.474 ======================= Grid point 330 (181/226) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 10.887 -2.431 -4.326) 11.965 1.697 ( -5.355 2.009 -0.699) 5.762 1.786 ( 1.983 -4.454 8.568) 9.858 2.705 ( 0.235 -1.214 0.708) 1.425 3.004 ( 0.744 -1.599 -3.565) 3.977 3.338 ( 6.195 6.960 5.309) 10.724 3.754 ( -3.246 -3.323 2.424) 5.240 3.926 ( 0.556 4.756 5.366) 7.192 4.688 ( 4.762 0.243 9.254) 10.411 4.998 ( -0.916 -6.161 -3.184) 6.996 5.423 ( 5.038 4.888 3.379) 7.791 6.118 ( -2.040 -1.657 -4.354) 5.086 7.377 ( -0.169 2.224 2.884) 3.646 8.193 ( 2.771 3.860 4.471) 6.524 8.217 ( -0.955 -2.461 1.035) 2.835 8.846 ( -9.939 -1.686 -9.465) 13.828 9.420 ( 4.175 -2.525 -7.510) 8.956 9.747 ( -2.528 -2.518 -0.587) 3.616 14.096 ( 10.535 -9.201 12.082) 18.483 14.935 ( -17.813 10.831 -18.126) 27.625 16.191 ( -7.071 -24.288 -22.931) 34.143 16.823 ( 8.263 -3.864 -1.807) 9.300 18.675 ( 0.629 3.988 9.839) 10.635 19.093 ( 4.585 23.544 20.911) 31.821 ======================= Grid point 335 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 6.027 -7.559 -5.340) 11.045 1.757 ( -6.625 -2.789 -0.898) 7.244 1.935 ( 8.188 -2.225 -8.378) 11.924 2.695 ( 2.339 0.779 0.989) 2.656 3.002 ( 7.655 -2.075 5.454) 9.625 3.264 ( -7.255 6.352 -10.694) 14.399 3.902 ( -0.759 -5.932 -4.278) 7.352 3.955 ( -4.704 1.495 -6.460) 8.130 4.798 ( 1.861 -0.835 -11.292) 11.475 5.011 ( 5.953 -3.004 5.768) 8.817 5.324 ( 0.340 7.995 -4.561) 9.211 6.111 ( -1.035 -2.342 3.437) 4.286 7.406 ( -2.282 -0.128 -2.512) 3.396 8.166 ( 0.751 4.523 -5.476) 7.142 8.293 ( -0.814 -2.801 -1.982) 3.526 8.869 ( 3.069 -5.283 9.999) 11.718 9.256 ( -2.441 2.502 9.664) 10.277 9.719 ( 2.223 1.735 4.545) 5.349 14.214 ( 12.402 1.738 -14.952) 19.504 14.873 ( -17.195 -6.670 17.853) 25.668 16.210 ( 14.780 -14.880 26.421) 33.733 16.392 ( 7.574 18.637 14.539) 24.821 18.736 ( -3.191 1.202 -4.616) 5.739 19.389 ( -15.226 -0.620 -38.413) 41.325 ======================= Grid point 336 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 6.578 -1.324 -2.949) 7.330 1.599 ( -8.041 -1.862 -0.698) 8.283 1.946 ( 2.406 -3.837 -7.545) 8.800 2.714 ( -0.761 -0.842 -1.528) 1.904 3.043 ( -0.065 -3.253 -4.004) 5.159 3.256 ( 2.335 8.938 0.496) 9.251 3.756 ( -9.968 -3.138 -4.782) 11.492 3.866 ( -0.105 -0.526 -0.012) 0.537 4.836 ( 8.641 2.375 -11.842) 14.851 5.090 ( 3.666 -4.196 4.782) 7.342 5.315 ( -6.536 2.852 -0.032) 7.131 6.119 ( 1.062 -1.313 4.091) 4.426 7.364 ( -0.734 0.091 -1.896) 2.035 8.142 ( -3.248 0.601 -2.601) 4.204 8.294 ( 3.509 0.938 -4.382) 5.692 8.810 ( -3.599 -8.502 7.511) 11.902 9.425 ( 6.530 6.742 6.001) 11.141 9.768 ( 0.171 -0.728 3.042) 3.133 14.368 ( 10.675 3.195 -13.307) 17.357 14.589 ( -15.516 -5.557 12.424) 20.640 16.544 ( 19.661 -16.552 27.558) 37.683 16.786 ( 7.841 18.783 9.142) 22.313 18.675 ( -2.383 1.141 -3.118) 4.087 18.836 ( -20.867 -1.511 -32.706) 38.825 ======================= Grid point 337 (184/226) ======================= q-point: ( 0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 1.039 -1.404 1.638) 2.394 1.480 ( -1.988 4.100 3.057) 5.487 1.847 ( -3.803 -3.706 -6.510) 8.401 2.657 ( -0.877 -1.193 -3.664) 3.952 3.011 ( -0.257 -1.641 1.760) 2.420 3.343 ( -1.963 1.604 -2.845) 3.811 3.592 ( -3.383 1.318 1.703) 4.010 3.880 ( 0.535 1.330 1.417) 2.016 4.934 ( 8.052 2.171 -10.070) 13.075 5.118 ( 2.727 -6.181 3.297) 7.518 5.169 ( -14.059 -0.107 6.549) 15.509 6.154 ( 2.233 -1.148 0.280) 2.526 7.361 ( 0.269 0.743 0.296) 0.844 8.069 ( -3.333 -1.194 -0.833) 3.637 8.324 ( 0.289 1.625 -1.208) 2.045 8.771 ( 4.198 -4.506 -0.569) 6.185 9.603 ( 4.299 5.587 0.725) 7.087 9.756 ( -0.892 -2.958 1.312) 3.357 14.224 ( -15.042 -5.584 8.927) 18.361 14.688 ( 17.609 7.477 -13.983) 23.696 16.828 ( 13.397 -16.339 20.922) 29.736 17.066 ( 6.922 3.113 -4.091) 8.622 18.342 ( -21.755 10.135 -10.189) 26.073 18.643 ( -0.946 0.993 -1.222) 1.837 ======================= Grid point 338 (185/226) ======================= q-point: (-0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -0.483 -9.783 7.706) 12.462 1.590 ( -3.269 2.888 4.318) 6.138 1.739 ( -1.629 4.913 0.222) 5.181 2.651 ( 2.537 0.163 -1.502) 2.953 2.995 ( -3.354 -2.595 7.863) 8.934 3.225 ( -4.716 0.083 -7.755) 9.077 3.649 ( 4.136 -1.126 3.878) 5.780 3.929 ( -0.550 5.231 3.445) 6.288 4.938 ( -15.209 -5.873 14.807) 22.024 5.016 ( 3.297 2.992 -7.470) 8.696 5.120 ( 3.076 -3.780 -1.961) 5.253 6.169 ( 2.181 -1.874 -2.355) 3.717 7.379 ( -0.460 1.044 2.374) 2.634 8.012 ( -2.344 -0.129 0.948) 2.532 8.334 ( -0.370 1.371 1.157) 1.831 8.829 ( 8.698 -2.554 -7.675) 11.879 9.671 ( -1.431 3.296 -2.531) 4.395 9.717 ( 1.440 -2.931 -2.299) 3.994 14.015 ( -9.989 -5.525 9.298) 14.724 15.001 ( 21.107 10.211 -18.355) 29.777 16.856 ( -11.110 -6.108 -7.325) 14.642 16.977 ( 10.475 -23.693 -8.565) 27.284 18.304 ( -9.855 23.241 23.950) 34.798 18.651 ( -0.042 2.157 2.228) 3.102 ======================= Grid point 339 (186/226) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 1.652 -10.108 8.682) 13.427 1.494 ( -2.291 -10.972 10.134) 15.111 1.846 ( -1.518 10.022 3.625) 10.765 2.688 ( 1.675 -1.204 -1.206) 2.390 2.992 ( -2.375 3.222 12.565) 13.187 3.129 ( -0.944 -0.075 -9.224) 9.272 3.725 ( 5.727 -4.946 3.855) 8.492 3.982 ( -3.274 5.107 4.559) 7.589 4.743 ( -15.419 0.392 18.814) 24.328 5.021 ( 1.736 -5.432 -1.225) 5.832 5.151 ( 6.039 0.787 -8.156) 10.179 6.164 ( 1.760 -2.554 -2.665) 4.089 7.394 ( -1.378 1.585 3.356) 3.959 8.008 ( -0.427 1.781 2.685) 3.250 8.351 ( -0.522 1.476 1.133) 1.933 8.882 ( 8.275 -4.540 -10.842) 14.375 9.611 ( -5.039 1.499 -2.812) 5.962 9.714 ( 3.162 -1.029 -7.120) 7.858 13.903 ( -3.963 -6.152 9.709) 12.158 15.315 ( 18.217 9.459 -22.969) 30.804 16.453 ( -8.245 -10.917 -18.890) 23.324 16.835 ( -2.223 -14.215 -9.029) 16.986 18.566 ( -4.316 12.464 25.056) 28.316 18.754 ( 0.797 10.207 17.481) 20.258 ======================= Grid point 340 (187/226) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -7.102 -9.367 5.258) 12.877 1.554 ( 10.676 -14.322 16.215) 24.125 1.875 ( -4.325 3.761 0.152) 5.733 2.664 ( 0.741 -3.333 -2.092) 4.004 3.033 ( -1.767 -2.549 -6.510) 7.211 3.169 ( 3.246 10.459 10.783) 15.369 3.803 ( 6.120 -4.784 4.393) 8.924 3.944 ( -6.845 -1.562 5.049) 8.648 4.714 ( -8.181 8.993 