----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:20:33]------------------------- 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 2.682010841051691 1.548459681050685 4.925469593333327 b -2.682010841051686 1.548459681050685 4.925469593333327 c 0.000000000000003 -3.096919362101375 4.925469593333327 Atomic positions (fractional): *1 F 0.36887640560040 0.09861600455816 0.76673431791526 18.998 2 F 0.76673431791526 0.36887640560040 0.09861600455815 18.998 3 F 0.90138399544185 0.23326568208474 0.63112359439960 18.998 4 F 0.23326568208474 0.63112359439961 0.90138399544185 18.998 5 F 0.63112359439960 0.90138399544185 0.23326568208474 18.998 6 F 0.09861600455815 0.76673431791527 0.36887640560039 18.998 *7 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 *8 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.364021682103377 0.000000000000000 0.000000000000000 b -2.682010841051689 4.645379043152061 0.000000000000000 c 0.000000000000000 0.000000000000000 14.776408779999997 Atomic positions (fractional): *1 F 0.62413416290912 0.97800792477601 0.74474224269127 18.998 > 1 2 F 0.02199207522399 0.64612623813312 0.74474224269127 18.998 > 2 3 F 0.97945957146645 0.29080082957579 0.92192442397540 18.998 > 3 4 F 0.31134125810934 0.02054042853355 0.92192442397540 18.998 > 4 5 F 0.70919917042421 0.68865874189066 0.92192442397540 18.998 > 5 6 F 0.35387376186688 0.37586583709088 0.74474224269127 18.998 > 6 7 F 0.29080082957579 0.31134125810934 0.07807557602460 18.998 > 1 8 F 0.68865874189066 0.97945957146645 0.07807557602460 18.998 > 2 9 F 0.64612623813312 0.62413416290912 0.25525775730873 18.998 > 3 10 F 0.97800792477601 0.35387376186688 0.25525775730873 18.998 > 4 11 F 0.37586583709088 0.02199207522399 0.25525775730873 18.998 > 5 12 F 0.02054042853355 0.70919917042421 0.07807557602460 18.998 > 6 13 F 0.95746749624246 0.64467459144267 0.41140890935794 18.998 > 1 14 F 0.35532540855733 0.31279290479978 0.41140890935794 18.998 > 2 15 F 0.31279290479978 0.95746749624246 0.58859109064206 18.998 > 3 16 F 0.64467459144267 0.68720709520022 0.58859109064206 18.998 > 4 17 F 0.04253250375754 0.35532540855733 0.58859109064206 18.998 > 5 18 F 0.68720709520022 0.04253250375754 0.41140890935794 18.998 > 6 *19 Cd 0.66666666666667 0.33333333333333 0.83333333333333 112.411 > 7 20 Cd 0.33333333333333 0.66666666666667 0.16666666666667 112.411 > 7 21 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 7 *22 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 8 23 Sn 0.66666666666667 0.33333333333333 0.33333333333333 118.710 > 8 24 Sn 0.33333333333333 0.66666666666667 0.66666666666667 118.710 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.728043364206753 0.000000000000000 0.000000000000000 b -5.364021682103378 9.290758086304121 0.000000000000000 c 0.000000000000000 0.000000000000000 14.776408779999997 Atomic positions (fractional): *1 F 0.31206708145456 0.48900396238800 0.74474224269127 18.998 > 1 2 F 0.81206708145456 0.48900396238800 0.74474224269127 18.998 > 1 3 F 0.31206708145456 0.98900396238800 0.74474224269127 18.998 > 1 4 F 0.81206708145456 0.98900396238800 0.74474224269127 18.998 > 1 5 F 0.01099603761200 0.32306311906656 0.74474224269127 18.998 > 2 6 F 0.51099603761200 0.32306311906656 0.74474224269127 18.998 > 2 7 F 0.01099603761200 0.82306311906656 0.74474224269127 18.998 > 2 8 F 0.51099603761200 0.82306311906656 0.74474224269127 18.998 > 2 9 F 0.48972978573323 0.14540041478790 0.92192442397540 18.998 > 3 10 F 0.98972978573323 0.14540041478790 0.92192442397540 18.998 > 3 11 F 0.48972978573323 0.64540041478790 0.92192442397540 18.998 > 3 12 F 0.98972978573323 0.64540041478790 0.92192442397540 18.998 > 3 13 F 0.15567062905467 0.01027021426677 0.92192442397540 18.998 > 4 14 F 0.65567062905467 0.01027021426677 0.92192442397540 18.998 > 4 15 F 0.15567062905467 0.51027021426677 0.92192442397540 18.998 > 4 16 F 0.65567062905467 0.51027021426677 0.92192442397540 18.998 > 4 17 F 0.35459958521210 0.34432937094533 0.92192442397540 18.998 > 5 18 F 0.85459958521210 0.34432937094533 0.92192442397540 18.998 > 5 19 F 0.35459958521210 0.84432937094533 0.92192442397540 18.998 > 5 20 F 0.85459958521210 0.84432937094533 0.92192442397540 18.998 > 5 21 F 0.17693688093344 0.18793291854544 0.74474224269127 18.998 > 6 22 F 0.67693688093344 0.18793291854544 0.74474224269127 18.998 > 6 23 F 0.17693688093344 0.68793291854544 0.74474224269127 18.998 > 6 24 F 0.67693688093344 0.68793291854544 0.74474224269127 18.998 > 6 25 F 0.14540041478790 0.15567062905467 0.07807557602460 18.998 > 1 26 F 0.64540041478790 0.15567062905467 0.07807557602460 18.998 > 1 27 F 0.14540041478790 0.65567062905467 0.07807557602460 18.998 > 1 28 F 0.64540041478790 0.65567062905467 0.07807557602460 18.998 > 1 29 F 0.34432937094533 0.48972978573323 0.07807557602460 18.998 > 2 30 F 0.84432937094533 0.48972978573323 0.07807557602460 18.998 > 2 31 F 0.34432937094533 0.98972978573323 0.07807557602460 18.998 > 2 32 F 0.84432937094533 0.98972978573323 0.07807557602460 18.998 > 2 33 F 0.32306311906656 0.31206708145456 0.25525775730873 18.998 > 3 34 F 0.82306311906656 0.31206708145456 0.25525775730873 18.998 > 3 35 F 0.32306311906656 0.81206708145456 0.25525775730873 18.998 > 3 36 F 0.82306311906656 0.81206708145456 0.25525775730873 18.998 > 3 37 F 0.48900396238800 0.17693688093344 0.25525775730873 18.998 > 4 38 F 0.98900396238800 0.17693688093344 0.25525775730873 18.998 > 4 39 F 0.48900396238800 0.67693688093344 0.25525775730873 18.998 > 4 40 F 0.98900396238800 0.67693688093344 0.25525775730873 18.998 > 4 41 F 0.18793291854544 0.01099603761200 0.25525775730873 18.998 > 5 42 F 0.68793291854544 0.01099603761200 0.25525775730873 18.998 > 5 43 F 0.18793291854544 0.51099603761200 0.25525775730873 18.998 > 5 44 F 0.68793291854544 0.51099603761200 0.25525775730873 18.998 > 5 45 F 0.01027021426677 0.35459958521210 0.07807557602460 18.998 > 6 46 F 0.51027021426677 0.35459958521210 0.07807557602460 18.998 > 6 47 F 0.01027021426677 0.85459958521210 0.07807557602460 18.998 > 6 48 F 0.51027021426677 0.85459958521210 0.07807557602460 18.998 > 6 49 F 0.47873374812123 0.32233729572134 0.41140890935794 18.998 > 1 50 F 0.97873374812123 0.32233729572134 0.41140890935794 18.998 > 1 51 F 0.47873374812123 0.82233729572134 0.41140890935794 18.998 > 1 52 F 0.97873374812123 0.82233729572134 0.41140890935794 18.998 > 1 53 F 0.17766270427866 0.15639645239989 0.41140890935794 18.998 > 2 54 F 0.67766270427866 0.15639645239989 0.41140890935794 18.998 > 2 55 F 0.17766270427866 0.65639645239989 0.41140890935794 18.998 > 2 56 F 0.67766270427866 0.65639645239989 0.41140890935794 18.998 > 2 57 F 0.15639645239989 0.47873374812123 0.58859109064206 18.998 > 3 58 F 0.65639645239989 0.47873374812123 0.58859109064206 18.998 > 3 59 F 0.15639645239989 0.97873374812123 0.58859109064206 18.998 > 3 60 F 0.65639645239989 0.97873374812123 0.58859109064206 18.998 > 3 61 F 0.32233729572134 0.34360354760011 0.58859109064206 18.998 > 4 62 F 0.82233729572134 0.34360354760011 0.58859109064206 18.998 > 4 63 F 0.32233729572134 0.84360354760011 0.58859109064206 18.998 > 4 64 F 0.82233729572134 0.84360354760011 0.58859109064206 18.998 > 4 65 F 0.02126625187877 0.17766270427866 0.58859109064206 18.998 > 5 66 F 0.52126625187877 0.17766270427866 0.58859109064206 18.998 > 5 67 F 0.02126625187877 0.67766270427866 0.58859109064206 18.998 > 5 68 F 0.52126625187877 0.67766270427866 0.58859109064206 18.998 > 5 69 F 0.34360354760011 0.02126625187877 0.41140890935794 18.998 > 6 70 F 0.84360354760011 0.02126625187877 0.41140890935794 18.998 > 6 71 F 0.34360354760011 0.52126625187877 0.41140890935794 18.998 > 6 72 F 0.84360354760011 0.52126625187877 0.41140890935794 18.998 > 6 *73 Cd 0.33333333333333 0.16666666666667 0.83333333333333 112.411 > 7 74 Cd 0.83333333333333 0.16666666666667 0.83333333333333 112.411 > 7 75 Cd 0.33333333333333 0.66666666666667 0.83333333333333 112.411 > 7 76 Cd 0.83333333333333 0.66666666666667 0.83333333333333 112.411 > 7 77 Cd 0.16666666666667 0.33333333333333 0.16666666666667 112.411 > 7 78 Cd 0.66666666666667 0.33333333333333 0.16666666666667 112.411 > 7 79 Cd 0.16666666666667 0.83333333333333 0.16666666666667 112.411 > 7 80 Cd 0.66666666666667 0.83333333333333 0.16666666666667 112.411 > 7 81 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 7 82 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 7 83 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 7 84 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 7 *85 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 8 86 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 8 87 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 8 88 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 8 89 Sn 0.33333333333333 0.16666666666667 0.33333333333333 118.710 > 8 90 Sn 0.83333333333333 0.16666666666667 0.33333333333333 118.710 > 8 91 Sn 0.33333333333333 0.66666666666667 0.33333333333333 118.710 > 8 92 Sn 0.83333333333333 0.66666666666667 0.33333333333333 118.710 > 8 93 Sn 0.16666666666667 0.33333333333333 0.66666666666667 118.710 > 8 94 Sn 0.66666666666667 0.33333333333333 0.66666666666667 118.710 > 8 95 Sn 0.16666666666667 0.83333333333333 0.66666666666667 118.710 > 8 96 Sn 0.66666666666667 0.83333333333333 0.66666666666667 118.710 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3067426 0.0000000 0.0000000 -0.0000000 2.3067426 0.0000000 0.0000000 0.0000000 2.3616200 -------------------------- Born effective charges -------------------------- 1 F -0.7302749 -0.0341829 -0.0450884 -0.0823909 -1.2927366 -0.5022377 -0.0518467 -0.4911267 -1.0616623 2 F -1.2025991 -0.1903056 0.4574948 -0.2385137 -0.8204124 0.2120711 0.4512516 0.2006628 -1.0616623 3 F -1.1016433 0.2968006 -0.4124064 0.2485925 -0.9213683 0.2901665 -0.3994048 0.2904640 -1.0616623 4 F -1.2025991 -0.1903056 0.4574948 -0.2385137 -0.8204124 0.2120711 0.4512516 0.2006628 -1.0616623 5 F -0.7302749 -0.0341829 -0.0450884 -0.0823909 -1.2927366 -0.5022377 -0.0518467 -0.4911267 -1.0616623 6 F -1.1016433 0.2968006 -0.4124064 0.2485925 -0.9213683 0.2901665 -0.3994048 0.2904640 -1.0616623 7 Cd 2.3836137 0.2243241 0.0000000 -0.2243241 2.3836137 -0.0000000 -0.0000000 -0.0000000 2.5624758 8 Sn 3.6854209 -0.3689483 0.0000000 0.3689483 3.6854209 -0.0000000 -0.0000000 -0.0000000 3.8074981 ---------------------------------------------------------------------------- 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: 304 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): 0.011 Solver_block: 100 / 160 - Time: 0.465 Solver_block: 160 / 160 - Time: 0.321 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.804 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 304 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 00:20:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:20:41]------------------------- 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 2.682010841051691 1.548459681050685 4.925469593333327 b -2.682010841051686 1.548459681050685 4.925469593333327 c 0.000000000000003 -3.096919362101375 4.925469593333327 Atomic positions (fractional): 1 F 0.36887640560040 0.09861600455816 0.76673431791526 18.998 2 F 0.76673431791526 0.36887640560040 0.09861600455815 18.998 3 F 0.90138399544185 0.23326568208474 0.63112359439960 18.998 4 F 0.23326568208474 0.63112359439961 0.90138399544185 18.998 5 F 0.63112359439960 0.90138399544185 0.23326568208474 18.998 6 F 0.09861600455815 0.76673431791527 0.36887640560039 18.998 7 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 8 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.728043364206753 0.000000000000000 0.000000000000000 b -5.364021682103378 9.290758086304121 0.000000000000000 c 0.000000000000000 0.000000000000000 14.776408779999997 Atomic positions (fractional): 1 F 0.31206708145456 0.48900396238800 0.74474224269127 18.998 > 1 2 F 0.81206708145456 0.48900396238800 0.74474224269127 18.998 > 1 3 F 0.31206708145456 0.98900396238800 0.74474224269127 18.998 > 1 4 F 0.81206708145456 0.98900396238800 0.74474224269127 18.998 > 1 5 F 0.01099603761200 0.32306311906656 0.74474224269127 18.998 > 5 6 F 0.51099603761200 0.32306311906656 0.74474224269127 18.998 > 5 7 F 0.01099603761200 0.82306311906656 0.74474224269127 18.998 > 5 8 F 0.51099603761200 0.82306311906656 0.74474224269127 18.998 > 5 9 F 0.48972978573323 0.14540041478790 0.92192442397540 18.998 > 9 10 F 0.98972978573323 0.14540041478790 0.92192442397540 18.998 > 9 11 F 0.48972978573323 0.64540041478790 0.92192442397540 18.998 > 9 12 F 0.98972978573323 0.64540041478790 0.92192442397540 18.998 > 9 13 F 0.15567062905467 0.01027021426677 0.92192442397540 18.998 > 13 14 F 0.65567062905467 0.01027021426677 0.92192442397540 18.998 > 13 15 F 0.15567062905467 0.51027021426677 0.92192442397540 18.998 > 13 16 F 0.65567062905467 0.51027021426677 0.92192442397540 18.998 > 13 17 F 0.35459958521210 0.34432937094533 0.92192442397540 18.998 > 17 18 F 0.85459958521210 0.34432937094533 0.92192442397540 18.998 > 17 19 F 0.35459958521210 0.84432937094533 0.92192442397540 18.998 > 17 20 F 0.85459958521210 0.84432937094533 0.92192442397540 18.998 > 17 21 F 0.17693688093344 0.18793291854544 0.74474224269127 18.998 > 21 22 F 0.67693688093344 0.18793291854544 0.74474224269127 18.998 > 21 23 F 0.17693688093344 0.68793291854544 0.74474224269127 18.998 > 21 24 F 0.67693688093344 0.68793291854544 0.74474224269127 18.998 > 21 25 F 0.14540041478790 0.15567062905467 0.07807557602460 18.998 > 1 26 F 0.64540041478790 0.15567062905467 0.07807557602460 18.998 > 1 27 F 0.14540041478790 0.65567062905467 0.07807557602460 18.998 > 1 28 F 0.64540041478790 0.65567062905467 0.07807557602460 18.998 > 1 29 F 0.34432937094533 0.48972978573323 0.07807557602460 18.998 > 5 30 F 0.84432937094533 0.48972978573323 0.07807557602460 18.998 > 5 31 F 0.34432937094533 0.98972978573323 0.07807557602460 18.998 > 5 32 F 0.84432937094533 0.98972978573323 0.07807557602460 18.998 > 5 33 F 0.32306311906656 0.31206708145456 0.25525775730873 18.998 > 9 34 F 0.82306311906656 0.31206708145456 0.25525775730873 18.998 > 9 35 F 0.32306311906656 0.81206708145456 0.25525775730873 18.998 > 9 36 F 0.82306311906656 0.81206708145456 0.25525775730873 18.998 > 9 37 F 0.48900396238800 0.17693688093344 0.25525775730873 18.998 > 13 38 F 0.98900396238800 0.17693688093344 0.25525775730873 18.998 > 13 39 F 0.48900396238800 0.67693688093344 0.25525775730873 18.998 > 13 40 F 0.98900396238800 0.67693688093344 0.25525775730873 18.998 > 13 41 F 0.18793291854544 0.01099603761200 0.25525775730873 18.998 > 17 42 F 0.68793291854544 0.01099603761200 0.25525775730873 18.998 > 17 43 F 0.18793291854544 0.51099603761200 0.25525775730873 18.998 > 17 44 F 0.68793291854544 0.51099603761200 0.25525775730873 18.998 > 17 45 F 0.01027021426677 0.35459958521210 0.07807557602460 18.998 > 21 46 F 0.51027021426677 0.35459958521210 0.07807557602460 18.998 > 21 47 F 0.01027021426677 0.85459958521210 0.07807557602460 18.998 > 21 48 F 0.51027021426677 0.85459958521210 0.07807557602460 18.998 > 21 49 F 0.47873374812123 0.32233729572134 0.41140890935794 18.998 > 1 50 F 0.97873374812123 0.32233729572134 0.41140890935794 18.998 > 1 51 F 0.47873374812123 0.82233729572134 0.41140890935794 18.998 > 1 52 F 0.97873374812123 0.82233729572134 0.41140890935794 18.998 > 1 53 F 0.17766270427866 0.15639645239989 0.41140890935794 18.998 > 5 54 F 0.67766270427866 0.15639645239989 0.41140890935794 18.998 > 5 55 F 0.17766270427866 0.65639645239989 0.41140890935794 18.998 > 5 56 F 0.67766270427866 0.65639645239989 0.41140890935794 18.998 > 5 57 F 0.15639645239989 0.47873374812123 0.58859109064206 18.998 > 9 58 F 0.65639645239989 0.47873374812123 0.58859109064206 18.998 > 9 59 F 0.15639645239989 0.97873374812123 0.58859109064206 18.998 > 9 60 F 0.65639645239989 0.97873374812123 0.58859109064206 18.998 > 9 61 F 0.32233729572134 0.34360354760011 0.58859109064206 18.998 > 13 62 F 0.82233729572134 0.34360354760011 0.58859109064206 18.998 > 13 63 F 0.32233729572134 0.84360354760011 0.58859109064206 18.998 > 13 64 F 0.82233729572134 0.84360354760011 0.58859109064206 18.998 > 13 65 F 0.02126625187877 0.17766270427866 0.58859109064206 18.998 > 17 66 F 0.52126625187877 0.17766270427866 0.58859109064206 18.998 > 17 67 F 0.02126625187877 0.67766270427866 0.58859109064206 18.998 > 17 68 F 0.52126625187877 0.67766270427866 0.58859109064206 18.998 > 17 69 F 0.34360354760011 0.02126625187877 0.41140890935794 18.998 > 21 70 F 0.84360354760011 0.02126625187877 0.41140890935794 18.998 > 21 71 F 0.34360354760011 0.52126625187877 0.41140890935794 18.998 > 21 72 F 0.84360354760011 0.52126625187877 0.41140890935794 18.998 > 21 73 Cd 0.33333333333333 0.16666666666667 0.83333333333333 112.411 > 73 74 Cd 0.83333333333333 0.16666666666667 0.83333333333333 112.411 > 73 75 Cd 0.33333333333333 0.66666666666667 0.83333333333333 112.411 > 73 76 Cd 0.83333333333333 0.66666666666667 0.83333333333333 112.411 > 73 77 Cd 0.16666666666667 0.33333333333333 0.16666666666667 112.411 > 73 78 Cd 0.66666666666667 0.33333333333333 0.16666666666667 112.411 > 73 79 Cd 0.16666666666667 0.83333333333333 0.16666666666667 112.411 > 73 80 Cd 0.66666666666667 0.83333333333333 0.16666666666667 112.411 > 73 81 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 73 82 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 73 83 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 73 84 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 73 85 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 85 86 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 85 87 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 85 88 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 85 89 Sn 0.33333333333333 0.16666666666667 0.33333333333333 118.710 > 85 90 Sn 0.83333333333333 0.16666666666667 0.33333333333333 118.710 > 85 91 Sn 0.33333333333333 0.66666666666667 0.33333333333333 118.710 > 85 92 Sn 0.83333333333333 0.66666666666667 0.33333333333333 118.710 > 85 93 Sn 0.16666666666667 0.33333333333333 0.66666666666667 118.710 > 85 94 Sn 0.66666666666667 0.33333333333333 0.66666666666667 118.710 > 85 95 Sn 0.16666666666667 0.83333333333333 0.66666666666667 118.710 > 85 96 Sn 0.66666666666667 0.83333333333333 0.66666666666667 118.710 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3067426 0.0000000 0.0000000 -0.0000000 2.3067426 0.0000000 0.0000000 0.0000000 2.3616200 -------------------------- Born effective charges -------------------------- 1 F -0.7302749 -0.0341829 -0.0450884 -0.0823909 -1.2927366 -0.5022377 -0.0518467 -0.4911267 -1.0616623 2 F -1.2025991 -0.1903056 0.4574948 -0.2385137 -0.8204124 0.2120711 0.4512516 0.2006628 -1.0616623 3 F -1.1016433 0.2968006 -0.4124064 0.2485925 -0.9213683 0.2901665 -0.3994048 0.2904640 -1.0616623 4 F -1.2025991 -0.1903056 0.4574948 -0.2385137 -0.8204124 0.2120711 0.4512516 0.2006628 -1.0616623 5 F -0.7302749 -0.0341829 -0.0450884 -0.0823909 -1.2927366 -0.5022377 -0.0518467 -0.4911267 -1.0616623 6 F -1.1016433 0.2968006 -0.4124064 0.2485925 -0.9213683 0.2901665 -0.3994048 0.2904640 -1.0616623 7 Cd 2.3836137 0.2243241 0.0000000 -0.2243241 2.3836137 -0.0000000 -0.0000000 -0.0000000 2.5624758 8 Sn 3.6854209 -0.3689483 0.0000000 0.3689483 3.6854209 -0.0000000 -0.0000000 -0.0000000 3.8074981 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, 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[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxz) 0.00000002 (xxz) 0.00000002 (xzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (xy) -0.00000004 (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 00:20:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:20:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 2.682010841051691 1.548459681050685 4.925469593333327 b -2.682010841051686 1.548459681050685 4.925469593333327 c 0.000000000000003 -3.096919362101375 4.925469593333327 Atomic positions (fractional): 1 F 0.36887640560040 0.09861600455816 0.76673431791526 18.998 2 F 0.76673431791526 0.36887640560040 0.09861600455815 18.998 3 F 0.90138399544185 0.23326568208474 0.63112359439960 18.998 4 F 0.23326568208474 0.63112359439961 0.90138399544185 18.998 5 F 0.63112359439960 0.90138399544185 0.23326568208474 18.998 6 F 0.09861600455815 0.76673431791527 0.36887640560039 18.998 7 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 8 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.728043364206753 0.000000000000000 0.000000000000000 b -5.364021682103378 9.290758086304121 0.000000000000000 c 0.000000000000000 0.000000000000000 14.776408779999997 Atomic positions (fractional): 1 F 0.31206708145456 0.48900396238800 0.74474224269127 18.998 > 1 2 F 0.81206708145456 0.48900396238800 0.74474224269127 18.998 > 1 3 F 0.31206708145456 0.98900396238800 0.74474224269127 18.998 > 1 4 F 0.81206708145456 0.98900396238800 0.74474224269127 18.998 > 1 5 F 0.01099603761200 0.32306311906656 0.74474224269127 18.998 > 5 6 F 0.51099603761200 0.32306311906656 0.74474224269127 18.998 > 5 7 F 0.01099603761200 0.82306311906656 0.74474224269127 18.998 > 5 8 F 0.51099603761200 0.82306311906656 0.74474224269127 18.998 > 5 9 F 0.48972978573323 0.14540041478790 0.92192442397540 18.998 > 9 10 F 0.98972978573323 0.14540041478790 0.92192442397540 18.998 > 9 11 F 0.48972978573323 0.64540041478790 0.92192442397540 18.998 > 9 12 F 0.98972978573323 0.64540041478790 0.92192442397540 18.998 > 9 13 F 0.15567062905467 0.01027021426677 0.92192442397540 18.998 > 13 14 F 0.65567062905467 0.01027021426677 0.92192442397540 18.998 > 13 15 F 0.15567062905467 0.51027021426677 0.92192442397540 18.998 > 13 16 F 0.65567062905467 0.51027021426677 0.92192442397540 18.998 > 13 17 F 0.35459958521210 0.34432937094533 0.92192442397540 18.998 > 17 18 F 0.85459958521210 0.34432937094533 0.92192442397540 18.998 > 17 19 F 0.35459958521210 0.84432937094533 0.92192442397540 18.998 > 17 20 F 0.85459958521210 0.84432937094533 0.92192442397540 18.998 > 17 21 F 0.17693688093344 0.18793291854544 0.74474224269127 18.998 > 21 22 F 0.67693688093344 0.18793291854544 0.74474224269127 18.998 > 21 23 F 0.17693688093344 0.68793291854544 0.74474224269127 18.998 > 21 24 F 0.67693688093344 0.68793291854544 0.74474224269127 18.998 > 21 25 F 0.14540041478790 0.15567062905467 0.07807557602460 18.998 > 1 26 F 0.64540041478790 0.15567062905467 0.07807557602460 18.998 > 1 27 F 0.14540041478790 0.65567062905467 0.07807557602460 18.998 > 1 28 F 0.64540041478790 0.65567062905467 0.07807557602460 18.998 > 1 29 F 0.34432937094533 0.48972978573323 0.07807557602460 18.998 > 5 30 F 0.84432937094533 0.48972978573323 0.07807557602460 18.998 > 5 31 F 0.34432937094533 0.98972978573323 0.07807557602460 18.998 > 5 32 F 0.84432937094533 0.98972978573323 0.07807557602460 18.998 > 5 33 F 0.32306311906656 0.31206708145456 0.25525775730873 18.998 > 9 34 F 0.82306311906656 0.31206708145456 0.25525775730873 18.998 > 9 35 F 0.32306311906656 0.81206708145456 0.25525775730873 18.998 > 9 36 F 0.82306311906656 0.81206708145456 0.25525775730873 18.998 > 9 37 F 0.48900396238800 0.17693688093344 0.25525775730873 18.998 > 13 38 F 0.98900396238800 0.17693688093344 0.25525775730873 18.998 > 13 39 F 0.48900396238800 0.67693688093344 0.25525775730873 18.998 > 13 40 F 0.98900396238800 0.67693688093344 0.25525775730873 18.998 > 13 41 F 0.18793291854544 0.01099603761200 0.25525775730873 18.998 > 17 42 F 0.68793291854544 0.01099603761200 0.25525775730873 18.998 > 17 43 F 0.18793291854544 0.51099603761200 0.25525775730873 18.998 > 17 44 F 0.68793291854544 0.51099603761200 0.25525775730873 18.998 > 17 45 F 0.01027021426677 0.35459958521210 0.07807557602460 18.998 > 21 46 F 0.51027021426677 0.35459958521210 0.07807557602460 18.998 > 21 47 F 0.01027021426677 0.85459958521210 0.07807557602460 18.998 > 21 48 F 0.51027021426677 0.85459958521210 0.07807557602460 18.998 > 21 49 F 0.47873374812123 0.32233729572134 0.41140890935794 18.998 > 1 50 F 0.97873374812123 0.32233729572134 0.41140890935794 18.998 > 1 51 F 0.47873374812123 0.82233729572134 0.41140890935794 18.998 > 1 52 F 0.97873374812123 0.82233729572134 0.41140890935794 18.998 > 1 53 F 0.17766270427866 0.15639645239989 0.41140890935794 18.998 > 5 54 F 0.67766270427866 0.15639645239989 0.41140890935794 18.998 > 5 55 F 0.17766270427866 0.65639645239989 0.41140890935794 18.998 > 5 56 F 0.67766270427866 0.65639645239989 0.41140890935794 18.998 > 5 57 F 0.15639645239989 0.47873374812123 0.58859109064206 18.998 > 9 58 F 0.65639645239989 0.47873374812123 0.58859109064206 18.998 > 9 59 F 0.15639645239989 0.97873374812123 0.58859109064206 18.998 > 9 60 F 0.65639645239989 0.97873374812123 0.58859109064206 18.998 > 9 61 F 0.32233729572134 0.34360354760011 0.58859109064206 18.998 > 13 62 F 0.82233729572134 0.34360354760011 0.58859109064206 18.998 > 13 63 F 0.32233729572134 0.84360354760011 0.58859109064206 18.998 > 13 64 F 0.82233729572134 0.84360354760011 0.58859109064206 18.998 > 13 65 F 0.02126625187877 0.17766270427866 0.58859109064206 18.998 > 17 66 F 0.52126625187877 0.17766270427866 0.58859109064206 18.998 > 17 67 F 0.02126625187877 0.67766270427866 0.58859109064206 18.998 > 17 68 F 0.52126625187877 0.67766270427866 0.58859109064206 18.998 > 17 69 F 0.34360354760011 0.02126625187877 0.41140890935794 18.998 > 21 70 F 0.84360354760011 0.02126625187877 0.41140890935794 18.998 > 21 71 F 0.34360354760011 0.52126625187877 0.41140890935794 18.998 > 21 72 F 0.84360354760011 0.52126625187877 0.41140890935794 18.998 > 21 73 Cd 0.33333333333333 0.16666666666667 0.83333333333333 112.411 > 73 74 Cd 0.83333333333333 0.16666666666667 0.83333333333333 112.411 > 73 75 Cd 0.33333333333333 0.66666666666667 0.83333333333333 112.411 > 73 76 Cd 0.83333333333333 0.66666666666667 0.83333333333333 112.411 > 73 77 Cd 0.16666666666667 0.33333333333333 0.16666666666667 112.411 > 73 78 Cd 0.66666666666667 0.33333333333333 0.16666666666667 112.411 > 73 79 Cd 0.16666666666667 0.83333333333333 0.16666666666667 112.411 > 73 80 Cd 0.66666666666667 0.83333333333333 0.16666666666667 112.411 > 73 81 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 73 82 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 73 83 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 73 84 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 73 85 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 85 86 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 85 87 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 85 88 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 85 89 Sn 0.33333333333333 0.16666666666667 0.33333333333333 118.710 > 85 90 Sn 0.83333333333333 0.16666666666667 0.33333333333333 118.710 > 85 91 Sn 0.33333333333333 0.66666666666667 0.33333333333333 118.710 > 85 92 Sn 0.83333333333333 0.66666666666667 0.33333333333333 118.710 > 85 93 Sn 0.16666666666667 0.33333333333333 0.66666666666667 118.710 > 85 94 Sn 0.66666666666667 0.33333333333333 0.66666666666667 118.710 > 85 95 Sn 0.16666666666667 0.83333333333333 0.66666666666667 118.710 > 85 96 Sn 0.66666666666667 0.83333333333333 0.66666666666667 118.710 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3067426 0.0000000 0.0000000 -0.0000000 2.3067426 0.0000000 0.0000000 0.0000000 2.3616200 -------------------------- Born effective charges -------------------------- 1 F -0.7302749 -0.0341829 -0.0450884 -0.0823909 -1.2927366 -0.5022377 -0.0518467 -0.4911267 -1.0616623 2 F -1.2025991 -0.1903056 0.4574948 -0.2385137 -0.8204124 0.2120711 0.4512516 0.2006628 -1.0616623 3 F -1.1016433 0.2968006 -0.4124064 0.2485925 -0.9213683 0.2901665 -0.3994048 0.2904640 -1.0616623 4 F -1.2025991 -0.1903056 0.4574948 -0.2385137 -0.8204124 0.2120711 0.4512516 0.2006628 -1.0616623 5 F -0.7302749 -0.0341829 -0.0450884 -0.0823909 -1.2927366 -0.5022377 -0.0518467 -0.4911267 -1.0616623 6 F -1.1016433 0.2968006 -0.4124064 0.2485925 -0.9213683 0.2901665 -0.3994048 0.2904640 -1.0616623 7 Cd 2.3836137 0.2243241 0.0000000 -0.2243241 2.3836137 -0.0000000 -0.0000000 -0.0000000 2.5624758 8 Sn 3.6854209 -0.3689483 0.0000000 0.3689483 3.6854209 -0.0000000 -0.0000000 -0.0000000 3.8074981 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxz) 