18.640) 22.255 4.973 ( 1.588 -7.115 -2.658) 7.760 5.221 ( 6.567 0.937 -4.461) 7.994 6.144 ( 0.736 -2.796 -2.166) 3.613 7.412 ( -1.471 2.718 3.631) 4.768 8.064 ( 1.855 2.748 3.903) 5.121 8.345 ( -2.809 1.354 0.887) 3.242 8.874 ( 6.533 -7.683 -11.640) 15.401 9.506 ( -7.023 3.372 -5.620) 9.606 9.715 ( 3.647 -1.332 -6.538) 7.604 13.885 ( 1.472 -7.273 10.966) 13.240 15.365 ( -0.679 -0.707 -25.394) 25.413 16.307 ( 12.324 -3.399 -15.281) 19.924 16.517 ( -11.292 -7.007 -17.357) 21.860 18.691 ( -1.384 4.749 10.511) 11.617 19.076 ( -0.890 14.759 36.754) 39.617 ======================= Grid point 341 (188/226) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -0.140 -10.000 1.914) 10.182 1.679 ( 6.475 -10.698 9.576) 15.751 1.802 ( -3.716 -0.996 -1.052) 3.988 2.650 ( 2.879 -3.539 -0.626) 4.605 2.924 ( -0.530 -4.486 -8.886) 9.969 3.397 ( 2.916 10.235 8.381) 13.546 3.810 ( -6.879 -4.714 4.832) 9.638 3.915 ( 7.231 -3.852 6.876) 10.696 4.801 ( -5.151 8.910 9.095) 13.734 4.909 ( 1.046 -6.178 -3.771) 7.313 5.367 ( 9.073 3.562 4.980) 10.946 6.102 ( -1.204 -2.511 -2.348) 3.642 7.443 ( -1.334 3.654 3.471) 5.213 8.155 ( 3.075 0.766 3.206) 4.508 8.304 ( -4.197 2.370 2.064) 5.244 8.808 ( 2.419 -7.075 -10.590) 12.964 9.380 ( -5.754 2.528 -7.782) 10.003 9.723 ( 2.038 -0.865 -3.431) 4.083 13.947 ( 5.973 -8.418 12.148) 15.941 15.077 ( -8.034 -6.371 -20.938) 23.314 16.048 ( -14.054 -7.003 -22.335) 27.302 16.552 ( 16.690 2.322 -10.999) 20.123 18.775 ( -0.745 4.585 7.173) 8.546 19.435 ( -0.788 15.517 33.554) 36.977 ======================= Grid point 401 (189/226) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.000 -0.000 18.856) 18.856 1.329 ( 0.000 -0.000 18.856) 18.856 1.691 ( 0.000 -0.000 22.858) 22.858 2.639 ( 0.000 -0.000 4.554) 4.554 2.639 ( 0.000 -0.000 4.554) 4.554 3.682 ( -0.000 0.000 -8.895) 8.895 3.839 ( 0.000 -0.000 9.075) 9.075 3.839 ( 0.000 -0.000 9.075) 9.075 4.927 ( 0.000 0.000 -0.696) 0.696 4.927 ( -0.000 -0.000 -0.696) 0.696 5.345 ( 0.000 -0.000 14.294) 14.294 6.633 ( -0.000 0.000 -9.624) 9.624 7.889 ( 0.000 -0.000 3.287) 3.287 8.221 ( 0.000 0.000 0.052) 0.052 8.221 ( -0.000 0.000 0.052) 0.052 9.053 ( -0.000 0.000 -10.741) 10.741 9.053 ( -0.000 0.000 -10.741) 10.741 9.146 ( 0.000 -0.000 0.397) 0.397 14.131 ( 0.000 -0.000 13.283) 13.283 14.131 ( 0.000 -0.000 13.283) 13.283 15.845 ( -0.000 0.000 -11.267) 11.267 15.845 ( -0.000 0.000 -11.267) 11.267 18.960 ( -0.000 0.000 -2.588) 2.588 20.907 ( 0.000 -0.000 0.936) 0.936 ======================= Grid point 402 (190/226) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -7.299 -1.951 18.840) 20.298 1.551 ( 6.665 -2.143 15.107) 16.651 1.862 ( 0.919 3.538 16.857) 17.248 2.679 ( 3.790 -1.890 3.342) 5.395 2.736 ( 2.687 5.851 4.718) 7.982 3.568 ( -4.763 -2.912 -6.311) 8.426 3.791 ( -3.909 -3.421 5.451) 7.529 4.021 ( 5.551 4.303 11.081) 13.119 4.835 ( -3.116 -2.647 -3.300) 5.254 4.981 ( 1.191 1.712 0.188) 2.094 5.478 ( 3.515 2.354 11.941) 12.668 6.480 ( -7.284 -4.287 -8.935) 12.299 7.804 ( -7.392 -3.921 1.873) 8.574 8.195 ( -2.007 0.807 0.035) 2.163 8.284 ( 3.025 2.110 1.334) 3.923 8.873 ( 2.145 -10.237 -9.995) 14.467 9.047 ( -3.790 5.523 -2.539) 7.163 9.293 ( 9.905 6.219 -5.366) 12.868 14.059 ( -4.931 -1.210 13.185) 14.129 14.435 ( 9.881 4.615 12.981) 16.954 15.564 ( -5.746 -7.816 -11.278) 14.876 16.147 ( 19.669 13.923 -10.604) 26.328 18.921 ( -1.967 -0.925 -2.847) 3.582 20.719 ( -16.068 -8.257 0.450) 18.071 ======================= Grid point 403 (191/226) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -1.399 -0.942 13.805) 13.908 1.696 ( 4.363 -4.387 9.902) 11.676 1.976 ( -1.682 5.219 8.457) 10.079 2.762 ( 4.884 -0.746 1.702) 5.226 2.861 ( 1.139 3.583 7.191) 8.115 3.418 ( -4.527 -3.616 -4.813) 7.532 3.733 ( -1.975 -1.229 1.777) 2.927 4.208 ( 4.148 2.333 7.008) 8.471 4.747 ( -1.569 -1.414 -2.241) 3.079 5.006 ( 0.265 1.210 -0.821) 1.487 5.625 ( 2.335 3.302 6.903) 8.001 6.236 ( -8.724 -6.196 -5.935) 12.236 7.649 ( -6.966 -2.922 -0.316) 7.561 8.165 ( -2.537 1.335 -0.292) 2.881 8.359 ( 3.024 0.331 -0.844) 3.157 8.792 ( 4.575 -7.606 -3.429) 9.516 9.040 ( -2.123 3.587 0.947) 4.274 9.472 ( 7.614 5.795 -3.756) 10.279 14.117 ( 0.319 3.570 13.839) 14.295 14.654 ( 4.133 0.429 4.138) 5.864 15.415 ( 2.813 -4.615 -2.464) 5.940 16.551 ( 17.808 11.758 -5.157) 21.954 18.845 ( -3.305 -1.163 -3.450) 4.917 20.281 ( -22.068 -10.227 -5.424) 24.921 ======================= Grid point 404 (192/226) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 4.488 1.123 5.614) 7.274 1.717 ( -1.955 -3.762 2.562) 4.954 2.041 ( 0.102 4.253 2.201) 4.790 2.809 ( -0.124 -0.033 -0.899) 0.909 2.925 ( 0.269 -1.660 7.885) 8.062 3.301 ( -1.683 -3.614 -4.005) 5.651 3.746 ( 1.575 3.486 -0.370) 3.843 4.229 ( -3.022 -1.239 -4.988) 5.962 4.782 ( 5.028 -0.516 6.455) 8.198 4.996 ( -0.902 1.249 -4.611) 4.862 5.630 ( -6.390 -1.101 -4.099) 7.671 6.075 ( -1.960 -2.665 3.512) 4.825 7.521 ( -4.954 -1.374 -1.779) 5.440 8.135 ( -1.551 0.748 -1.733) 2.443 8.354 ( 1.881 -4.549 -5.154) 7.127 8.868 ( 5.586 2.886 6.770) 9.240 9.042 ( -1.404 -0.936 3.773) 4.133 9.607 ( 4.680 3.646 -0.514) 5.955 14.313 ( 5.798 6.691 14.908) 17.338 14.604 ( -3.732 -4.300 -8.988) 10.640 15.561 ( 10.865 1.375 11.242) 15.694 16.853 ( 7.185 4.123 6.605) 10.595 18.757 ( -2.932 -0.474 -3.969) 4.957 19.765 ( -18.449 -7.755 -18.756) 27.428 ======================= Grid point 405 (193/226) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 2.103 2.526 0.080) 3.288 1.635 ( -0.941 0.674 -4.242) 4.397 2.056 ( -0.722 -1.631 -4.107) 4.478 2.759 ( -3.213 -1.188 -0.551) 3.469 2.962 ( 2.328 -2.105 4.441) 5.439 3.223 ( -1.500 -2.573 -5.329) 6.105 3.829 ( 3.113 5.555 -1.267) 6.493 4.086 ( -4.920 -2.102 -9.160) 10.608 4.873 ( -0.231 -1.912 -3.205) 3.739 4.990 ( 4.085 1.760 1.867) 4.824 5.397 ( -9.877 -6.388 -6.097) 13.249 6.114 ( 1.144 1.192 5.484) 5.728 7.436 ( -2.736 0.089 -2.486) 3.698 8.099 ( 0.005 -1.722 -4.194) 4.534 8.315 ( 0.950 -1.448 -3.086) 3.538 9.012 ( 0.122 -8.475 6.411) 10.627 9.085 ( 3.478 11.303 10.685) 15.938 9.690 ( 1.946 0.612 2.640) 3.337 14.366 ( -4.151 -8.597 -12.390) 15.641 14.658 ( 8.239 11.995 16.802) 22.228 15.866 ( 11.283 3.143 15.319) 19.284 16.919 ( -9.453 -5.149 20.210) 22.898 18.699 ( -0.704 0.474 -4.314) 4.396 19.327 ( -6.330 -1.713 -35.209) 35.815 ======================= Grid point 406 (194/226) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -8.826 0.478 -4.295) 9.827 1.745 ( 6.570 6.599 -5.081) 10.608 1.899 ( -5.664 -9.171 -10.601) 15.119 2.704 ( -1.923 -1.385 1.020) 2.580 3.029 ( 3.753 -2.076 5.066) 6.638 3.126 ( -1.486 0.278 -10.176) 10.287 3.914 ( 0.498 1.345 -3.445) 3.732 3.944 ( -1.006 0.105 -6.908) 6.982 4.760 ( -4.151 4.730 -15.457) 16.689 5.095 ( -1.476 -2.521 7.463) 8.015 5.180 ( -0.045 -7.349 -2.171) 7.663 6.159 ( -0.369 0.291 3.015) 3.051 7.401 ( -0.368 1.501 -2.923) 3.306 8.062 ( 1.702 -2.133 -4.705) 5.439 8.321 ( 0.377 2.257 -0.957) 2.480 8.951 ( -2.292 -9.621 9.020) 13.386 9.326 ( 3.302 11.213 10.291) 15.573 9.718 ( -0.002 -2.872 4.730) 5.534 14.118 ( -5.739 -7.023 -13.295) 16.094 15.053 ( 10.064 9.645 21.589) 25.698 16.158 ( 8.700 1.014 14.878) 17.264 16.718 ( -21.485 -8.752 25.332) 34.350 18.683 ( 1.533 0.937 -5.901) 6.169 19.098 ( 6.746 4.903 -42.750) 43.555 ======================= Grid point 413 (195/226) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 3.012 -6.153 18.135) 19.386 1.580 ( -5.326 -2.530 14.781) 15.913 1.978 ( 2.039 2.310 13.892) 14.229 2.694 ( -2.199 1.438 3.222) 4.158 2.788 ( 2.406 10.533 1.885) 10.967 3.527 ( -0.289 -4.855 -6.899) 8.441 3.871 ( -1.946 -4.224 9.091) 10.212 4.019 ( 1.617 -1.487 10.212) 10.445 4.787 ( -0.236 -6.609 -3.900) 7.677 5.004 ( 0.473 5.255 -1.992) 5.640 5.538 ( 0.406 0.022 12.624) 12.630 6.420 ( -0.145 -7.435 -8.825) 11.541 7.798 ( 0.194 -11.109 1.941) 11.279 8.194 ( 1.651 -0.668 0.076) 1.783 8.284 ( 0.139 0.570 -0.224) 0.628 8.814 ( -6.664 0.433 -2.989) 7.317 9.149 ( 8.755 12.925 -10.365) 18.738 9.188 ( -4.545 3.650 -1.848) 6.115 14.096 ( 1.181 -10.003 13.608) 16.930 14.569 ( -0.631 15.847 12.171) 19.992 15.644 ( -6.377 6.696 -11.303) 14.604 15.951 ( 4.885 14.002 -12.066) 19.118 18.901 ( 0.166 -2.791 -2.600) 3.818 20.700 ( 0.687 -22.078 1.427) 22.135 ======================= Grid point 414 (196/226) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -6.238 -4.761 15.033) 16.958 1.637 ( 5.026 -6.121 13.563) 15.706 2.084 ( -0.305 1.693 6.704) 6.921 2.725 ( 1.578 1.636 2.782) 3.593 2.950 ( 0.989 11.153 2.666) 11.510 3.398 ( -2.952 -6.664 -5.503) 9.133 3.782 ( -5.595 -4.773 5.359) 9.100 4.137 ( 7.018 -6.116 5.841) 10.990 4.706 ( 0.683 -5.117 -1.537) 5.386 5.036 ( -0.879 5.234 -3.274) 6.235 5.632 ( 2.996 -2.915 9.441) 10.325 6.256 ( -5.126 -5.635 -5.667) 9.494 7.672 ( -2.934 -9.248 0.088) 9.703 8.211 ( -0.725 0.330 0.337) 0.865 8.266 ( 2.228 -5.553 -3.422) 6.893 8.773 ( -2.904 8.685 2.145) 9.405 9.134 ( -3.922 4.369 -0.831) 5.930 9.373 ( 9.283 9.817 -7.028) 15.230 14.142 ( 4.087 -6.805 14.074) 16.158 14.748 ( -3.565 11.375 2.857) 12.258 15.490 ( -8.645 11.891 -1.068) 14.740 16.294 ( 20.646 15.172 -11.239) 27.978 18.841 ( -1.424 -3.544 -2.855) 4.769 20.364 ( -11.465 -27.299 -1.015) 29.626 ======================= Grid point 415 (197/226) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -1.467 -4.559 10.147) 11.220 1.721 ( 1.207 -4.075 8.151) 9.192 2.085 ( -1.912 -0.293 -1.337) 2.352 2.789 ( 1.939 0.316 1.502) 2.473 3.031 ( -4.227 5.707 5.356) 8.896 3.254 ( -1.959 -7.221 -3.657) 8.328 3.727 ( 1.216 -0.926 -0.458) 1.596 4.148 ( 2.303 -9.586 -3.347) 10.411 4.724 ( 4.494 -3.172 5.956) 8.108 5.033 ( -2.503 5.662 -5.221) 8.099 5.643 ( -1.572 -7.237 0.650) 7.434 6.126 ( -3.615 -0.325 1.728) 4.020 7.545 ( -2.912 -5.485 -1.618) 6.417 8.159 ( -2.232 -2.675 -3.061) 4.638 8.248 ( 2.119 -2.534 -0.814) 3.402 8.873 ( 1.590 6.842 3.722) 7.949 9.133 ( -2.214 4.832 4.619) 7.042 9.554 ( 6.414 7.620 -4.268) 10.836 14.281 ( 7.767 -4.885 13.762) 16.540 14.666 ( -8.938 3.795 -9.122) 13.323 15.652 ( 1.421 20.619 13.742) 24.819 16.701 ( 18.200 10.446 -5.451) 21.681 18.758 ( -2.019 -3.151 -3.270) 4.970 19.815 ( -17.371 -27.219 -9.242) 33.586 ======================= Grid point 416 (198/226) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 5.527 -0.316 2.473) 6.063 1.685 ( -5.190 -1.937 1.403) 5.714 2.005 ( -1.447 -5.396 -7.597) 9.430 2.778 ( -1.731 -2.830 -1.043) 3.477 3.024 ( -4.777 3.124 6.342) 8.532 3.165 ( 0.554 -4.854 -3.048) 5.758 3.782 ( 5.448 1.794 -3.822) 6.892 4.024 ( -1.568 -8.588 -6.300) 10.766 4.829 ( 4.825 -2.769 6.594) 8.627 5.005 ( -2.702 6.437 -5.688) 9.005 5.458 ( -8.666 -7.263 -4.566) 12.195 6.138 ( 0.512 0.525 4.946) 5.000 7.453 ( -2.012 -2.180 -2.555) 3.915 8.075 ( -2.074 -2.337 -3.033) 4.354 8.270 ( 2.085 0.235 -0.134) 2.103 8.937 ( 1.674 -4.691 3.576) 6.131 9.246 ( 0.888 11.090 9.658) 14.732 9.676 ( 3.181 4.142 -0.965) 5.311 14.326 ( -5.114 -3.250 -7.362) 9.535 14.641 ( 9.216 -0.531 11.000) 14.360 16.011 ( 1.529 24.415 17.601) 30.137 16.997 ( 8.381 1.959 6.184) 10.598 18.682 ( -1.205 -1.962 -3.901) 4.529 19.195 ( -13.769 -21.424 -23.700) 34.789 ======================= Grid point 417 (199/226) ======================= q-point: (-0.27 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -6.617 0.043 -2.091) 6.940 1.618 ( 8.003 3.540 -7.421) 11.474 1.821 ( -4.074 -9.581 -9.870) 14.346 2.712 ( -0.692 -3.603 -0.251) 3.677 3.025 ( -2.777 5.312 -1.360) 6.146 3.114 ( -0.649 -3.652 1.061) 3.858 3.843 ( 2.916 -5.697 -8.116) 10.336 3.907 ( 0.560 1.439 -1.884) 2.436 4.844 ( -5.563 8.979 -9.467) 14.184 5.045 ( 4.700 -2.445 4.766) 7.127 5.211 ( -8.966 -6.215 -2.120) 11.113 6.173 ( 0.280 -1.129 3.370) 3.565 7.403 ( -0.776 0.318 -2.999) 3.114 8.017 ( -0.789 -0.649 -2.550) 2.747 8.314 ( 1.928 1.658 -0.297) 2.560 8.914 ( 0.634 -9.571 6.926) 11.831 9.453 ( 2.709 10.725 9.242) 14.415 9.724 ( -0.029 -0.502 2.043) 2.104 14.110 ( -8.092 -1.444 -11.964) 14.515 14.954 ( 17.432 -5.343 19.090) 26.399 16.344 ( -3.249 21.489 17.145) 27.681 17.048 ( -9.304 -8.007 18.683) 22.355 18.608 ( 0.640 -2.666 -15.888) 16.123 18.766 ( 2.344 -4.438 -28.027) 28.472 ======================= Grid point 424 (200/226) ======================= q-point: ( 0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 3.382 -4.401 17.638) 18.490 1.749 ( -5.988 -1.185 8.538) 10.496 1.987 ( 4.133 -3.505 7.200) 9.011 2.774 ( -2.630 1.960 1.858) 3.769 2.899 ( -0.548 10.734 3.516) 11.309 3.422 ( 1.996 -4.451 -4.996) 