0.00000002 (xxz) 0.00000002 (xzx) 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: 297, Lambda: 0.13 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 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 2.984 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 4.511 ( 0.000 0.000 0.000) 0.000 5.517 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 6.950 ( 0.000 0.000 0.000) 0.000 7.538 ( 0.000 0.000 0.000) 0.000 7.538 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 0.000 0.000) 0.000 13.222 ( 0.000 0.000 0.000) 0.000 13.222 ( 0.000 0.000 0.000) 0.000 16.115 ( 0.000 0.000 0.000) 0.000 16.115 ( 0.000 0.000 0.000) 0.000 16.136 ( 0.000 0.000 0.000) 0.000 17.481 ( 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: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 2.543 25.264 20.032) 32.342 0.449 ( 22.921 15.955 -16.065) 32.218 0.564 ( 26.624 -3.712 22.043) 34.764 2.860 ( -9.580 -0.415 -3.938) 10.366 2.898 ( -2.895 -8.161 -1.333) 8.761 3.471 ( 7.198 2.582 3.688) 8.490 3.593 ( 7.732 5.433 -0.413) 9.459 3.791 ( -2.976 -1.559 4.752) 5.820 4.465 ( -4.225 -1.504 2.065) 4.937 4.859 ( 0.558 0.282 -18.302) 18.312 5.592 ( 5.755 3.596 -2.576) 7.259 5.881 ( -6.215 -4.668 37.079) 37.885 6.925 ( -2.066 -1.297 -0.591) 2.510 7.451 ( -6.592 -3.908 -1.186) 7.755 7.562 ( 1.309 1.699 1.297) 2.507 7.986 ( 2.022 1.084 -0.558) 2.361 8.162 ( -0.169 -1.126 2.048) 2.344 9.120 ( 3.542 3.162 -21.569) 22.086 13.279 ( 6.758 0.139 -0.541) 6.781 13.284 ( 2.074 5.741 5.003) 7.893 16.086 ( -1.881 -0.515 -3.248) 3.788 16.099 ( -3.298 -1.359 0.136) 3.570 17.469 ( -0.923 -0.564 -0.407) 1.155 17.943 ( -1.468 -2.433 7.931) 8.425 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 2.798 24.605 19.651) 31.613 0.888 ( 22.216 14.987 -15.038) 30.729 1.087 ( 23.960 -3.992 19.607) 31.216 2.672 ( -9.080 0.280 -3.272) 9.656 2.757 ( -2.586 -8.912 -0.663) 9.303 3.622 ( 8.413 -6.836 3.730) 11.464 3.662 ( -9.266 2.319 1.183) 9.625 3.829 ( 7.741 7.376 -1.574) 10.807 4.422 ( -0.717 -0.900 4.708) 4.847 4.757 ( -2.179 0.152 -9.550) 9.796 5.697 ( 4.221 3.838 -3.544) 6.716 6.003 ( 2.205 -0.462 19.982) 20.108 6.846 ( -4.199 -3.021 -1.069) 5.282 7.260 ( -8.269 -5.704 -2.227) 10.289 7.628 ( 2.469 2.304 2.934) 4.474 8.021 ( 1.595 0.994 -1.975) 2.726 8.162 ( -0.722 -1.156 4.253) 4.466 9.055 ( -0.880 1.256 -14.098) 14.181 13.439 ( 11.850 1.056 -1.872) 12.044 13.458 ( 3.909 9.421 9.861) 14.187 16.000 ( -3.966 -6.044 0.651) 7.258 16.003 ( -5.902 2.147 -5.624) 8.431 17.435 ( -1.554 -1.076 -0.766) 2.040 17.943 ( 0.080 -2.492 3.795) 4.541 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 2.160 21.767 17.742) 28.165 1.304 ( 20.466 13.621 -13.298) 27.951 1.528 ( 19.740 -4.188 15.844) 25.657 2.528 ( -6.923 1.264 -2.155) 7.360 2.631 ( -2.337 -8.151 0.020) 8.479 3.424 ( -11.051 -7.245 -3.068) 13.565 3.728 ( 7.433 -5.611 2.512) 9.646 4.035 ( 3.126 12.795 3.190) 13.552 4.453 ( 2.248 -4.225 2.182) 5.260 4.700 ( 0.077 3.718 -4.849) 6.110 5.776 ( 3.334 4.568 -4.220) 7.056 6.152 ( 2.143 0.366 13.049) 13.229 6.716 ( -5.910 -4.571 0.847) 7.519 7.060 ( -5.750 -5.810 -4.024) 9.111 7.720 ( 3.464 0.788 5.126) 6.237 8.033 ( 1.203 0.645 -4.459) 4.663 8.174 ( -1.626 1.117 6.965) 7.239 8.940 ( -3.413 -0.420 -12.796) 13.250 13.662 ( 13.763 2.569 -3.308) 14.387 13.707 ( 5.303 10.055 13.075) 17.326 15.856 ( -7.236 -5.099 2.382) 9.166 15.870 ( -5.511 -0.443 -8.785) 10.380 17.390 ( -1.691 -1.319 -0.928) 2.337 17.943 ( 0.515 -2.306 2.276) 3.281 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.706 15.218 12.947) 19.993 1.675 ( 16.992 11.764 -10.706) 23.275 1.866 ( 14.725 -3.724 11.599) 19.111 2.426 ( -5.773 1.715 -2.059) 6.364 2.515 ( -3.132 -6.871 0.785) 7.592 3.153 ( -9.416 -7.207 -2.470) 12.112 3.808 ( 5.898 -4.478 2.457) 7.803 4.212 ( 1.128 11.420 3.393) 11.967 4.408 ( -0.524 -5.315 -2.659) 5.966 4.775 ( 4.119 3.730 0.258) 5.562 5.847 ( 2.403 4.803 -3.855) 6.611 6.199 ( -2.255 -1.837 3.006) 4.183 6.615 ( -4.247 -2.627 9.393) 10.638 6.911 ( -1.694 -4.864 -7.046) 8.728 7.812 ( 3.375 -2.175 6.841) 7.931 8.023 ( 1.047 0.617 -6.382) 6.497 8.228 ( -1.006 5.000 9.115) 10.445 8.777 ( -4.769 -2.505 -12.331) 13.457 13.891 ( 11.570 3.227 -3.461) 12.500 13.971 ( 5.340 7.895 12.345) 15.596 15.699 ( -6.885 -4.490 2.398) 8.562 15.711 ( -5.237 -1.266 -8.727) 10.256 17.346 ( -1.291 -1.091 -0.761) 1.853 17.943 ( 0.462 -1.628 1.288) 2.127 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -0.068 5.404 4.846) 7.259 1.950 ( 8.702 6.880 -5.656) 12.452 2.096 ( 8.947 -2.666 6.642) 11.457 2.329 ( -5.515 1.598 -3.153) 6.550 2.403 ( -3.576 -4.210 1.770) 5.800 2.973 ( -3.605 -3.202 -0.801) 4.888 3.861 ( 2.208 -1.544 1.192) 2.946 4.325 ( -0.556 6.252 1.999) 6.587 4.342 ( 0.690 -3.817 -2.283) 4.501 4.861 ( 1.950 1.254 0.649) 2.408 5.898 ( 0.891 2.713 -1.412) 3.186 6.125 ( -2.058 -2.354 -1.344) 3.404 6.619 ( -1.912 0.093 8.338) 8.555 6.824 ( 0.483 -2.333 -5.624) 6.108 7.866 ( 1.310 -1.907 3.899) 4.534 8.009 ( 0.428 0.497 -3.573) 3.632 8.346 ( 1.442 5.432 8.445) 10.144 8.595 ( -3.835 -3.815 -9.628) 11.043 14.045 ( 4.739 1.584 -1.555) 5.233 14.156 ( 2.495 3.145 5.493) 6.804 15.588 ( -3.880 0.021 -0.039) 3.880 15.588 ( -1.576 -2.759 -2.954) 4.338 17.320 ( -0.481 -0.422 -0.294) 0.704 17.943 ( 0.176 -0.587 0.422) 0.744 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 4.277 12.180 -0.690) 12.928 0.273 ( 10.666 4.595 14.510) 18.585 0.886 ( -3.960 27.764 24.463) 37.215 2.927 ( 0.334 -5.416 1.141) 5.545 2.962 ( -1.715 -2.398 0.243) 2.958 3.416 ( -0.046 6.041 -2.120) 6.403 3.446 ( -1.489 1.919 -2.303) 3.347 3.871 ( 0.341 -3.652 4.164) 5.549 4.453 ( 1.504 -5.511 0.461) 5.732 4.798 ( -0.330 8.739 -13.286) 15.906 5.584 ( 0.389 4.493 0.291) 4.519 6.118 ( -1.571 -21.980 39.436) 45.175 6.921 ( -0.208 -2.349 -0.928) 2.534 7.472 ( 3.049 -6.252 1.080) 7.039 7.544 ( -1.297 0.960 -0.635) 1.734 7.983 ( -2.016 0.788 -0.960) 2.367 8.121 ( 0.162 -0.557 -2.243) 2.317 9.005 ( 1.577 16.877 -24.862) 30.090 13.221 ( -0.074 -0.008 -0.117) 0.139 13.386 ( 1.116 10.822 8.783) 13.982 16.115 ( 1.464 0.023 -0.040) 1.465 16.129 ( 0.071 0.544 -0.873) 1.031 17.462 ( -0.077 -1.432 -1.081) 1.796 17.926 ( -2.138 -11.100 5.904) 12.753 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 19.745 16.915 -13.119) 29.122 0.732 ( 23.617 -2.335 19.765) 30.885 1.242 ( -2.075 24.908 22.285) 33.487 2.781 ( -8.578 -6.336 4.705) 11.656 2.822 ( -8.705 1.419 -5.035) 10.156 3.452 ( 4.973 -5.812 4.481) 8.865 3.636 ( 10.375 0.971 -6.866) 12.479 3.819 ( -1.080 2.441 -1.426) 3.026 4.430 ( 0.911 -4.042 1.824) 4.527 4.779 ( -3.313 5.282 -5.240) 8.144 5.659 ( 3.283 3.393 -1.226) 4.878 6.096 ( -1.879 -8.012 21.566) 23.083 6.859 ( -2.396 -3.836 -1.808) 4.871 7.333 ( -9.079 -6.271 1.513) 11.138 7.637 ( 5.532 3.145 0.737) 6.406 7.931 ( 1.787 -4.326 -4.512) 6.501 8.167 ( 1.730 1.505 2.916) 3.709 9.032 ( -0.785 9.061 -14.446) 17.071 13.277 ( 6.600 -0.044 -0.000) 6.601 13.611 ( 1.826 15.516 12.490) 20.002 16.064 ( -6.915 -0.192 0.698) 6.953 16.096 ( -3.772 0.818 -1.329) 4.082 17.426 ( -0.481 -2.715 -2.087) 3.458 17.850 ( 3.465 -9.886 0.023) 10.476 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 20.619 14.856 -12.519) 28.330 1.215 ( 22.327 -2.354 16.694) 27.977 1.555 ( -1.919 19.321 18.133) 26.567 2.628 ( -5.947 -2.893 1.253) 6.731 2.672 ( -7.840 0.520 -0.832) 7.901 3.442 ( -2.819 -10.959 -2.948) 11.694 3.576 ( 2.317 -6.052 0.025) 6.480 4.017 ( 11.240 7.670 -1.923) 13.743 4.428 ( 0.429 -0.569 -0.066) 0.716 4.745 ( -3.322 4.058 0.127) 5.246 5.731 ( 3.729 2.487 -3.912) 5.949 6.166 ( 3.179 -3.830 12.126) 13.107 6.753 ( -3.214 -4.703 -1.499) 5.890 7.112 ( -10.314 -6.238 1.884) 12.200 7.752 ( 1.277 5.703 2.086) 6.206 7.913 ( 5.790 -6.158 -5.596) 10.137 8.229 ( 0.570 1.408 7.311) 7.467 8.974 ( -5.397 6.369 -11.402) 14.131 13.436 ( 11.803 0.037 0.072) 11.803 13.887 ( 1.174 17.713 14.318) 22.807 15.913 ( -9.091 -2.604 0.483) 9.469 16.003 ( -7.088 1.720 -2.650) 7.760 17.374 ( -0.202 -3.419 -2.592) 4.296 17.834 ( 5.616 -8.543 -1.972) 10.412 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 19.376 11.992 -10.637) 25.147 1.631 ( 18.146 -2.005 12.761) 22.274 1.750 ( -3.327 10.212 10.539) 15.047 2.541 ( -4.134 -3.079 5.301) 7.394 2.553 ( -7.295 4.604 -2.964) 9.122 3.194 ( -7.471 -10.450 -3.973) 13.447 3.635 ( 8.222 -5.983 2.326) 10.431 4.186 ( 5.067 -2.530 -2.804) 6.320 4.451 ( -0.034 8.205 -1.488) 8.339 4.770 ( 0.892 2.878 3.776) 4.831 5.784 ( 4.444 1.167 -7.837) 9.084 6.213 ( -0.468 -3.536 3.758) 5.181 6.687 ( 1.318 -3.999 2.829) 5.073 6.902 ( -9.734 -4.420 3.139) 11.142 7.811 ( 0.630 -0.156 4.170) 4.220 7.926 ( 4.434 -2.057 -6.976) 8.518 8.321 ( 1.405 3.473 10.131) 10.801 8.839 ( -8.889 4.933 -10.591) 14.681 13.663 ( 14.190 0.169 0.174) 14.192 14.145 ( -1.154 15.909 13.237) 20.727 15.735 ( -7.772 -3.123 -0.333) 8.383 15.863 ( -9.254 1.734 -2.585) 9.763 17.327 ( 0.274 -3.119 -2.322) 3.898 17.841 ( 5.796 -7.187 -2.677) 9.613 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 5.869 2.405 -3.940) 7.467 1.780 ( 6.089 4.698 -4.157) 8.742 1.937 ( 12.138 -2.048 8.981) 15.237 2.437 ( -6.392 -0.707 0.939) 6.500 2.508 ( -6.678 5.213 3.101) 9.021 2.996 ( -3.880 -5.446 -0.688) 6.723 3.742 ( 8.374 -4.237 1.580) 9.517 4.145 ( 2.811 -9.339 -5.183) 11.045 4.533 ( -3.123 10.881 0.841) 11.351 4.854 ( 2.270 1.510 4.307) 5.097 5.801 ( 5.168 -1.901 -11.908) 13.119 6.158 ( -3.287 -0.820 1.678) 3.781 6.695 ( 