6.982 3.811 ( 7.035 -4.476 5.758) 10.134 4.128 ( -8.234 -5.939 6.560) 12.087 4.705 ( -1.026 -5.020 -2.240) 5.592 5.023 ( 1.365 4.440 -2.779) 5.413 5.602 ( -1.681 -4.925 9.151) 10.527 6.272 ( 4.283 -4.199 -5.618) 8.218 7.660 ( 3.471 -10.210 0.780) 10.812 8.153 ( 1.706 -1.259 -0.673) 2.225 8.305 ( -3.940 -1.747 -0.668) 4.362 8.971 ( -1.378 11.719 1.324) 11.873 9.017 ( 6.878 4.274 -3.735) 8.918 9.344 ( -8.563 6.810 -6.107) 12.530 14.093 ( -2.318 -8.874 14.069) 16.794 14.774 ( 2.329 13.222 3.166) 13.794 15.623 ( 9.506 17.718 -2.785) 20.299 16.226 ( -23.592 12.429 -11.659) 29.103 18.832 ( 1.841 -4.344 -2.555) 5.366 20.333 ( 12.654 -29.391 0.345) 32.001 ======================= Grid point 425 (201/226) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 3.290 -3.947 17.036) 17.794 1.638 ( -7.336 -6.961 9.881) 14.139 2.069 ( 4.498 -3.845 1.487) 6.101 2.760 ( -1.665 1.491 2.033) 3.021 3.061 ( 2.338 13.951 0.929) 14.176 3.331 ( -1.846 -7.328 -4.876) 8.993 3.899 ( -4.901 -4.643 8.443) 10.811 3.949 ( 3.360 -13.659 1.563) 14.153 4.635 ( 0.274 -5.152 0.990) 5.254 5.070 ( 0.670 5.588 -4.170) 7.004 5.594 ( 1.565 -8.956 8.684) 12.573 6.242 ( -0.883 -1.127 -3.417) 3.705 7.591 ( 0.470 -10.681 0.838) 10.724 8.171 ( 1.489 -4.160 -1.054) 4.543 8.219 ( -1.525 -0.501 -1.061) 1.924 9.008 ( -6.913 12.865 4.682) 15.337 9.205 ( 2.113 2.435 -2.566) 4.121 9.290 ( 3.425 13.507 -8.871) 16.519 14.092 ( 2.266 -8.673 13.814) 16.468 14.936 ( -1.928 13.870 -4.035) 14.573 15.862 ( -13.792 21.374 1.778) 25.499 16.080 ( 11.667 16.648 -11.245) 23.232 18.789 ( 0.498 -5.319 -2.027) 5.714 20.131 ( 1.270 -37.785 1.627) 37.842 ======================= Grid point 426 (202/226) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -7.011 -7.247 10.578) 14.614 1.705 ( 3.988 -3.501 12.531) 13.608 2.045 ( 0.409 -6.594 -6.717) 9.422 2.778 ( 0.848 -0.149 2.439) 2.586 3.173 ( -3.586 -3.761 -3.896) 6.495 3.216 ( -0.555 5.580 2.630) 6.194 3.715 ( -5.254 -7.453 1.261) 9.206 3.972 ( 4.878 -9.384 0.920) 10.616 4.649 ( 4.244 -4.907 6.491) 9.177 5.094 ( -1.157 6.463 -5.421) 8.515 5.572 ( 1.223 -10.685 4.871) 11.807 6.196 ( -2.914 1.577 -0.510) 3.352 7.500 ( -0.623 -7.754 -0.080) 7.779 8.108 ( -0.044 -4.638 -1.822) 4.983 8.234 ( 0.649 0.313 1.420) 1.592 9.011 ( -7.380 9.915 -2.907) 12.697 9.231 ( 0.828 4.251 5.217) 6.780 9.492 ( 7.322 11.861 -6.212) 15.260 14.180 ( 6.813 -7.679 14.096) 17.438 14.845 ( -13.376 9.105 -14.472) 21.709 15.986 ( -0.165 25.590 10.418) 27.630 16.464 ( 16.195 16.966 -6.770) 24.413 18.725 ( -0.689 -4.819 -1.849) 5.208 19.679 ( -9.358 -40.352 -1.713) 41.459 ======================= Grid point 427 (203/226) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -0.718 -5.116 7.090) 8.773 1.765 ( -2.705 -1.258 7.255) 7.845 1.888 ( -0.817 -9.904 -12.328) 15.835 2.771 ( -1.954 -4.695 1.958) 5.449 3.071 ( 1.257 -6.581 0.661) 6.733 3.235 ( -7.264 7.753 2.389) 10.889 3.647 ( 4.169 -3.946 -4.619) 7.368 3.940 ( 0.473 -5.583 -0.500) 5.625 4.747 ( 6.457 -4.926 9.642) 12.607 5.090 ( -2.829 7.633 -6.360) 10.331 5.472 ( -3.834 -8.504 -0.713) 9.355 6.176 ( -1.440 0.868 1.879) 2.521 7.428 ( -0.468 -4.285 -1.162) 4.464 8.067 ( -0.514 -2.001 -0.542) 2.136 8.255 ( 0.783 0.059 1.996) 2.145 8.941 ( -4.347 1.054 -2.804) 5.279 9.364 ( 2.859 7.071 6.900) 10.285 9.657 ( 4.081 8.526 -3.506) 10.081 14.316 ( 4.660 -5.463 9.091) 11.585 14.611 ( -7.441 3.771 -9.767) 12.844 16.395 ( 3.293 31.105 15.517) 34.916 16.817 ( 14.838 9.040 -4.292) 17.898 18.655 ( -1.345 -3.350 -2.511) 4.398 19.055 ( -14.748 -36.957 -8.536) 40.697 ======================= Grid point 428 (204/226) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 6.713 0.749 -0.640) 6.785 1.616 ( -7.067 -6.739 -9.344) 13.516 1.768 ( -3.109 -2.767 0.881) 4.255 2.682 ( -1.908 -5.630 1.496) 6.130 3.064 ( 0.997 -2.985 -1.049) 3.317 3.200 ( -6.406 7.539 3.142) 10.380 3.667 ( 5.690 -4.092 -6.457) 9.529 3.898 ( -0.262 -1.012 -0.771) 1.300 4.878 ( 5.977 -2.435 9.189) 11.229 5.064 ( -4.443 7.949 -7.247) 11.639 5.280 ( -8.141 -5.771 -3.800) 10.678 6.178 ( -0.102 -1.330 2.420) 2.763 7.388 ( 0.084 -1.290 -1.963) 2.351 8.035 ( -2.056 0.322 -0.135) 2.085 8.295 ( 1.958 0.870 1.162) 2.438 8.865 ( -1.253 -5.621 1.739) 6.016 9.530 ( 4.245 5.634 6.018) 9.273 9.738 ( 0.153 3.594 -1.152) 3.777 14.210 ( -10.761 3.891 -10.445) 15.493 14.705 ( 14.873 -8.368 13.688) 21.876 16.778 ( -5.602 25.894 14.312) 30.112 17.078 ( 9.716 -0.885 4.742) 10.848 18.394 ( -8.168 -18.431 -21.603) 29.549 18.653 ( -0.382 -3.518 -1.619) 3.891 ======================= Grid point 435 (205/226) ======================= q-point: ( 0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 1.387 -1.686 13.090) 13.271 1.792 ( 5.280 -2.180 -0.533) 5.737 1.943 ( -4.633 -5.574 2.401) 7.635 2.827 ( 0.150 1.990 0.458) 2.048 3.008 ( 0.812 4.245 5.135) 6.711 3.332 ( 2.130 -1.355 -3.075) 3.979 3.701 ( 1.500 -5.491 1.269) 5.832 4.140 ( -1.264 -9.235 -4.883) 10.523 4.772 ( -7.338 1.143 6.874) 10.120 4.998 ( 3.213 3.367 -5.901) 7.515 5.586 ( 0.431 -9.590 2.936) 10.039 6.161 ( 4.317 0.940 0.103) 4.420 7.521 ( 3.136 -6.702 -0.620) 7.425 8.114 ( 0.605 -1.075 -1.385) 1.854 8.346 ( -2.801 -1.217 -2.589) 4.004 8.908 ( 4.474 3.404 -0.908) 5.695 9.142 ( 0.334 10.162 6.821) 12.244 9.516 ( -8.357 5.675 -3.923) 10.836 14.201 ( -9.373 -7.923 15.005) 19.385 14.730 ( 10.990 8.048 -10.416) 17.148 15.765 ( 1.785 23.548 11.059) 26.077 16.675 ( -21.455 10.387 -6.145) 24.617 18.735 ( 2.079 -4.878 -2.307) 5.783 19.763 ( 17.214 -30.025 -6.804) 35.272 ======================= Grid point 436 (206/226) ======================= q-point: ( 0.45 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 3.068 -4.889 13.910) 15.060 1.773 ( -7.235 -3.832 4.835) 9.508 1.893 ( 7.712 -8.591 -2.505) 11.813 2.822 ( -2.638 0.676 0.778) 2.832 3.117 ( 3.749 4.705 2.214) 6.410 3.278 ( -2.301 -3.395 -5.570) 6.917 3.710 ( 6.909 -10.003 2.176) 12.351 4.002 ( -3.850 -6.440 1.134) 7.588 4.676 ( -7.669 -2.581 7.629) 11.121 5.058 ( 3.171 4.784 -5.873) 8.212 5.522 ( 0.861 -11.361 6.195) 12.969 6.221 ( 1.794 1.712 -1.781) 3.053 7.489 ( 1.358 -7.813 1.029) 7.997 8.111 ( 0.964 -2.615 -1.018) 2.967 8.253 ( -3.599 -0.892 -0.478) 3.738 9.046 ( 8.900 3.398 -4.302) 10.453 9.313 ( -1.060 15.084 6.895) 16.619 9.391 ( -8.566 7.115 -7.687) 13.531 14.101 ( -3.253 -8.629 13.738) 16.546 14.942 ( 10.034 12.009 -13.384) 20.592 16.135 ( 1.949 26.326 3.768) 26.665 16.351 ( -20.745 16.094 -4.407) 26.623 18.704 ( 1.742 -6.092 -0.606) 6.365 19.644 ( 11.113 -41.008 0.739) 42.494 ======================= Grid point 437 (207/226) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -4.498 -7.977 6.695) 11.344 1.686 ( 1.820 -4.374 9.022) 10.190 1.886 ( 3.116 -8.838 -3.094) 9.868 2.789 ( -1.261 -0.426 0.566) 1.446 3.118 ( -1.906 -10.466 -0.196) 10.640 3.258 ( 3.822 5.352 -4.214) 7.810 3.727 ( 0.252 -4.247 1.305) 4.450 3.913 ( -3.209 -4.760 7.824) 9.704 4.606 ( -1.252 -5.679 9.207) 10.889 5.112 ( 1.801 5.760 -6.468) 8.847 5.473 ( 1.610 -11.489 5.907) 13.019 6.233 ( -0.539 1.910 -2.631) 3.296 7.437 ( -0.032 -6.684 1.796) 6.921 8.067 ( -0.534 -4.335 0.343) 4.382 8.239 ( 0.210 1.643 0.392) 1.702 9.193 ( 6.633 0.711 -2.390) 7.086 9.235 ( -9.799 9.942 -7.729) 15.957 9.515 ( 2.857 13.719 1.227) 14.067 14.105 ( 2.985 -8.181 13.466) 16.037 15.033 ( -4.871 13.654 -18.864) 23.791 16.105 ( -0.641 12.851 -12.846) 18.181 16.617 ( 1.150 30.272 13.939) 33.347 18.669 ( 0.772 -5.402 0.530) 5.483 19.338 ( 0.569 -45.178 3.537) 45.320 ======================= Grid point 438 (208/226) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -5.202 -7.685 8.258) 12.423 1.692 ( 2.928 -8.453 -9.329) 12.925 1.851 ( -1.539 -2.061 9.857) 10.187 2.773 ( -0.912 -3.028 1.763) 3.621 3.003 ( -0.462 -7.313 1.903) 7.571 3.322 ( 3.197 0.649 -4.665) 5.693 3.650 ( -7.812 1.824 3.329) 8.685 3.899 ( 0.363 -3.392 4.111) 5.342 4.652 ( 5.523 -6.711 11.659) 14.542 5.145 ( -0.072 6.828 -6.860) 9.679 5.417 ( 0.262 -10.018 3.183) 10.514 6.213 ( -1.521 1.126 -2.489) 3.126 7.388 ( -0.340 -4.447 1.332) 4.655 8.048 ( 1.013 -1.814 1.917) 2.827 8.260 ( 0.186 0.140 1.826) 1.841 9.061 ( -9.785 4.171 -7.009) 12.738 9.343 ( 7.215 3.323 -2.016) 8.195 9.680 ( 2.563 10.204 -1.086) 10.577 14.205 ( 7.532 -8.394 13.993) 17.972 14.822 ( -16.839 12.353 -19.781) 28.765 16.351 ( 20.573 13.591 -11.206) 27.084 16.964 ( -2.017 24.858 9.870) 26.822 18.635 ( -0.627 -2.925 0.343) 3.011 18.862 ( -9.271 -41.620 6.638) 43.153 ======================= Grid point 439 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.901 -5.357 5.431) 7.682 1.567 ( -2.852 -3.331 -7.585) 8.762 1.867 ( -3.592 0.372 8.497) 9.232 2.702 ( -3.835 -4.072 3.267) 6.478 3.005 ( 2.736 -2.629 3.020) 4.849 3.325 ( 1.005 0.172 -4.301) 4.420 3.591 ( -3.969 3.832 1.197) 5.645 3.889 ( -0.351 -1.744 0.720) 1.919 4.787 ( 7.743 -5.764 12.844) 16.067 5.153 ( -1.735 6.580 -6.381) 9.328 5.314 ( -4.355 -5.707 -1.620) 7.360 6.180 ( -0.871 -0.712 -1.465) 1.847 7.361 ( 0.171 -1.973 0.410) 2.022 8.071 ( -0.230 0.950 2.061) 2.281 8.280 ( 1.308 -1.009 3.157) 3.563 8.897 ( -7.337 0.028 -5.043) 8.903 9.481 ( 7.470 1.553 -1.027) 7.698 9.770 ( 0.361 4.825 -2.014) 5.241 14.333 ( 2.290 -3.475 7.712) 8.764 14.575 ( -6.539 4.969 -8.841) 12.067 16.793 ( 23.791 8.424 -9.425) 26.941 17.097 ( -5.196 7.542 -4.723) 10.305 18.377 ( -14.965 -15.930 11.751) 24.815 18.632 ( -0.019 -2.944 3.325) 4.441 ======================= Grid point 446 (210/226) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -0.808 0.137 6.629) 6.680 1.609 ( 5.959 -6.935 -6.436) 11.182 1.998 ( -4.292 -1.943 -3.805) 6.056 2.799 ( 3.468 -0.791 -0.564) 3.602 3.019 ( 2.048 1.146 0.663) 2.438 3.270 ( 4.014 -0.158 0.076) 4.017 3.698 ( -6.676 -4.370 -1.466) 8.113 4.005 ( 1.326 -7.328 -6.923) 10.168 4.891 ( 5.571 2.003 -11.803) 13.205 4.988 ( -6.751 4.569 8.954) 12.109 5.450 ( 5.440 -7.884 -0.931) 9.623 6.145 ( 0.912 0.732 4.203) 4.363 7.420 ( 2.045 -3.593 -1.762) 4.494 8.094 ( 0.042 0.187 -2.504) 2.511 8.326 ( 1.426 0.446 -4.754) 4.983 8.931 ( -5.197 -4.568 6.053) 9.193 9.248 ( 4.044 10.774 6.907) 13.422 9.672 ( -5.381 4.374 0.459) 6.950 14.427 ( -10.054 -6.693 6.622) 13.774 14.520 ( 6.400 4.148 -4.262) 8.736 16.082 ( 0.416 25.285 15.531) 29.676 17.005 ( -8.521 2.593 6.304) 10.912 18.655 ( 0.137 -3.773 -2.311) 4.426 19.147 ( 12.700 -23.105 -21.720) 34.160 ======================= Grid point 447 (211/226) ======================= q-point: ( 0.45 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 1.666 -5.062 1.886) 5.653 1.659 ( 8.627 -7.440 3.499) 11.917 1.859 ( -5.716 -3.513 -1.687) 6.917 2.819 ( 2.129 -3.596 -2.090) 4.673 3.072 ( 3.548 -0.967 0.487) 3.710 3.278 ( -4.145 -1.766 -2.387) 5.099 3.583 ( 2.091 -3.349 2.010) 4.431 3.951 ( 1.665 -4.090 -1.692) 4.729 4.883 ( -7.558 1.502 2.848) 8.215 4.992 ( 2.315 3.300 -3.168) 5.127 5.426 ( 1.845 -10.391 3.777) 11.209 6.195 ( 1.927 0.992 -0.127) 2.171 7.412 ( 1.665 -3.898 0.482) 4.266 8.077 ( -0.100 -1.312 -1.362) 1.894 8.293 ( -2.059 -0.501 -1.600) 2.655 8.920 ( 4.492 -0.417 -0.873) 4.595 9.430 ( 1.788 9.511 1.185) 9.750 9.608 ( -8.276 7.350 0.321) 11.073 14.217 ( -10.212 -8.676 13.185) 18.798 14.723 ( 14.864 8.811 -15.179) 23.000 16.472 ( -0.844 30.803 10.133) 32.437 16.792 ( -19.634 9.450 -4.305) 22.211 18.613 ( 1.956 -7.595 1.580) 8.000 19.025 ( 15.179 -34.675 -5.206) 38.208 ======================= Grid point 448 (212/226) ======================= q-point: ( 0.55 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 4.019 -3.904 -1.872) 5.908 1.660 ( -2.727 -9.658 2.738) 10.402 1.813 ( 2.705 -4.341 9.659) 10.929 2.790 ( 0.570 -3.378 -1.763) 3.853 3.061 ( -2.912 -7.564 2.359) 8.442 3.188 ( 2.205 0.311 -5.477) 5.912 3.693 ( 5.018 2.822 5.349) 7.858 3.937 ( 0.584 -4.190 2.759) 5.050 4.746 ( -11.534 -3.034 11.108) 16.299 5.059 ( 4.736 4.360 -7.595) 9.956 5.374 ( 1.278 -10.870 4.691) 11.908 6.219 ( 1.232 0.745 -3.328) 3.626 7.402 ( 0.101 -3.585 2.604) 4.432 8.042 ( -0.630 -3.319 0.521) 3.419 8.267 ( -1.016 1.897 0.129) 2.156 9.025 ( 9.196 0.264 -5.024) 10.482 9.424 ( -8.021 7.277 -8.765) 13.933 9.632 ( -0.853 9.114 3.577) 9.828 14.108 ( -3.010 -8.133 12.653) 15.339 14.959 ( 12.541 12.441 -19.274) 26.145 16.339 ( -22.091 13.373 -15.812) 30.279 16.955 ( 2.436 24.943 10.276) 27.086 18.597 ( 2.934 -9.000 5.700) 11.050 18.886 ( 7.810 -35.521 6.926) 37.023 ======================= Grid point 449 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -5.281 -8.962 4.929) 11.511 1.562 ( 2.326 1.440 -1.266) 3.014 1.889 ( 2.449 -4.975 12.755) 13.908 2.761 ( -0.014 -1.995 -0.860) 2.173 2.971 ( -1.133 -4.710 3.392) 5.914 3.210 ( 3.649 -2.623 -3.840) 5.911 3.800 ( -1.265 5.235 2.138) 5.794 3.921 ( -1.327 -4.371 7.508) 8.789 4.641 ( -3.871 -6.020 14.485) 16.157 5.129 ( 3.578 5.566 -7.945) 10.339 5.321 ( 1.651 -10.697 3.688) 11.435 6.210 ( 0.013 0.466 -4.490) 4.514 7.380 ( -1.074 -2.656 3.148) 4.256 8.026 ( 1.081 -1.985 2.939) 3.708 8.280 ( -0.502 1.672 0.753) 1.901 9.128 ( 5.759 -2.344 -5.282) 8.158 9.293 ( -6.696 8.849 -10.505) 15.281 9.723 ( 1.502 5.880 -0.928) 6.140 14.115 ( 3.306 -8.358 12.995) 15.801 15.044 ( -5.218 15.578 -22.588) 27.931 16.158 ( 1.904 11.070 -14.559) 18.388 17.185 ( 0.329 9.283 -5.402) 10.746 18.609 ( 2.057 -7.621 10.197) 12.895 18.722 ( -2.788 -21.367 19.950) 29.366 ======================= Grid point 450 (214/226) ======================= q-point: (-0.27 -0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -3.449 -8.522 5.878) 10.912 1.603 ( -2.312 5.879 1.189) 6.428 1.946 ( 0.290 -4.164 10.446) 11.249 2.734 ( -0.746 -1.945 0.357) 2.114 2.995 ( 1.149 1.360 8.350) 8.538 3.199 ( 3.617 -4.818 -5.735) 8.318 3.789 ( -6.953 6.121 3.139) 9.780 3.898 ( -2.163 -2.412 3.885) 5.059 4.698 ( 5.251 -6.263 15.505) 17.527 5.161 ( 0.396 1.980 -7.020) 7.305 5.285 ( 1.970 -4.987 1.816) 5.661 6.172 ( -1.079 -0.173 -4.606) 4.734 7.362 ( -0.993 -1.026 2.599) 2.966 8.078 ( 2.632 0.507 4.343) 5.104 8.282 ( -0.781 -0.555 2.124) 2.330 9.021 ( -9.282 1.089 -7.863) 12.214 9.325 ( 7.768 1.915 -7.737) 11.129 9.774 ( 1.426 2.228 -3.494) 4.382 14.214 ( 8.025 -9.279 14.283) 18.828 14.838 ( -17.495 15.364 -19.976) 30.679 16.398 ( 21.873 9.719 -14.885) 28.186 17.027 ( -3.674 -16.415 -21.611) 27.385 18.640 ( -0.179 0.509 3.706) 3.745 18.697 ( -9.495 -0.440 38.859) 40.005 ======================= Grid point 534 (215/226) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 -0.000 13.678) 13.678 1.644 ( 0.000 -0.000 13.678) 13.678 2.061 ( 0.000 -0.000 15.461) 15.461 2.689 ( 0.000 -0.000 0.788) 0.788 2.689 ( 0.000 -0.000 0.788) 0.788 3.532 ( -0.000 0.000 -6.609) 6.609 4.042 ( 0.000 -0.000 11.552) 11.552 4.042 ( 0.000 -0.000 11.552) 11.552 4.881 ( -0.000 0.000 -4.102) 4.102 4.881 ( 0.000 0.000 -4.102) 4.102 5.620 ( 0.000 -0.000 14.365) 14.365 6.426 ( -0.000 0.000 -11.834) 11.834 7.948 ( 0.000 -0.000 2.673) 2.673 8.238 ( 0.000 -0.000 1.697) 1.697 8.238 ( 0.000 -0.000 1.697) 1.697 8.854 ( -0.000 0.000 -9.546) 9.546 8.854 ( -0.000 0.000 -9.546) 9.546 9.154 ( 0.000 -0.000 0.338) 0.338 14.391 ( 0.000 -0.000 13.367) 13.367 14.391 ( 0.000 -0.000 13.367) 13.367 15.617 ( -0.000 0.000 -12.019) 12.019 15.617 ( -0.000 0.000 -12.019) 12.019 18.915 ( -0.000 0.000 -2.000) 2.000 20.923 ( 0.000 -0.000 0.688) 0.688 ======================= Grid point 535 (216/226) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -5.942 -2.828 14.238) 15.685 1.782 ( 2.798 -0.785 8.456) 8.942 2.118 ( -3.601 -0.069 9.566) 10.222 2.709 ( 3.128 -0.387 0.275) 3.164 2.794 ( 6.281 5.883 1.440) 8.726 3.453 ( -3.155 -2.218 -4.973) 6.293 3.943 ( -8.546 -6.087 9.620) 14.235 4.219 ( 3.436 2.391 7.783) 8.837 4.767 ( -2.722 -1.319 -2.520) 3.937 4.931 ( 2.317 1.529 -5.222) 5.914 5.715 ( 0.085 0.655 12.281) 12.298 6.293 ( -4.516 -2.867 -10.179) 11.499 7.832 ( -8.979 -5.262 1.042) 10.460 8.205 ( -3.086 0.984 0.939) 3.373 8.304 ( 2.194 0.496 0.022) 2.249 8.736 ( 3.997 -5.733 -3.374) 7.761 8.980 ( 4.265 8.447 -4.578) 10.512 9.211 ( 6.329 3.360 -2.919) 7.737 14.331 ( -4.515 -1.052 14.704) 15.417 14.629 ( 4.660 1.991 5.443) 7.437 15.401 ( -0.790 -4.502 -3.956) 6.045 15.910 ( 21.011 14.721 -13.669) 29.069 18.874 ( -2.464 -1.293 -1.911) 3.376 20.727 ( -17.286 -9.544 0.281) 19.748 ======================= Grid point 536 (217/226) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -4.396 -4.520 13.267) 14.689 1.821 ( -1.235 -2.340 2.941) 3.956 2.068 ( -5.712 1.143 1.046) 5.919 2.770 ( 3.037 0.478 -0.049) 3.074 2.978 ( 5.539 4.175 4.935) 8.513 3.338 ( -3.508 -3.578 -3.492) 6.107 3.798 ( -6.580 -4.748 4.903) 9.480 4.235 ( -3.459 -1.321 -4.739) 6.014 4.789 ( 3.652 1.556 6.853) 7.920 4.916 ( -0.415 0.523 -7.949) 7.977 5.738 ( -5.130 -1.428 3.557) 6.404 6.154 ( -2.191 -2.211 -1.896) 3.644 7.635 ( -8.061 -4.245 -1.053) 9.171 8.157 ( -3.824 1.089 -0.395) 3.996 8.303 ( 1.532 -3.525 -4.214) 5.704 8.825 ( 7.279 1.222 6.164) 9.616 9.076 ( 1.679 2.655 2.510) 4.021 9.378 ( 9.949 6.823 -5.773) 13.374 14.413 ( 1.106 3.332 16.496) 16.865 14.595 ( -4.303 -3.805 -9.092) 10.755 15.508 ( 10.520 1.587 10.977) 15.287 16.372 ( 24.842 16.137 -12.817) 32.277 18.791 ( -3.861 -1.866 -2.053) 4.754 20.202 ( -28.679 -15.534 -2.942) 32.748 ======================= Grid point 537 (218/226) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -1.791 -4.789 9.446) 10.741 1.716 ( -8.509 -1.842 -2.138) 8.965 2.001 ( -1.682 0.603 -6.646) 6.882 2.792 ( -0.416 -0.556 -0.326) 0.767 3.058 ( -3.032 -1.210 5.787) 6.644 3.245 ( -0.224 -4.145 -1.983) 4.601 3.739 ( 0.256 1.247 -0.341) 1.318 4.080 ( -6.145 -1.582 -9.162) 11.145 4.818 ( -3.560 -0.746 -11.291) 11.863 4.955 ( 6.479 1.644 9.102) 11.293 5.563 ( -9.523 -5.680 -3.566) 11.647 6.161 ( 1.016 0.424 4.629) 4.758 7.479 ( -5.373 -2.277 -2.411) 6.314 8.094 ( -2.816 -0.980 -2.206) 3.709 8.271 ( 1.355 -1.811 -3.056) 3.802 9.043 ( 7.350 5.655 10.553) 14.048 9.124 ( 0.521 -0.946 4.410) 4.541 9.571 ( 8.825 5.355 -3.064) 10.768 14.364 ( -5.214 -7.946 -12.936) 16.052 14.660 ( 5.687 10.158 18.791) 22.105 15.827 ( 12.499 3.876 15.188) 20.048 16.843 ( 21.372 12.525 -7.396) 25.852 18.696 ( -3.370 -1.560 -2.306) 4.371 19.473 ( -32.458 -17.586 -11.124) 38.556 ======================= Grid point 546 (219/226) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.854 -3.440 11.555) 12.087 1.790 ( -1.958 -2.709 6.529) 7.335 2.175 ( 1.348 -4.186 6.417) 7.779 2.722 ( -1.648 2.659 -0.029) 3.129 2.803 ( 1.686 11.269 0.057) 11.395 3.421 ( -0.302 -4.188 -3.764) 5.639 4.068 ( -1.535 -6.064 10.809) 12.488 4.173 ( 0.838 -6.757 3.764) 7.780 4.728 ( 0.357 -4.254 -0.434) 4.291 4.925 ( 0.071 5.839 -6.064) 8.418 5.776 ( 0.507 -3.367 11.693) 12.178 6.239 ( -0.252 -2.269 -9.664) 9.930 7.830 ( -0.070 -12.163 1.277) 12.230 8.216 ( 2.547 -1.717 2.179) 