1.182 -7.150 -6.457) 9.707 6.786 ( -4.373 1.959 14.589) 15.356 7.842 ( 2.609 -4.915 6.194) 8.326 7.927 ( 2.379 0.026 -7.882) 8.233 8.462 ( 1.108 6.476 10.094) 12.044 8.651 ( -10.111 3.589 -8.887) 13.932 13.899 ( 12.345 0.143 0.695) 12.365 14.280 ( -5.543 8.491 7.361) 12.530 15.621 ( -3.860 1.140 1.615) 4.337 15.705 ( -8.902 1.134 -1.567) 9.109 17.298 ( 0.905 -2.193 -1.654) 2.892 17.854 ( 5.414 -5.853 -3.226) 8.600 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -4.315 -9.762 -7.491) 13.040 1.965 ( 4.212 -0.149 -2.703) 5.007 2.113 ( 5.984 -2.418 3.805) 7.492 2.338 ( -4.750 2.143 -2.047) 5.599 2.464 ( -5.092 5.708 4.163) 8.708 2.962 ( 1.342 1.628 1.568) 2.628 3.825 ( 4.341 -2.961 -0.916) 5.334 4.093 ( 6.387 -10.134 -4.566) 12.820 4.547 ( -6.555 7.891 1.618) 10.385 4.890 ( -1.685 -0.592 2.642) 3.189 5.799 ( 5.680 -3.020 -8.707) 10.825 6.139 ( -0.591 1.028 1.471) 1.889 6.587 ( -1.970 -1.374 -6.192) 6.641 6.862 ( 0.886 -0.637 10.978) 11.032 7.877 ( 0.899 -0.982 2.709) 3.019 7.928 ( 5.134 -3.534 -4.299) 7.571 8.398 ( -11.619 1.981 -6.923) 13.669 8.668 ( 2.350 7.303 9.961) 12.573 14.059 ( 4.394 -0.971 3.112) 5.471 14.204 ( -8.912 -0.205 -2.750) 9.329 15.589 ( -4.097 0.272 -0.307) 4.117 15.658 ( -0.222 7.656 5.871) 9.650 17.295 ( 1.665 -1.132 -0.952) 2.227 17.869 ( 4.856 -4.619 -3.888) 7.748 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -5.151 -15.336 -12.361) 20.360 1.862 ( -10.037 -9.931 7.919) 16.189 2.058 ( -10.110 2.956 -8.253) 13.381 2.350 ( 3.464 0.473 1.232) 3.707 2.543 ( 2.472 8.705 1.437) 9.163 3.077 ( 7.045 4.706 2.116) 8.732 3.813 ( 2.212 -6.867 -4.081) 8.289 4.077 ( 2.252 -5.173 -4.589) 7.272 4.529 ( -4.174 6.978 2.629) 8.545 4.821 ( -5.079 -3.629 1.483) 6.416 5.821 ( 2.777 -2.902 -0.257) 4.025 6.143 ( 0.998 -1.095 -4.125) 4.383 6.560 ( 1.697 4.471 -4.931) 6.869 6.929 ( 2.364 -2.418 7.543) 8.266 7.874 ( -2.414 6.003 -6.483) 9.159 7.986 ( 7.052 -6.801 3.636) 10.451 8.182 ( -9.253 -1.124 -4.707) 10.442 8.844 ( 2.464 6.592 10.300) 12.475 13.953 ( -10.450 -8.148 -1.629) 13.351 14.075 ( -5.856 1.613 -2.294) 6.493 15.587 ( 3.874 -0.481 0.664) 3.960 15.801 ( 0.748 10.364 7.772) 12.977 17.319 ( 2.365 -0.309 -0.441) 2.425 17.879 ( 4.239 -3.635 -4.684) 7.288 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -6.927 -17.458 -13.758) 23.282 1.583 ( -16.951 -12.610 13.534) 25.090 1.797 ( -16.868 5.319 -13.824) 22.449 2.430 ( 5.002 0.336 0.551) 5.043 2.684 ( 2.648 8.503 1.721) 9.071 3.298 ( 10.977 4.274 2.111) 11.967 3.727 ( 2.803 -11.884 -6.672) 13.914 4.008 ( -4.965 2.832 -3.753) 6.838 4.561 ( -4.381 5.819 0.100) 7.284 4.703 ( -2.084 -5.534 4.626) 7.508 5.817 ( -1.907 -2.799 5.502) 6.461 6.084 ( -0.716 -1.884 -11.041) 11.224 6.660 ( 5.476 5.644 -1.678) 8.041 7.005 ( 5.819 -2.821 4.369) 7.804 7.826 ( -7.464 8.321 -6.196) 12.781 8.028 ( 1.304 -5.085 -6.488) 8.346 8.065 ( 2.339 -3.799 6.855) 8.179 8.998 ( 2.048 4.566 9.309) 10.569 13.676 ( -9.543 -7.655 -5.013) 13.221 13.913 ( -13.086 0.404 0.700) 13.111 15.701 ( 8.856 -0.944 1.317) 9.003 15.958 ( 0.345 9.656 7.086) 11.982 17.360 ( 2.752 0.109 -0.197) 2.761 17.883 ( 3.611 -2.955 -5.448) 7.173 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -9.445 -12.565 -9.198) 18.213 1.223 ( -21.115 -13.491 16.929) 30.240 1.425 ( -22.258 6.359 -17.570) 29.061 2.545 ( 7.530 1.267 0.541) 7.655 2.819 ( 2.757 7.015 1.990) 7.796 3.459 ( 4.867 -6.800 -2.646) 8.771 3.668 ( 6.584 -2.421 -4.232) 8.193 3.928 ( -8.140 5.225 -0.766) 9.703 4.441 ( -6.206 -2.720 -0.791) 6.822 4.763 ( 3.843 1.621 5.226) 6.686 5.778 ( -4.417 -1.534 7.511) 8.848 5.950 ( -4.063 -1.535 -13.589) 14.266 6.793 ( 5.381 2.587 -0.440) 5.986 7.136 ( 9.881 -1.837 2.197) 10.288 7.722 ( -8.295 4.718 -2.192) 9.792 7.996 ( 2.170 -0.342 -5.310) 5.747 8.107 ( 2.465 -3.862 3.647) 5.856 9.114 ( 1.598 2.322 7.275) 7.802 13.442 ( -7.462 -4.439 -3.704) 9.439 13.678 ( -14.830 -0.215 1.536) 14.911 15.859 ( 9.340 -1.147 1.648) 9.553 16.078 ( -0.233 6.748 4.732) 8.245 17.407 ( 2.638 0.171 -0.133) 2.647 17.878 ( 2.925 -2.225 -5.533) 6.642 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -11.864 9.614 9.669) 18.074 0.822 ( -23.502 -13.333 18.966) 33.013 0.962 ( -26.458 7.465 -19.184) 33.522 2.714 ( 9.769 2.111 0.436) 10.004 2.909 ( 3.490 -2.537 -2.440) 4.957 3.404 ( 0.723 -1.204 -0.764) 1.599 3.751 ( -3.133 7.764 -5.028) 9.766 3.794 ( -6.252 -5.595 4.272) 9.415 4.393 ( 2.865 -0.875 1.389) 3.302 4.869 ( 4.383 0.508 0.296) 4.422 5.735 ( -7.715 0.313 6.035) 9.800 5.773 ( -3.858 -0.299 -6.809) 7.832 6.881 ( 3.957 0.037 -0.436) 3.981 7.311 ( 10.735 -1.357 0.877) 10.856 7.626 ( -5.409 0.789 0.271) 5.473 8.005 ( -0.280 2.441 -2.748) 3.686 8.123 ( 1.791 -2.090 1.380) 3.079 9.182 ( 1.303 0.025 1.483) 1.974 13.304 ( -4.922 0.563 -0.394) 4.969 13.448 ( -12.354 -0.631 1.734) 12.491 16.001 ( 7.183 -0.915 1.314) 7.359 16.130 ( -0.416 1.066 0.458) 1.233 17.447 ( 1.975 -0.006 -0.145) 1.981 17.879 ( 2.077 -0.082 -2.511) 3.260 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -18.213 -0.666 11.424) 21.509 0.516 ( -19.541 9.119 -3.454) 21.839 1.358 ( -4.335 24.111 21.456) 32.565 2.749 ( 10.756 -4.467 2.032) 11.823 2.896 ( 5.722 0.622 -2.395) 6.234 3.484 ( -7.298 -6.473 6.228) 11.574 3.677 ( -12.841 7.312 -7.433) 16.541 3.799 ( 5.102 -0.656 -0.359) 5.156 4.403 ( -1.839 -4.435 2.657) 5.488 4.767 ( 4.603 4.452 -6.400) 9.054 5.628 ( -2.236 1.434 -2.662) 3.761 6.143 ( 1.471 -7.095 22.974) 24.090 6.877 ( 1.829 -2.678 -0.618) 3.302 7.301 ( 6.591 -7.492 -0.155) 9.980 7.634 ( -4.169 4.196 1.262) 6.048 8.006 ( -0.302 0.936 -2.181) 2.392 8.127 ( -2.822 -3.936 1.016) 4.948 8.989 ( 1.608 8.655 -15.620) 17.930 13.281 ( -6.979 -0.174 0.108) 6.982 13.570 ( -0.746 14.359 11.480) 18.399 16.016 ( 7.214 -1.690 -0.962) 7.472 16.096 ( 3.843 0.585 -0.718) 3.953 17.433 ( 0.441 -2.107 -1.672) 2.726 17.916 ( -4.296 -7.846 1.336) 9.044 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 4.440 12.062 -0.519) 12.864 0.533 ( 9.600 4.353 13.417) 17.063 1.649 ( -3.117 21.583 19.378) 29.173 2.838 ( 1.145 -5.095 1.921) 5.564 2.898 ( -2.584 -4.751 0.817) 5.470 3.446 ( 0.673 -0.017 -0.666) 0.947 3.504 ( -4.796 6.099 -4.163) 8.805 3.786 ( 0.500 -6.214 -3.702) 7.251 4.381 ( 1.110 -1.235 1.508) 2.244 4.846 ( 0.604 5.421 -1.780) 5.737 5.612 ( 2.229 -1.064 -3.655) 4.411 6.155 ( -2.204 -10.822 16.651) 19.981 6.835 ( -1.347 -4.906 -1.664) 5.353 7.396 ( 5.536 -3.051 4.612) 7.825 7.557 ( -4.268 1.014 -0.458) 4.411 7.906 ( -3.978 -2.994 -4.389) 6.638 8.173 ( 3.180 5.114 1.280) 6.156 9.046 ( 1.721 9.203 -9.997) 13.697 13.220 ( -0.060 0.116 -0.099) 0.164 13.833 ( 1.977 18.762 15.257) 24.263 16.116 ( 2.693 -0.399 0.863) 2.856 16.132 ( 0.282 1.165 -1.228) 1.716 17.379 ( -1.028 -4.804 -3.624) 6.104 17.730 ( -3.279 -10.894 -1.435) 11.467 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 16.350 15.400 -9.437) 24.363 0.925 ( 20.547 -1.348 17.099) 26.765 1.883 ( -4.043 15.314 14.526) 21.491 2.737 ( -7.074 -5.038 6.642) 10.933 2.799 ( -5.247 1.466 -3.279) 6.358 3.367 ( -3.716 -4.024 -4.111) 6.848 3.499 ( -0.310 -6.596 -1.966) 6.890 3.833 ( 12.591 0.767 -2.543) 12.868 4.411 ( 1.174 2.426 -1.419) 3.046 4.863 ( -3.656 4.075 2.005) 5.831 5.624 ( 5.049 -3.996 -5.828) 8.685 6.141 ( 1.589 -6.486 10.817) 12.712 6.727 ( -2.683 -6.613 -3.129) 7.793 7.310 ( -12.543 -0.236 6.287) 14.032 7.653 ( 10.734 -2.156 -2.584) 11.249 7.827 ( -1.250 0.855 -1.841) 2.384 8.279 ( 1.560 4.519 4.761) 6.747 9.065 ( -3.078 7.498 -7.447) 11.007 13.279 ( 6.636 0.213 0.095) 6.640 14.160 ( 1.006 20.995 17.048) 27.063 16.079 ( -8.470 0.528 0.888) 8.532 16.097 ( -3.815 0.665 -0.711) 3.937 17.283 ( 1.537 -7.668 -5.600) 9.619 17.625 ( 3.987 -9.838 -3.292) 11.114 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 18.190 12.435 -9.647) 24.053 1.360 ( 20.654 -2.055 13.712) 24.876 1.950 ( -6.361 3.252 4.851) 8.635 2.647 ( -5.685 -2.317 7.660) 9.817 2.727 ( -6.108 8.852 -1.034) 10.805 3.162 ( -5.879 -10.708 -5.150) 13.257 3.482 ( 4.679 -4.710 1.606) 6.830 4.016 ( 8.789 -4.138 -2.989) 10.164 4.472 ( 3.740 7.711 -3.825) 9.385 4.852 ( -3.169 2.315 4.953) 6.319 5.621 ( 5.581 -5.956 -9.354) 12.415 6.201 ( 2.558 -2.171 7.089) 7.843 6.597 ( -0.768 -7.887 -3.805) 8.791 7.138 ( -12.859 1.467 8.249) 15.347 7.716 ( 5.451 -6.575 -4.321) 9.571 7.870 ( 1.615 4.847 -0.398) 5.125 8.390 ( 1.920 4.479 8.831) 10.086 8.996 ( -7.958 6.768 -6.687) 12.404 13.442 ( 11.806 0.284 0.365) 11.815 14.453 ( -3.170 19.618 16.048) 25.543 15.896 ( -12.039 -0.408 1.588) 12.150 16.006 ( -7.140 1.457 -1.848) 7.518 17.230 ( 3.906 -6.521 -4.698) 8.936 17.606 ( 7.510 -9.739 -4.975) 13.267 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 17.293 7.927 -8.388) 20.791 1.722 ( 14.118 -2.576 7.812) 16.339 1.821 ( -4.602 -5.747 -2.696) 7.841 2.552 ( -6.850 -1.655 3.530) 7.882 2.741 ( -8.031 11.058 4.246) 14.311 2.976 ( -1.589 -6.659 -1.027) 6.923 3.561 ( 8.178 -3.600 1.011) 8.993 3.988 ( 1.179 -9.869 -5.170) 11.203 4.632 ( 3.928 10.296 -1.938) 11.189 4.876 ( 0.245 0.672 6.691) 6.729 5.583 ( 5.677 -6.180 -13.177) 15.622 6.223 ( -2.689 -0.527 3.848) 4.724 6.532 ( 4.331 -6.914 -3.754) 8.981 7.020 ( -9.938 2.522 10.490) 14.669 7.714 ( 4.880 -6.966 -1.739) 8.681 7.909 ( -0.494 3.011 -2.346) 3.849 8.544 ( 3.166 5.373 9.923) 11.720 8.853 ( -11.619 6.397 -5.838) 14.492 13.673 ( 14.205 0.215 0.783) 14.228 14.578 ( -10.974 11.530 9.850) 18.719 15.756 ( -6.705 4.032 4.016) 8.794 15.867 ( -9.335 1.262 -1.441) 9.529 17.220 ( 3.492 -3.983 -2.793) 5.988 17.619 ( 9.130 -9.532 -6.136) 14.556 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -6.321 -11.403 -8.486) 15.556 1.790 ( 13.325 4.011 -7.669) 15.889 1.982 ( 9.683 -3.411 6.486) 12.144 2.441 ( -6.405 -0.402 1.527) 6.597 2.684 ( -9.052 5.331 3.977) 11.232 2.975 ( 0.677 3.364 1.691) 3.825 3.672 ( 7.511 -4.696 -1.226) 8.943 3.882 ( 3.640 -9.116 -4.374) 10.747 4.711 ( -3.389 6.733 -0.405) 7.549 4.932 ( -0.410 -0.373 5.688) 5.715 5.574 ( 9.011 -2.995 -11.667) 15.043 6.176 ( -2.620 -2.052 1.863) 3.814 6.528 ( 2.625 -1.711 -4.320) 5.337 6.970 ( -5.831 0.374 9.888) 11.485 7.733 ( 6.375 -7.219 0.095) 9.631 7.905 ( -0.858 2.774 -2.761) 4.007 8.610 ( -10.786 3.728 -2.558) 11.695 8.763 ( 0.200 7.137 6.939) 9.956 13.914 ( 12.518 -0.133 1.593) 12.619 14.428 ( -16.533 1.292 1.184) 16.625 15.710 ( -9.063 0.683 -0.587) 9.107 15.808 ( -1.452 10.615 8.132) 13.451 17.232 ( 2.954 -2.074 -1.570) 3.936 17.649 ( 9.294 -8.436 -6.514) 14.141 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -7.843 -11.602 -9.029) 16.663 1.899 ( 0.896 -4.086 -0.210) 4.188 2.092 ( 3.814 -2.302 0.658) 4.503 2.363 ( -3.533 2.441 -1.486) 4.544 2.649 ( -3.954 7.006 3.571) 8.802 3.047 ( 2.754 4.154 1.318) 5.155 3.632 ( 2.092 -12.466 -5.132) 13.642 3.948 ( 8.444 0.304 -1.959) 8.673 4.683 ( -5.198 4.898 0.106) 7.143 4.891 ( -5.115 -2.753 2.666) 6.391 5.684 ( 9.840 -0.254 -3.373) 10.405 6.120 ( -1.840 -3.036 -0.314) 3.564 6.545 ( 1.944 3.431 -4.145) 5.721 6.933 ( -2.639 -3.388 6.060) 7.428 7.784 ( 7.451 -6.341 -1.175) 9.855 7.918 ( 0.349 3.675 -1.071) 3.844 8.392 ( -14.595 2.923 -2.538) 15.100 8.913 ( 3.062 5.056 7.421) 9.487 14.081 ( 4.235 -2.597 6.009) 7.797 14.122 ( -15.532 -0.961 -6.568) 16.891 15.591 ( -4.344 0.111 0.017) 4.345 15.961 ( -0.497 11.550 8.614) 14.417 17.259 ( 3.074 -1.105 -1.181) 3.474 17.687 ( 8.236 -6.468 -6.150) 12.145 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -9.992 -5.657 -3.933) 12.137 1.773 ( -9.594 -9.580 9.105) 16.332 2.014 ( -10.521 3.803 -9.312) 14.556 2.371 ( 2.645 0.867 -0.041) 2.783 2.723 ( 1.731 6.274 1.581) 6.698 3.186 ( 8.591 3.466 0.867) 9.304 3.497 ( 1.562 -13.074 -6.148) 14.532 4.062 ( 2.777 4.931 -2.581) 6.219 4.674 ( -1.252 5.038 0.935) 5.275 4.750 ( -8.313 -5.519 2.076) 10.192 5.816 ( 5.023 -0.113 3.742) 6.264 6.044 ( -2.944 -2.246 -2.963) 4.742 6.615 ( 4.124 4.569 -3.382) 7.023 6.906 ( 2.062 -4.668 1.917) 5.452 7.837 ( 6.684 -4.309 -3.903) 8.858 7.966 ( 0.168 4.527 -0.562) 4.565 8.171 ( -12.300 0.719 1.855) 12.460 9.040 ( 2.879 2.522 5.015) 6.309 13.806 ( -14.214 -2.869 -2.739) 14.757 14.090 ( -5.630 -0.710 2.546) 6.219 15.586 ( 3.735 -0.426 0.553) 3.800 16.096 ( -0.790 8.186 5.869) 10.103 17.300 ( 3.496 -0.636 -1.122) 3.727 17.726 ( 6.389 -3.769 -5.004) 8.948 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -11.407 7.967 7.543) 15.827 1.523 ( -16.270 -11.473 15.214) 25.056 1.738 ( -18.601 6.861 -14.883) 24.790 2.450 ( 5.512 1.249 0.173) 5.655 2.798 ( 2.574 -0.655 -1.407) 3.006 3.381 ( 0.251 0.126 0.754) 0.804 3.409 ( 14.037 -3.989 -4.897) 15.392 4.102 ( -3.697 7.158 -1.089) 8.130 4.541 ( -9.661 -6.648 1.992) 11.895 4.739 ( 2.633 3.186 0.374) 4.150 5.888 ( -0.747 0.508 7.948) 7.999 5.940 ( -4.700 -0.826 -4.691) 6.691 6.710 ( 5.373 0.733 -2.136) 5.828 6.959 ( 7.923 -1.859 -0.876) 8.185 7.846 ( -0.208 -6.903 -1.509) 7.069 7.964 ( -3.823 11.399 -6.335) 13.590 8.082 ( -0.479 -3.267 7.358) 8.065 9.117 ( 2.555 -0.358 1.504) 2.986 13.568 ( -10.865 0.624 -0.951) 10.924 13.930 ( -13.183 -1.264 3.098) 13.601 15.699 ( 8.857 -0.767 1.026) 8.949 16.153 ( -0.941 1.788 0.838) 2.187 17.351 ( 3.574 -0.138 -0.783) 3.661 17.772 ( 4.432 -0.306 -2.684) 5.190 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -9.705 20.437 17.626) 28.679 1.196 ( -20.839 -11.649 18.637) 30.287 1.354 ( -23.448 8.536 -17.016) 30.203 2.586 ( 8.152 2.261 0.149) 8.461 2.757 ( 1.833 -9.720 -5.663) 11.397 3.431 ( 3.578 6.694 2.598) 8.022 3.608 ( 10.618 -1.076 -2.390) 10.937 4.027 ( -12.136 2.381 1.624) 12.473 4.392 ( -2.353 -2.030 2.842) 4.212 4.793 ( 2.335 -0.310 -3.774) 4.448 5.813 ( -5.689 0.355 -5.857) 8.173 5.922 ( -4.018 2.658 13.279) 14.126 6.784 ( 5.685 -1.993 -1.546) 6.220 7.110 ( 10.909 -0.253 -1.621) 11.031 7.717 ( -5.758 -4.399 1.502) 7.401 8.020 ( 0.796 7.870 -5.693) 9.746 8.100 ( 0.951 -2.288 6.492) 6.949 9.130 ( 1.690 -2.972 -4.540) 5.683 13.445 ( -7.410 5.399 2.057) 9.396 13.689 ( -14.975 -1.664 3.145) 15.392 15.857 ( 9.365 -0.740 1.077) 9.455 16.107 ( -0.845 -5.258 -4.680) 7.090 17.403 ( 2.893 -0.023 -0.423) 2.924 17.846 ( 3.314 3.166 1.157) 4.727 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -21.009 -3.478 12.180) 24.532 0.939 ( -22.492 8.843 -6.522) 25.033 1.752 ( -3.011 18.911 16.847) 25.505 2.564 ( 7.617 -3.192 1.188) 8.344 2.782 ( 7.290 1.514 -1.237) 7.548 3.470 ( 3.880 -9.517 -2.099) 10.490 3.750 ( -4.777 -4.495 5.090) 8.302 3.888 ( -6.047 8.461 -5.532) 11.780 4.489 ( -7.161 0.634 4.621) 8.546 4.668 ( 6.805 2.799 -4.056) 8.402 5.653 ( -4.418 -1.459 -6.238) 7.782 6.204 ( -1.082 -4.130 12.253) 12.976 6.805 ( 3.977 -1.729 1.482) 4.583 7.118 ( 6.919 -6.041 0.154) 9.187 7.780 ( -3.298 9.054 4.179) 10.503 7.984 ( -0.053 -1.477 -4.925) 5.142 8.140 ( -2.468 -6.291 4.872) 8.331 8.923 ( 4.281 5.546 -11.975) 13.875 13.446 ( -12.312 -0.245 0.094) 12.314 13.818 ( -1.710 15.642 12.796) 20.281 15.855 ( 7.128 -3.554 -2.167) 8.255 16.004 ( 7.142 0.637 -0.447) 7.184 17.389 ( 0.730 -2.350 -2.046) 3.201 17.919 ( -3.541 -5.788 -0.846) 6.838 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -12.175 3.900 8.155) 15.164 0.695 ( -12.892 8.774 2.970) 15.874 1.984 ( -1.715 15.841 14.590) 21.604 2.693 ( 8.766 -4.275 2.350) 10.032 2.864 ( 2.326 -1.433 -1.591) 3.162 3.409 ( 1.412 -4.424 -0.738) 4.702 3.642 ( -2.271 -7.835 1.305) 8.261 3.772 ( -11.801 5.203 -9.132) 15.803 4.421 ( -3.482 2.104 4.170) 5.826 4.832 ( 6.514 5.630 -0.018) 8.610 5.524 ( -1.000 -6.296 -8.097) 10.305 6.173 ( -2.097 -9.595 10.070) 14.067 6.796 ( -0.907 -5.227 -0.739) 5.357 7.248 ( 10.052 -0.016 4.098) 10.855 7.745 ( -10.298 4.155 3.141) 11.540 7.900 ( -2.736 -5.201 -3.465) 6.822 8.170 ( 4.287 5.619 1.328) 7.192 9.021 ( 4.893 7.709 -6.683) 11.315 13.280 ( -6.832 0.110 -0.020) 6.833 14.091 ( 2.099 20.211 16.468) 26.155 15.988 ( 10.244 -1.113 0.694) 10.328 16.101 ( 3.782 1.338 -1.431) 4.260 17.333 ( -1.694 -4.810 -3.863) 6.398 17.711 ( -7.771 -10.926 -3.492) 13.855 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 4.014 11.041 0.183) 11.749 0.770 ( 7.634 4.104 11.358) 14.287 2.141 ( -3.563 7.621 8.379) 11.873 2.773 ( 4.234 -3.775 1.719) 5.927 2.815 ( -3.107 -3.923 2.138) 5.442 3.434 ( 0.452 0.186 -1.502) 1.579 3.511 ( -14.175 -0.791 -7.323) 15.975 3.604 ( 8.638 -4.027 -1.168) 9.602 4.441 ( -1.049 4.479 1.075) 4.724 4.949 ( -0.111 4.351 1.845) 4.728 5.416 ( 4.978 -10.692 -8.402) 14.481 6.122 ( 0.198 -6.729 8.535) 10.870 6.691 ( -3.003 -6.676 -2.741) 7.816 7.448 ( 9.074 0.727 1.564) 9.236 7.596 ( -12.799 1.760 4.938) 13.831 7.827 ( 0.389 -0.401 -2.026) 2.102 8.317 ( 3.287 6.909 2.651) 8.097 9.117 ( 1.189 6.752 -3.914) 7.895 13.224 ( 0.026 0.311 0.033) 0.314 14.458 ( 2.521 22.785 18.653) 29.554 16.123 ( 2.805 -0.728 2.077) 3.566 16.144 ( 1.506 2.107 -2.027) 3.289 17.162 ( -4.598 -10.517 -7.232) 13.566 17.496 ( -1.646 -9.363 -3.905) 10.277 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 13.117 12.309 -6.826) 19.239 1.090 ( 17.617 -1.149 13.377) 22.150 2.068 ( -7.314 -6.038 -2.469) 9.801 2.750 ( -3.933 -1.799 3.935) 5.847 2.837 ( 2.239 3.372 3.966) 5.666 3.222 ( -12.923 -3.404 -2.725) 13.639 3.410 ( 0.155 -0.809 -0.490) 0.958 3.779 ( 12.491 -2.429 -3.158) 13.112 4.475 ( 0.640 5.852 -2.579) 6.428 4.942 ( -2.899 -0.889 2.816) 4.138 5.383 ( 6.987 -8.590 -7.457) 13.349 6.171 ( 4.098 -1.383 7.371) 8.546 6.537 ( -3.981 -7.619 -4.342) 9.630 7.427 ( -12.682 1.354 6.388) 14.264 7.551 ( 4.777 -2.267 -2.330) 5.778 7.876 ( 2.865 3.875 -0.887) 4.900 8.448 ( 2.338 5.259 6.234) 8.485 9.135 ( -4.060 6.223 -3.130) 8.063 13.287 ( 6.745 0.380 0.192) 6.759 14.809 ( -1.834 22.043 18.119) 28.593 16.100 ( -6.144 4.350 -5.726) 9.458 16.109 ( -6.891 -2.632 6.367) 9.744 16.999 ( 6.206 -11.681 -7.991) 15.454 17.398 ( 2.581 -8.479 -4.999) 10.176 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 15.098 7.924 -7.279) 18.540 1.462 ( 18.759 -2.178 8.935) 20.892 1.811 ( -7.137 -11.559 -8.057) 15.794 2.668 ( -6.071 -1.463 2.673) 6.793 2.928 ( 0.640 -2.390 0.465) 2.518 3.020 ( -9.080 7.336 5.474) 12.893 3.437 ( 3.626 -0.344 -0.353) 3.660 3.839 ( 2.915 -7.837 -4.497) 9.494 4.600 ( 7.703 8.222 -1.881) 11.423 4.911 ( -0.293 -3.341 4.093) 5.291 5.362 ( 4.315 -5.568 -8.767) 11.246 6.275 ( 0.116 0.332 5.403) 5.414 6.388 ( 1.421 -6.495 -4.430) 7.989 7.279 ( -11.143 1.304 7.064) 13.257 7.573 ( 3.379 -3.373 -2.202) 5.258 7.935 ( 0.281 3.653 -2.244) 4.296 8.586 ( 3.475 3.688 7.953) 9.431 9.065 ( -8.840 5.990 -2.805) 11.040 13.453 ( 11.924 0.312 0.407) 11.935 14.973 ( -12.738 13.557 11.636) 21.941 15.959 ( -8.608 5.140 3.133) 10.504 16.015 ( -7.259 0.462 0.232) 7.277 17.030 ( 11.160 -7.194 -4.668) 14.074 17.343 ( 5.584 -9.337 -6.744) 12.801 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 2.461 -6.426 -6.380) 9.384 1.564 ( 6.393 -0.071 -9.657) 11.581 1.784 ( 14.123 -3.485 5.681) 15.616 2.560 ( -6.742 -1.087 2.429) 7.248 2.828 ( -3.928 -3.019 1.556) 5.193 3.093 ( -3.961 11.768 4.360) 13.160 3.500 ( 5.660 -3.626 -2.080) 7.036 3.743 ( 