3.765 8.265 ( -1.428 -3.164 -1.662) 3.849 8.797 ( -8.177 9.534 0.807) 12.586 8.947 ( 7.388 13.480 -9.332) 17.983 9.174 ( -0.546 1.457 -0.206) 1.570 14.364 ( 1.095 -9.823 13.802) 16.976 14.714 ( -0.519 8.467 0.928) 8.533 15.516 ( -6.476 12.877 -0.272) 14.416 15.702 ( 5.543 13.829 -13.349) 20.004 18.862 ( 0.083 -3.171 -1.355) 3.450 20.721 ( 0.256 -21.247 0.713) 21.260 ======================= Grid point 547 (220/226) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -5.407 -5.642 9.136) 12.022 1.820 ( 1.804 -2.312 4.836) 5.656 2.129 ( -3.264 -5.441 -1.597) 6.543 2.757 ( 1.628 3.091 1.101) 3.663 2.976 ( 4.456 11.061 0.097) 11.925 3.330 ( -2.538 -5.652 -1.386) 6.349 3.909 ( -9.977 -9.413 6.596) 15.220 4.159 ( 2.468 -9.134 -2.736) 9.849 4.756 ( 4.084 -1.824 6.441) 7.842 4.928 ( -1.632 5.966 -7.503) 9.724 5.778 ( -1.923 -7.291 4.401) 8.731 6.163 ( -1.437 0.689 -3.092) 3.479 7.673 ( -4.726 -9.805 0.007) 10.885 8.185 ( -0.921 -4.702 -2.556) 5.430 8.249 ( 0.074 -0.368 1.511) 1.557 8.828 ( 0.194 8.155 3.331) 8.811 9.136 ( 1.002 10.909 0.483) 10.966 9.244 ( 8.783 5.776 -5.561) 11.892 14.417 ( 4.328 -7.054 13.499) 15.833 14.657 ( -7.796 2.576 -9.952) 12.902 15.611 ( -0.003 18.791 10.975) 21.762 16.052 ( 20.653 18.204 -12.629) 30.289 18.802 ( -2.034 -3.942 -1.180) 4.590 20.349 ( -15.240 -28.399 -0.551) 32.235 ======================= Grid point 548 (221/226) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -3.683 -7.258 8.107) 11.488 1.815 ( -4.487 -0.599 1.601) 4.802 1.967 ( -3.262 -6.432 -9.655) 12.051 2.811 ( -0.095 1.735 1.268) 2.151 3.124 ( 2.673 3.638 3.294) 5.589 3.212 ( -4.925 -4.991 -0.293) 7.018 3.727 ( -2.921 -6.822 0.147) 7.423 4.054 ( -1.950 -6.424 -4.714) 8.203 4.834 ( -1.022 2.076 -3.165) 3.920 4.930 ( 2.604 2.791 2.513) 4.570 5.618 ( -7.604 -7.865 -3.353) 11.442 6.175 ( 1.007 0.920 2.819) 3.131 7.514 ( -4.532 -5.459 -1.529) 7.257 8.112 ( -1.838 -3.239 -1.311) 3.948 8.247 ( -0.840 1.490 0.228) 1.726 8.952 ( 5.816 -1.461 4.750) 7.651 9.248 ( -0.121 9.828 7.013) 12.074 9.449 ( 9.799 8.791 -6.607) 14.729 14.356 ( -8.764 -2.240 -10.959) 14.210 14.656 ( 9.779 -2.855 13.622) 17.010 15.952 ( 3.896 23.285 15.896) 28.461 16.512 ( 23.480 15.735 -12.943) 31.087 18.712 ( -3.007 -3.658 -1.418) 4.943 19.688 ( -26.225 -31.285 -4.189) 41.037 ======================= Grid point 557 (222/226) ======================= q-point: ( 0.45 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 3.541 -3.573 9.037) 10.343 1.837 ( -1.561 -1.448 1.052) 2.374 2.077 ( 5.315 -8.919 3.033) 10.817 2.777 ( -1.721 3.587 -0.858) 4.070 2.956 ( -4.528 10.344 2.139) 11.493 3.344 ( 1.705 -4.444 -2.728) 5.486 3.930 ( 9.668 -9.362 5.146) 14.408 4.153 ( -1.554 -8.595 -2.670) 9.133 4.756 ( -4.902 -0.866 6.948) 8.547 4.920 ( 2.047 4.818 -7.213) 8.912 5.759 ( 2.285 -8.338 5.984) 10.514 6.174 ( 1.170 1.202 -3.935) 4.278 7.671 ( 4.920 -10.104 0.320) 11.242 8.152 ( 2.728 -2.555 0.746) 3.811 8.282 ( -3.185 -1.781 -1.610) 3.989 8.900 ( 4.120 8.057 -4.325) 10.030 9.080 ( -7.444 12.945 5.355) 15.863 9.240 ( -5.854 3.949 -4.185) 8.209 14.373 ( -3.478 -9.491 14.306) 17.517 14.694 ( 7.762 5.764 -9.916) 13.849 15.692 ( 1.435 21.441 6.361) 22.411 15.990 ( -23.353 15.665 -10.182) 29.907 18.798 ( 2.173 -4.214 -0.831) 4.814 20.340 ( 15.617 -29.019 0.422) 32.957 ======================= Grid point 558 (223/226) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -0.308 -5.506 -0.998) 5.605 1.796 ( -0.466 -2.227 6.402) 6.794 2.057 ( 0.895 -9.731 -0.261) 9.775 2.774 ( -0.419 2.358 -0.190) 2.402 3.049 ( 0.510 12.166 -2.371) 12.405 3.292 ( -0.015 -6.478 0.788) 6.526 3.903 ( 0.787 -13.624 -5.182) 14.597 4.081 ( -1.752 -6.263 9.783) 11.747 4.742 ( -0.249 -2.257 8.890) 9.176 4.949 ( 0.694 6.013 -8.220) 10.208 5.728 ( 0.650 -10.633 4.504) 11.566 6.172 ( -0.300 2.269 -3.181) 3.919 7.612 ( -0.004 -10.456 1.241) 10.530 8.156 ( -1.588 -4.574 -0.360) 4.855 8.233 ( 1.939 -0.200 2.490) 3.162 8.977 ( -3.653 10.454 -7.777) 13.532 9.131 ( 3.511 6.559 -3.468) 8.208 9.267 ( -0.398 11.205 4.907) 12.239 14.361 ( 2.543 -8.878 13.754) 16.567 14.730 ( -3.373 6.317 -15.191) 16.795 15.761 ( 0.014 13.268 -13.617) 19.013 16.106 ( 0.558 30.503 13.138) 33.217 18.770 ( 0.083 -4.941 0.044) 4.941 20.160 ( 0.147 -36.616 1.645) 36.653 ======================= Grid point 559 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -3.875 -5.993 1.646) 7.324 1.800 ( 2.408 -6.767 -5.221) 8.880 1.933 ( -5.393 -4.478 1.462) 7.160 2.815 ( 2.199 0.513 1.402) 2.658 3.100 ( 0.207 0.289 -4.263) 4.278 3.271 ( -0.186 0.533 3.152) 3.202 3.724 ( -5.714 -8.590 -0.720) 10.342 4.026 ( -3.116 -5.970 5.318) 8.581 4.815 ( 3.979 -2.540 8.962) 10.130 4.956 ( -0.683 6.828 -7.914) 10.475 5.620 ( -3.804 -9.423 0.078) 10.162 6.176 ( 0.634 1.075 -1.223) 1.747 7.507 ( -2.527 -7.180 0.711) 7.644 8.095 ( -0.723 -2.417 0.362) 2.549 8.283 ( 0.582 -0.103 3.424) 3.474 8.939 ( -3.013 3.815 -3.496) 5.988 9.264 ( 8.639 3.597 -4.197) 10.256 9.439 ( 1.813 14.439 2.581) 14.780 14.431 ( -0.964 -3.971 5.589) 6.923 14.561 ( -2.850 1.234 -8.042) 8.620 15.997 ( 18.589 15.030 -10.064) 25.937 16.495 ( 0.946 29.447 9.980) 31.107 18.710 ( -1.881 -4.445 0.292) 4.835 19.680 ( -14.317 -38.759 1.983) 41.366 ======================= Grid point 668 (225/226) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 -0.000 5.365) 5.365 1.832 ( 0.000 -0.000 5.365) 5.365 2.267 ( 0.000 -0.000 5.684) 5.684 2.685 ( -0.000 0.000 -0.566) 0.566 2.685 ( -0.000 0.000 -0.566) 0.566 3.440 ( -0.000 0.000 -2.653) 2.653 4.236 ( 0.000 -0.000 6.932) 6.932 4.236 ( 0.000 -0.000 6.932) 6.932 4.791 ( -0.000 0.000 -3.944) 3.944 4.791 ( -0.000 0.000 -3.944) 3.944 5.887 ( 0.000 -0.000 12.816) 12.816 6.190 ( -0.000 0.000 -12.031) 12.031 7.985 ( 0.000 -0.000 1.032) 1.032 8.276 ( 0.000 -0.000 1.591) 1.591 8.276 ( 0.000 -0.000 1.591) 1.591 8.712 ( -0.000 0.000 -4.437) 4.437 8.712 ( -0.000 0.000 -4.437) 4.437 9.158 ( 0.000 -0.000 0.134) 0.134 14.604 ( 0.000 -0.000 7.199) 7.199 14.604 ( 0.000 -0.000 7.199) 7.199 15.422 ( -0.000 0.000 -6.734) 6.734 15.422 ( -0.000 0.000 -6.734) 6.734 18.887 ( -0.000 0.000 -0.751) 0.751 20.932 ( 0.000 -0.000 0.251) 0.251 ======================= Grid point 669 (226/226) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -3.284 -2.168 4.971) 6.340 1.853 ( -0.639 -0.350 -1.532) 1.696 2.222 ( -5.980 -3.098 1.406) 6.880 2.713 ( 2.678 1.178 0.447) 2.960 2.803 ( 9.310 5.724 -0.055) 10.929 3.393 ( -2.995 -1.817 -0.970) 3.635 4.123 ( -10.245 -6.466 7.797) 14.407 4.242 ( -3.457 -1.600 -5.608) 6.779 4.797 ( 2.010 3.000 4.071) 5.442 4.804 ( 2.121 -0.521 -5.278) 5.712 5.902 ( -4.926 -2.650 3.580) 6.641 6.130 ( 0.754 0.297 -3.349) 3.446 7.842 ( -10.309 -6.004 -0.011) 11.930 8.230 ( -4.210 -0.038 1.625) 4.513 8.271 ( -0.104 -2.313 -2.999) 3.788 8.758 ( 6.739 2.207 4.733) 8.526 8.891 ( 12.121 8.561 -3.663) 15.285 9.178 ( 2.022 1.129 -0.759) 2.437 14.591 ( -3.064 -5.466 -5.548) 8.370 14.594 ( -3.009 2.271 8.636) 9.423 15.460 ( 8.099 2.771 9.189) 12.558 15.655 ( 19.160 12.579 -11.651) 25.712 18.852 ( -2.743 -1.565 -0.339) 3.176 20.728 ( -17.894 -10.274 -0.121) 20.634 =================== 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 3/31944 10.0 136.427 136.427 165.429 0.000 -0.000 0.000 3/31944 20.0 43.796 43.796 54.936 0.000 -0.000 0.000 3/31944 30.0 20.283 20.283 25.661 0.000 -0.000 0.000 3/31944 40.0 12.174 12.174 15.487 0.000 -0.000 0.000 3/31944 50.0 8.494 8.494 10.825 0.000 -0.000 0.000 3/31944 60.0 6.482 6.482 8.264 0.000 -0.000 0.000 3/31944 70.0 5.238 5.238 6.674 0.000 -0.000 0.000 3/31944 80.0 4.401 4.401 5.602 0.000 -0.000 0.000 3/31944 90.0 3.803 3.803 4.835 0.000 -0.000 0.000 3/31944 100.0 3.359 3.359 4.263 0.000 -0.000 0.000 3/31944 110.0 3.016 3.016 3.821 0.000 -0.000 0.000 3/31944 120.0 2.746 2.746 3.472 0.000 -0.000 0.000 3/31944 130.0 2.529 2.529 3.190 0.000 -0.000 0.000 3/31944 140.0 2.350 2.350 2.957 0.000 -0.000 0.000 3/31944 150.0 2.201 2.201 2.763 0.000 -0.000 0.000 3/31944 160.0 2.075 2.075 2.598 0.000 -0.000 0.000 3/31944 170.0 1.966 1.966 2.456 0.000 -0.000 0.000 3/31944 180.0 1.872 1.872 2.332 0.000 -0.000 0.000 3/31944 190.0 1.788 1.788 2.223 0.000 -0.000 0.000 3/31944 200.0 1.714 1.714 2.125 0.000 -0.000 0.000 3/31944 210.0 1.647 1.647 2.038 0.000 -0.000 0.000 3/31944 220.0 1.587 1.587 1.959 0.000 -0.000 0.000 3/31944 230.0 1.531 1.531 1.887 0.000 -0.000 0.000 3/31944 240.0 1.480 1.480 1.820 0.000 -0.000 0.000 3/31944 250.0 1.433 1.433 1.759 0.000 -0.000 0.000 3/31944 260.0 1.390 1.390 1.703 0.000 -0.000 0.000 3/31944 270.0 1.349 1.349 1.650 0.000 -0.000 0.000 3/31944 280.0 1.310 1.310 1.600 0.000 -0.000 0.000 3/31944 290.0 1.274 1.274 1.554 0.000 -0.000 0.000 3/31944 300.0 1.240 1.240 1.510 0.000 -0.000 0.000 3/31944 310.0 1.208 1.208 1.469 0.000 -0.000 0.000 3/31944 320.0 1.177 1.177 1.430 0.000 -0.000 0.000 3/31944 330.0 1.148 1.148 1.394 0.000 -0.000 0.000 3/31944 340.0 1.121 1.121 1.359 0.000 -0.000 0.000 3/31944 350.0 1.094 1.094 1.325 0.000 -0.000 0.000 3/31944 360.0 1.069 1.069 1.294 0.000 -0.000 0.000 3/31944 370.0 1.045 1.045 1.264 0.000 -0.000 0.000 3/31944 380.0 1.022 1.022 1.235 0.000 -0.000 0.000 3/31944 390.0 1.000 1.000 1.207 0.000 -0.000 0.000 3/31944 400.0 0.979 0.979 1.181 0.000 -0.000 0.000 3/31944 410.0 0.959 0.959 1.156 0.000 -0.000 0.000 3/31944 420.0 0.939 0.939 1.131 0.000 -0.000 0.000 3/31944 430.0 0.921 0.921 1.108 0.000 -0.000 0.000 3/31944 440.0 0.903 0.903 1.086 0.000 -0.000 0.000 3/31944 450.0 0.885 0.885 1.064 0.000 -0.000 0.000 3/31944 460.0 0.868 0.868 1.044 0.000 -0.000 0.000 3/31944 470.0 0.852 0.852 1.024 0.000 -0.000 0.000 3/31944 480.0 0.837 0.837 1.005 0.000 -0.000 0.000 3/31944 490.0 0.822 0.822 0.986 0.000 -0.000 0.000 3/31944 500.0 0.807 0.807 0.968 0.000 -0.000 0.000 3/31944 510.0 0.793 0.793 0.951 0.000 -0.000 0.000 3/31944 520.0 0.779 0.779 0.934 0.000 -0.000 0.000 3/31944 530.0 0.766 0.766 0.918 0.000 -0.000 0.000 3/31944 540.0 0.754 0.754 0.903 0.000 -0.000 0.000 3/31944 550.0 0.741 0.741 0.888 0.000 -0.000 0.000 3/31944 560.0 0.729 0.729 0.873 0.000 -0.000 0.000 3/31944 570.0 0.718 0.718 0.859 0.000 -0.000 0.000 3/31944 580.0 0.707 0.707 0.845 0.000 -0.000 0.000 3/31944 590.0 0.696 0.696 0.832 0.000 -0.000 0.000 3/31944 600.0 0.685 0.685 0.819 0.000 -0.000 0.000 3/31944 610.0 0.675 0.675 0.807 0.000 -0.000 0.000 3/31944 620.0 0.665 0.665 0.795 0.000 -0.000 0.000 3/31944 630.0 0.655 0.655 0.783 0.000 -0.000 0.000 3/31944 640.0 0.646 0.646 0.771 0.000 -0.000 0.000 3/31944 650.0 0.637 0.637 0.760 0.000 -0.000 0.000 3/31944 660.0 0.628 0.628 0.749 0.000 -0.000 0.000 3/31944 670.0 0.619 0.619 0.739 0.000 -0.000 0.000 3/31944 680.0 0.610 0.610 0.729 0.000 -0.000 0.000 3/31944 690.0 0.602 0.602 0.719 0.000 -0.000 0.000 3/31944 700.0 0.594 0.594 0.709 0.000 -0.000 0.000 3/31944 710.0 0.586 0.586 0.700 0.000 -0.000 0.000 3/31944 720.0 0.579 0.579 0.690 0.000 -0.000 0.000 3/31944 730.0 0.571 0.571 0.681 0.000 -0.000 0.000 3/31944 740.0 0.564 0.564 0.673 0.000 -0.000 0.000 3/31944 750.0 0.557 0.557 0.664 0.000 -0.000 0.000 3/31944 760.0 0.550 0.550 0.656 0.000 -0.000 0.000 3/31944 770.0 0.543 0.543 0.648 0.000 -0.000 0.000 3/31944 780.0 0.537 0.537 0.640 0.000 -0.000 0.000 3/31944 790.0 0.530 0.530 0.632 0.000 -0.000 0.000 3/31944 800.0 0.524 0.524 0.625 0.000 -0.000 0.000 3/31944 810.0 0.518 0.518 0.617 0.000 -0.000 0.000 3/31944 820.0 0.512 0.512 0.610 0.000 -0.000 0.000 3/31944 830.0 0.506 0.506 0.603 0.000 -0.000 0.000 3/31944 840.0 0.500 0.500 0.596 0.000 -0.000 0.000 3/31944 850.0 0.495 0.495 0.589 0.000 -0.000 0.000 3/31944 860.0 0.489 0.489 0.583 0.000 -0.000 0.000 3/31944 870.0 0.484 0.484 0.576 0.000 -0.000 0.000 3/31944 880.0 0.479 0.479 0.570 0.000 -0.000 0.000 3/31944 890.0 0.474 0.474 0.564 0.000 -0.000 0.000 3/31944 900.0 0.469 0.469 0.558 0.000 -0.000 0.000 3/31944 910.0 0.464 0.464 0.552 0.000 -0.000 0.000 3/31944 920.0 0.459 0.459 0.546 0.000 -0.000 0.000 3/31944 930.0 0.454 0.454 0.540 0.000 -0.000 0.000 3/31944 940.0 0.449 0.449 0.535 0.000 -0.000 0.000 3/31944 950.0 0.445 0.445 0.529 0.000 -0.000 0.000 3/31944 960.0 0.440 0.440 0.524 0.000 -0.000 0.000 3/31944 970.0 0.436 0.436 0.519 0.000 -0.000 0.000 3/31944 980.0 0.432 0.432 0.514 0.000 -0.000 0.000 3/31944 990.0 0.428 0.428 0.509 0.000 -0.000 0.000 3/31944 1000.0 0.423 0.423 0.504 0.000 -0.000 0.000 3/31944 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:24:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|