0.768 -7.176 -3.297) 7.934 4.777 ( 2.205 5.544 -0.900) 6.033 4.940 ( 3.665 -2.685 6.928) 8.285 5.336 ( 6.118 -2.136 -10.740) 12.544 6.191 ( -2.908 -5.601 -0.534) 6.334 6.451 ( 4.369 1.836 0.116) 4.741 7.156 ( -9.226 0.090 6.019) 11.016 7.586 ( 3.738 -3.858 -0.733) 5.422 7.939 ( -1.352 3.091 -2.243) 4.051 8.713 ( 1.904 1.712 5.055) 5.666 8.938 ( -9.887 5.604 -0.771) 11.391 13.686 ( 14.361 0.031 0.787) 14.383 14.780 ( -21.289 1.876 2.194) 21.484 15.876 ( -9.431 0.745 -0.445) 9.471 16.001 ( -2.241 11.029 8.667) 14.205 17.129 ( 6.795 -2.191 -1.135) 7.229 17.334 ( 10.418 -9.840 -7.926) 16.376 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -7.130 -4.348 -3.465) 9.042 1.749 ( 11.471 1.048 -6.468) 13.210 1.960 ( 8.423 -5.151 3.853) 10.598 2.462 ( -5.777 1.311 0.424) 5.939 2.782 ( -2.188 0.858 3.195) 3.967 3.109 ( -5.431 5.212 -0.321) 7.534 3.477 ( 1.365 -8.129 -2.234) 8.540 3.792 ( 8.868 1.907 -1.360) 9.172 4.783 ( -2.906 1.769 -0.866) 3.511 4.958 ( -3.331 -3.236 3.564) 5.854 5.464 ( 13.517 1.791 -4.015) 14.214 6.111 ( -0.862 -4.509 0.484) 4.616 6.525 ( 1.859 3.877 -1.683) 4.617 7.030 ( -7.931 -2.096 2.971) 8.725 7.619 ( 4.959 -4.142 0.098) 6.462 7.944 ( -0.239 3.612 -1.213) 3.817 8.645 ( -12.044 2.160 -1.050) 12.282 8.930 ( 2.150 1.748 3.700) 4.622 13.928 ( 12.778 -0.357 1.215) 12.841 14.408 ( -21.097 -1.909 -1.080) 21.211 15.716 ( -9.259 0.276 0.044) 9.264 16.129 ( -1.200 9.022 6.642) 11.268 17.185 ( 3.246 -1.317 -1.362) 3.758 17.418 ( 12.084 -5.257 -4.667) 13.980 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -8.588 6.575 5.250) 12.023 1.818 ( 0.329 -4.290 0.683) 4.356 2.048 ( 4.220 -1.896 -0.817) 4.698 2.389 ( -4.116 2.754 -2.725) 5.653 2.794 ( -2.162 2.905 3.705) 5.181 3.049 ( 2.997 -6.044 -5.265) 8.557 3.422 ( -1.826 -0.302 1.229) 2.221 3.983 ( 9.375 5.159 -2.607) 11.014 4.737 ( -3.213 0.039 0.393) 3.237 4.852 ( -6.012 -2.862 0.761) 6.702 5.697 ( 11.124 1.334 2.613) 11.504 6.069 ( -1.375 -2.437 2.007) 3.443 6.580 ( 1.796 3.762 -2.603) 4.914 6.898 ( -4.705 -2.325 -1.349) 5.418 7.671 ( 5.732 -3.894 -0.132) 6.931 7.986 ( 1.156 3.838 -0.414) 4.030 8.429 ( -14.246 1.850 0.223) 14.368 9.004 ( 4.017 -1.738 1.113) 4.516 14.048 ( -15.539 2.956 -7.651) 17.571 14.101 ( 3.366 -4.811 8.960) 10.713 15.593 ( -4.590 -0.018 0.164) 4.593 16.190 ( -1.165 2.043 0.934) 2.530 17.223 ( 3.688 -0.548 -1.265) 3.937 17.556 ( 8.758 0.161 -0.894) 8.805 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -8.900 16.065 13.185) 22.608 1.716 ( -8.301 -7.601 8.932) 14.369 1.980 ( -10.623 4.560 -9.559) 15.001 2.383 ( 3.023 0.642 -0.353) 3.111 2.753 ( -2.696 -5.147 -1.366) 5.969 3.094 ( 12.565 -5.320 -4.794) 14.463 3.447 ( -0.819 7.456 3.718) 8.371 4.147 ( 4.754 6.426 -2.749) 8.452 4.630 ( -7.186 -8.733 3.780) 11.925 4.773 ( -2.587 4.319 -2.185) 5.488 5.867 ( 4.944 -0.140 3.472) 6.043 6.039 ( -2.898 0.399 5.370) 6.115 6.617 ( 2.444 -1.660 -1.017) 3.125 6.851 ( 2.641 2.491 -5.881) 6.911 7.728 ( 4.751 -3.759 0.507) 6.080 8.037 ( 0.760 3.738 -1.859) 4.243 8.231 ( -11.320 1.467 3.331) 11.891 9.036 ( 3.817 -4.484 -2.623) 6.446 13.795 ( -13.349 3.778 -0.423) 13.880 14.102 ( -5.539 -2.577 4.637) 7.670 15.585 ( 3.613 -0.225 0.329) 3.635 16.139 ( -0.996 -5.535 -5.224) 7.676 17.284 ( 3.819 0.677 -0.258) 3.887 17.700 ( 5.625 3.818 1.627) 6.991 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -7.782 20.239 16.256) 27.100 1.506 ( -15.073 -9.365 14.955) 23.207 1.704 ( -19.126 7.803 -13.595) 24.729 2.480 ( 6.771 1.065 0.702) 6.890 2.624 ( -0.897 -9.040 -4.477) 10.127 3.262 ( 13.794 -3.244 -3.101) 14.506 3.575 ( 2.058 10.307 3.801) 11.177 4.212 ( -4.327 3.047 0.653) 5.332 4.439 ( -5.302 -5.343 2.218) 7.847 4.765 ( -1.289 1.666 -2.971) 3.641 5.874 ( -3.509 0.224 -2.049) 4.070 6.076 ( -1.364 2.391 11.784) 12.102 6.642 ( 5.439 -4.447 -0.291) 7.032 6.943 ( 7.580 3.576 -6.027) 10.323 7.741 ( -0.532 -3.718 3.272) 4.981 8.052 ( -0.627 4.317 -5.580) 7.083 8.150 ( -3.356 0.608 7.313) 8.070 9.011 ( 2.906 -5.905 -7.501) 9.979 13.671 ( -9.082 8.330 2.611) 12.597 13.937 ( -13.195 -2.751 4.583) 14.236 15.698 ( 8.837 -0.355 0.664) 8.869 16.002 ( -0.502 -9.678 -8.552) 12.924 17.350 ( 3.140 0.446 -0.157) 3.176 17.839 ( 3.786 4.984 3.028) 6.953 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -18.434 -5.218 13.268) 23.304 1.351 ( -20.897 9.155 -8.778) 24.445 2.029 ( -1.496 12.237 10.815) 16.400 2.438 ( 5.196 -1.967 0.744) 5.605 2.665 ( 7.880 1.514 -0.191) 8.026 3.240 ( 8.466 -7.710 -4.066) 12.151 3.833 ( -4.767 -4.443 4.610) 7.983 4.022 ( -7.004 2.096 -2.624) 7.768 4.548 ( 7.962 5.181 -1.254) 9.582 4.679 ( -8.483 1.649 2.467) 8.987 5.684 ( -7.225 -2.845 -8.344) 11.398 6.216 ( 0.390 -4.858 2.891) 5.667 6.748 ( 4.093 -0.699 7.599) 8.660 6.955 ( 6.554 -3.423 -1.000) 7.461 7.900 ( 2.076 0.967 -3.221) 3.953 7.984 ( -3.013 6.951 3.302) 8.265 8.162 ( -4.395 -6.606 7.173) 10.696 8.809 ( 6.813 4.481 -10.254) 13.101 13.678 ( -14.634 0.033 -0.285) 14.637 14.064 ( -0.682 13.416 11.668) 17.793 15.697 ( 5.710 -2.819 -1.666) 6.582 15.867 ( 9.325 0.626 -0.147) 9.347 17.342 ( 0.533 -2.248 -2.113) 3.132 17.911 ( -2.917 -5.095 -2.207) 6.272 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -17.668 1.798 6.458) 18.897 1.072 ( -18.616 7.267 1.885) 20.073 2.168 ( 0.866 5.550 6.200) 8.366 2.553 ( 6.631 0.282 3.862) 7.679 2.785 ( 5.013 0.400 -1.480) 5.242 3.252 ( 6.280 -6.779 -5.443) 10.725 3.663 ( -7.702 -10.425 6.770) 14.623 3.938 ( -6.298 5.457 -9.517) 12.650 4.578 ( -7.710 3.069 4.691) 9.533 4.754 ( 9.146 6.559 1.073) 11.306 5.452 ( -6.544 -8.438 -10.445) 14.937 6.161 ( -1.395 -7.771 4.248) 8.965 6.760 ( -0.976 -5.113 0.644) 5.244 7.114 ( 10.141 1.639 4.776) 11.329 7.829 ( -0.421 -5.193 -5.695) 7.719 8.011 ( -10.379 1.328 7.371) 12.799 8.166 ( 4.419 8.684 2.375) 10.029 8.948 ( 7.754 6.510 -4.864) 11.232 13.445 ( -12.139 0.169 -0.046) 12.140 14.331 ( 4.198 17.946 14.902) 23.701 15.813 ( 9.002 0.257 0.970) 9.058 16.014 ( 7.073 0.987 -0.611) 7.167 17.291 ( -1.108 -3.967 -3.501) 5.406 17.714 ( -7.914 -10.762 -5.321) 14.379 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -8.228 5.031 7.103) 11.977 0.910 ( -10.326 8.264 4.096) 13.846 2.202 ( 0.351 -6.202 -2.200) 6.590 2.692 ( 4.883 1.749 5.445) 7.520 2.811 ( 0.729 -1.818 -0.139) 1.964 3.323 ( 10.236 0.823 -5.548) 11.672 3.483 ( -5.708 -11.024 6.118) 13.840 3.768 ( -12.517 5.673 -9.216) 16.547 4.545 ( -4.114 4.550 3.178) 6.909 4.972 ( 5.813 6.564 2.820) 9.211 5.191 ( -1.809 -14.509 -9.818) 17.612 6.103 ( -0.138 -5.989 5.508) 8.138 6.666 ( -2.998 -5.942 -1.877) 6.915 7.321 ( 8.350 1.943 1.604) 8.722 7.767 ( 1.030 -1.303 -4.386) 4.690 7.874 ( -10.571 -0.714 8.389) 13.514 8.348 ( 3.559 10.156 1.527) 10.869 9.107 ( 5.353 5.881 -1.402) 8.075 13.285 ( -6.729 0.349 0.052) 6.738 14.722 ( 6.403 21.482 17.894) 28.683 15.992 ( 10.082 0.270 1.724) 10.232 16.112 ( 3.719 1.590 -1.629) 4.360 17.147 ( -7.757 -8.058 -5.893) 12.643 17.427 ( -5.597 -11.486 -6.114) 14.165 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 2.753 8.162 0.787) 8.649 0.964 ( 4.896 3.283 7.898) 9.856 2.019 ( -3.699 -15.325 -9.470) 18.390 2.776 ( 0.723 -1.494 2.653) 3.130 2.855 ( 2.198 4.502 3.782) 6.277 3.319 ( -4.852 -11.448 5.881) 13.755 3.504 ( 4.690 8.452 -6.391) 11.588 3.580 ( -4.594 2.769 -3.656) 6.491 4.536 ( -3.129 4.637 -1.841) 5.889 4.930 ( -1.581 -12.205 -1.366) 12.382 5.183 ( 6.806 0.853 -1.373) 6.995 6.129 ( 3.720 -1.701 5.944) 7.216 6.521 ( -4.863 -6.311 -3.704) 8.786 7.424 ( 3.667 -1.442 -1.817) 4.340 7.706 ( -9.680 2.052 3.324) 10.438 7.840 ( 3.320 1.416 1.737) 4.005 8.494 ( 2.309 6.672 3.159) 7.735 9.210 ( 0.686 5.202 -0.370) 5.260 13.232 ( 0.085 0.366 0.126) 0.397 15.145 ( 2.778 22.804 19.014) 29.821 16.137 ( 1.790 -0.711 2.416) 3.090 16.162 ( 3.862 2.666 -2.779) 5.453 16.818 ( -8.351 -13.866 -8.649) 18.352 17.265 ( 0.298 -8.159 -5.468) 9.827 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 9.757 7.273 -5.289) 13.270 1.195 ( 14.789 -2.069 8.066) 16.972 1.727 ( -4.749 -14.363 -10.130) 18.206 2.751 ( -3.448 -1.264 1.575) 3.996 2.929 ( -0.894 1.466 0.909) 1.943 3.191 ( -3.261 -3.351 5.661) 7.343 3.481 ( -5.059 8.161 -0.548) 9.618 3.678 ( 6.462 -2.787 -3.657) 7.931 4.546 ( 3.586 4.487 -3.570) 6.763 4.834 ( 2.772 -10.154 1.519) 10.635 5.255 ( 1.854 0.732 -2.328) 3.065 6.253 ( 6.298 1.074 4.151) 7.619 6.343 ( -5.591 -5.738 -3.353) 8.685 7.413 ( -1.241 -3.163 -0.383) 3.420 7.595 ( -7.632 2.180 4.009) 8.893 7.928 ( 3.124 3.490 -2.545) 5.331 8.603 ( 2.527 2.578 4.975) 6.147 9.221 ( -4.544 4.453 -0.697) 6.401 13.296 ( 6.815 0.267 0.144) 6.821 15.399 ( -11.082 15.603 13.364) 23.342 16.111 ( -3.993 2.258 -2.749) 5.348 16.163 ( -6.326 2.125 4.981) 8.328 16.670 ( 13.424 -11.531 -7.611) 19.264 17.176 ( 1.534 -6.807 -5.234) 8.722 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 11.417 1.630 -4.723) 12.462 1.442 ( 6.700 -3.407 -4.711) 8.871 1.544 ( 7.264 -5.247 1.758) 9.132 2.668 ( -5.554 -0.820 1.418) 5.790 2.861 ( -4.213 -2.792 0.536) 5.083 3.249 ( 3.263 5.744 3.579) 7.513 3.457 ( -5.493 0.650 -0.630) 5.567 3.667 ( 0.596 -2.233 -1.691) 2.863 4.731 ( 10.673 6.343 -0.250) 12.418 4.820 ( 4.925 -8.091 2.944) 9.919 5.238 ( -0.783 -0.040 -5.504) 5.559 6.171 ( -3.399 -5.462 -4.110) 7.634 6.415 ( 4.953 3.470 4.068) 7.289 7.319 ( -6.811 -2.529 2.185) 7.587 7.549 ( -1.941 0.784 1.531) 2.593 7.970 ( 0.088 3.684 -3.285) 4.936 8.694 ( 3.580 -0.809 4.513) 5.817 9.137 ( -8.685 3.025 -1.380) 9.300 13.461 ( 12.022 0.020 0.238) 12.024 15.193 ( -23.956 1.165 1.394) 24.025 16.023 ( -7.145 0.468 -0.105) 7.161 16.185 ( -2.360 7.765 6.377) 10.321 16.858 ( 18.902 -4.063 -2.703) 19.522 17.122 ( 2.210 -4.634 -4.002) 6.509 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -2.321 3.843 3.647) 5.784 1.503 ( 12.188 1.943 -7.812) 14.606 1.746 ( 12.963 -5.139 2.233) 14.122 2.578 ( -5.857 0.625 1.355) 6.044 2.795 ( -0.731 -1.815 0.327) 1.984 3.271 ( -10.068 -5.920 -1.658) 11.797 3.404 ( 4.388 6.128 1.427) 7.671 3.704 ( 3.319 3.630 0.355) 4.931 4.802 ( 0.693 -1.270 -0.078) 1.449 4.962 ( 3.057 -3.897 5.862) 7.674 5.244 ( 9.838 3.144 -6.734) 12.330 6.078 ( -0.639 -3.192 -1.236) 3.482 6.533 ( 2.416 4.302 1.341) 5.113 7.168 ( -9.022 -2.545 0.753) 9.404 7.551 ( 0.757 -0.258 1.227) 1.465 7.981 ( -0.705 3.850 -1.889) 4.346 8.749 ( 1.314 -2.279 2.275) 3.478 8.987 ( -8.443 -0.111 -1.865) 8.647 13.691 ( 14.498 -0.355 0.498) 14.510 14.763 ( -23.716 -2.408 -1.862) 23.910 15.883 ( -9.465 -0.099 0.475) 9.477 16.228 ( -1.037 0.963 0.283) 1.443 17.115 ( 2.635 -0.682 -0.723) 2.816 17.149 ( 15.410 2.219 1.242) 15.619 ======================= Grid point 52 (44/226) ======================= q-point: (-0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -5.395 13.398 10.026) 17.582 1.683 ( 10.833 0.166 -5.768) 12.274 1.889 ( 9.415 -5.430 2.351) 11.120 2.494 ( -6.004 2.500 -1.699) 6.722 2.804 ( 3.227 -1.350 -0.111) 3.500 3.011 ( -9.631 -9.435 -1.394) 13.554 3.513 ( -1.404 7.811 3.268) 8.582 3.857 ( 9.039 6.332 -2.154) 11.244 4.785 ( -2.420 -1.019 0.311) 2.644 4.889 ( -3.004 -5.859 0.614) 6.613 5.510 ( 14.976 3.181 1.850) 15.421 6.060 ( 0.591 -1.608 1.610) 2.351 6.602 ( 0.292 4.906 -0.422) 4.933 6.982 ( -8.801 -2.233 -3.015) 9.568 7.584 ( 2.419 -0.462 1.812) 3.057 8.008 ( 0.284 3.955 -0.826) 4.051 8.664 ( -11.006 -0.116 0.795) 11.035 8.892 ( 2.914 -6.390 -2.809) 7.564 13.929 ( 12.865 -0.471 0.356) 12.879 14.362 ( -19.657 -1.544 -0.346) 19.720 15.720 ( -9.319 -0.292 0.491) 9.336 16.167 ( -0.531 -6.541 -6.217) 9.040 17.165 ( 2.991 1.360 0.669) 3.353 17.436 ( 10.418 6.459 4.386) 13.018 ======================= Grid point 53 (45/226) ======================= q-point: (-0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -5.858 16.114 12.401) 21.161 1.759 ( 0.967 -1.712 0.798) 2.122 2.004 ( 5.896 -1.701 -0.462) 6.154 2.401 ( -5.092 2.645 -3.972) 6.979 2.747 ( -4.953 -12.277 -4.113) 13.863 2.885 ( 4.551 0.641 1.691) 4.897 3.582 ( -2.080 9.151 4.294) 10.320 4.067 ( 8.940 7.426 -4.057) 12.309 4.672 ( -5.486 -8.287 2.594) 10.271 4.835 ( -1.550 1.425 -0.894) 2.287 5.772 ( 10.065 0.896 5.144) 11.339 6.074 ( 0.752 -0.871 3.243) 3.441 6.624 ( -2.765 0.971 2.409) 3.794 6.833 ( -2.578 2.788 -9.254) 10.003 7.647 ( 3.480 -0.029 3.098) 4.660 8.048 ( 0.580 3.656 -1.714) 4.079 8.457 ( -12.487 -0.890 2.443) 12.755 8.870 ( 5.238 -8.457 -5.635) 11.433 14.049 ( -7.517 6.608 -8.609) 13.202 14.122 ( -1.254 -5.674 11.974) 13.309 15.594 ( -4.617 -0.178 0.202) 4.625 16.020 ( -0.414 -10.844 -9.899) 14.688 17.241 ( 3.047 1.915 1.166) 3.783 17.674 ( 6.338 7.286 4.862) 10.812 ======================= Grid point 54 (46/226) ======================= q-point: (-0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -4.446 5.790 9.974) 12.360 1.719 ( -8.167 6.013 10.271) 14.434 1.959 ( -10.156 4.524 -8.052) 13.727 2.389 ( 4.099 0.044 0.350) 4.114 2.544 ( -2.675 -9.646 -3.821) 10.715 3.011 ( 9.777 -1.547 -0.825) 9.933 3.686 ( 0.040 10.030 4.090) 10.833 4.232 ( 4.899 6.371 -3.620) 8.815 4.493 ( -7.063 -9.679 3.285) 12.424 4.820 ( -2.646 2.702 -0.653) 3.838 5.898 ( 1.085 -0.430 2.530) 2.786 6.124 ( 3.085 0.291 3.816) 4.916 6.575 ( -1.647 -3.832 5.681) 7.048 6.846 ( 3.927 6.233 -10.275) 12.643 7.731 ( 2.496 0.752 5.655) 6.227 8.061 ( -0.644 2.956 -5.473) 6.253 8.292 ( -8.035 -1.677 6.763) 10.636 8.827 ( 4.637 -7.877 -9.257) 13.010 13.924 ( -9.046 8.633 -0.174) 12.506 14.108 ( -5.770 -3.696 6.829) 9.674 15.585 ( 3.682 -0.006 0.159) 3.686 15.841 ( 0.119 -11.268 -10.066) 15.110 17.309 ( 2.532 0.999 0.480) 2.764 17.850 ( 3.636 5.574 3.785) 7.657 ======================= Grid point 56 (47/226) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -11.688 -4.120 10.142) 16.014 1.709 ( -17.587 7.173 -7.918) 20.578 2.148 ( 0.482 -0.469 0.551) 0.870 2.370 ( 3.828 3.762 3.900) 6.634 2.541 ( 8.377 1.049 1.089) 8.512 3.028 ( 6.179 -4.364 -2.973) 8.128 3.860 ( -1.041 -3.557 0.272) 3.716 4.123 ( -7.998 -7.287 0.875) 10.855 4.492 ( 5.283 9.262 -1.313) 10.743 4.821 ( -4.491 0.988 1.446) 4.821 5.748 ( -9.138 -2.305 -7.306) 11.925 6.150 ( 2.327 -2.418 -2.286) 4.060 6.741 ( 4.432 -1.229 13.449) 14.213 6.818 ( 3.624 -2.237 -4.886) 6.481 7.822 ( -0.306 -4.462 -7.124) 8.412 8.067 ( 1.931 0.498 7.449) 7.712 8.311 ( -6.959 5.749 8.130) 12.148 8.661 ( 8.103 3.601 -8.422) 12.230 13.915 ( -12.495 0.373 -0.304) 12.504 14.208 ( 2.623 6.580 5.896) 9.216 15.616 ( 2.938 2.521 1.921) 4.322 15.711 ( 9.088 0.283 0.487) 9.106 17.305 ( -0.240 -1.922 -1.810) 2.651 17.892 ( -2.858 -5.170 -3.192) 6.714 ======================= Grid point 57 (48/226) ======================= q-point: ( 0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -16.861 -1.184 8.205) 18.789 1.452 ( -16.909 7.621 -1.992) 18.654 2.126 ( 2.808 -7.427 -4.398) 9.077 2.525 ( 4.552 4.427 6.905) 9.381 2.691 ( 6.338 2.195 -0.634) 6.737 3.062 ( 5.874 -3.307 -4.365) 8.031 3.736 ( -7.182 -9.749 4.629) 12.963 3.973 ( -2.338 -1.613 -6.558) 7.147 4.689 ( 7.107 9.066 1.181) 11.580 4.754 ( -5.840 1.600 2.129) 6.418 5.475 ( -11.904 -6.227 -8.670) 15.989 6.124 ( -0.086 -4.693 -0.106) 4.695 6.737 ( -1.416 -5.455 1.422) 5.813 6.990 ( 10.566 2.369 5.424) 12.111 7.734 ( 0.699 -5.475 -5.472) 7.772 8.094 ( -0.495 -4.554 3.302) 5.647 8.350 ( -5.750 14.198 7.590) 17.095 8.827 ( 10.174 5.164 -3.773) 12.017 13.679 ( -14.596 0.388 -0.221) 14.602 14.437 ( 9.217 10.204 8.826) 16.339 15.743 ( 4.114 6.224 4.315) 8.619 15.879 ( 9.284 0.375 0.651) 9.314 17.254 ( -1.101 -3.249 -3.012) 4.565 17.701 ( -7.173 -10.334 -6.392) 14.110 ======================= Grid point 58 (49/226) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -14.094 2.846 5.807) 15.507 1.249 ( -16.075 7.005 3.174) 17.819 2.025 ( 2.405 -14.491 -9.206) 17.336 2.674 ( 4.672 1.807 4.430) 6.687 2.769 ( 2.706 0.066 0.433) 2.741 3.158 ( 8.013 3.881 -2.889) 9.361 3.536 ( -7.496 -9.462 4.955) 13.049 3.885 ( -3.272 0.773 -8.510) 9.150 4.687 ( -5.527 2.879 1.846) 6.500 4.913 ( 7.925 6.516 0.557) 10.274 5.143 ( -11.430 -9.690 -4.816) 15.740 6.078 ( -0.107 -4.384 2.487) 5.041 6.651 ( -2.703 -5.202 -1.068) 5.959 7.212 ( 8.921 2.850 2.292) 9.642 7.684 ( 2.226 -3.600 -3.394) 5.425 8.030 ( -4.479 -3.935 4.685) 7.582 8.455 ( -1.907 12.883 2.584) 13.277 9.034 ( 9.009 4.797 0.268) 10.210 13.452 ( -12.051 0.450 -0.031) 12.059 14.821 ( 14.404 13.547 11.854) 23.055 15.909 ( 4.302 6.642 4.350) 9.030 16.026 ( 6.914 0.629 0.187) 6.945 17.160 ( -4.127 -4.357 -3.855) 7.132 17.385 ( -9.367 -13.590 -8.381) 18.512 ======================= Grid point 59 (50/226) ======================= q-point: ( 0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -6.664 3.116 6.051) 9.525 1.098 ( -10.492 6.409 2.117) 12.476 1.816 ( -0.216 -17.267 -11.297) 20.636 2.747 ( 2.638 -0.976 1.040) 2.999 2.863 ( 4.557 3.562 2.540) 6.317 3.286 ( 1.053 -5.443 3.396) 6.502 3.424 ( 1.936 2.967 -0.591) 3.592 3.763 ( -7.335 3.163 -6.385) 10.226 4.635 ( -5.228 3.512 -3.348) 7.133 4.813 ( -4.676 -13.655 -1.524) 14.513 5.138 ( 4.787 5.431 3.365) 7.983 6.089 ( 2.775 -1.458 4.473) 5.462 6.526 ( -4.622 -5.013 -3.274) 7.564 7.349 ( 4.207 0.930 -0.715) 4.368 7.710 ( 5.102 -0.023 -3.223) 6.034 7.937 ( -6.501 -2.484 6.697) 9.658 8.554 ( 0.038 8.105 0.578) 8.125 9.207 ( 5.286 3.783 1.439) 6.658 13.294 ( -6.727 0.345 0.105) 6.737 15.311 ( 15.675 16.292 14.331) 26.768 16.058 ( 4.011 4.310 2.763) 6.504 16.122 ( 3.505 1.194 -1.012) 3.839 16.865 ( -15.830 -12.656 -7.798) 21.716 17.156 ( -0.510 -7.220 -5.318) 8.982 ======================= Grid point 60 (51/226) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.918 2.978 0.373) 3.138 1.075 ( 1.681 1.070 2.732) 3.381 1.594 ( -1.468 -10.721 -7.367) 13.090 2.776 ( 0.301 -0.495 0.774) 0.967 2.967 ( 1.151 3.183 0.518) 3.424 3.201 ( -1.936 -5.927 3.239) 7.027 3.538 ( 3.924 0.728 -1.456) 4.248 3.672 ( -4.383 6.624 -1.361) 8.059 4.518 ( -2.081 -1.817 -5.281) 5.960 4.717 ( 1.350 -5.302 2.796) 6.144 5.243 ( 1.511 2.176 0.593) 2.715 6.191 ( 4.864 1.102 4.038) 6.418 6.368 ( -5.042 -3.915 -3.513) 7.286 7.382 ( 0.878 -0.762 -0.771) 1.395 7.751 ( -2.679 0.697 0.328) 2.788 7.886 ( 0.854 0.569 1.337) 1.686 8.619 ( 0.743 2.632 1.299) 3.028 9.291 ( 0.244 2.281 0.531) 2.354 13.239 ( 0.046 0.165 0.069) 0.185 15.771 ( 1.772 17.142 15.680) 23.299 16.150 ( 0.027 0.226 0.228) 0.323 16.172 ( 7.991 2.039 -4.242) 9.274 16.426 ( -10.114 -14.702 -7.117) 19.212 17.080 ( 0.449 -3.856 -3.103) 4.970 ======================= Grid point 61 (52/226) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 7.146 1.370 -4.510) 8.561 1.197 ( 11.982 -3.510 1.611) 12.590 1.507 ( -0.857 1.776 1.118) 2.266 2.744 ( -3.419 -0.282 0.099) 3.432 2.930 ( -5.457 -1.779 0.128) 5.741 3.216 ( 3.894 3.082 -0.569) 4.998 3.520 ( -2.613 -4.914 -0.246) 5.571 3.698 ( -0.606 4.450 2.644) 5.212 4.569 ( 9.515 1.868 1.122) 9.761 4.727 ( 2.456 -1.566 -0.054) 2.914 5.239 ( -1.909 -1.010 -2.357) 3.197 6.163 ( -4.070 -3.027 -5.016) 7.133 6.392 ( 5.040 3.500 4.738) 7.752 7.364 ( -1.706 -1.640 0.274) 2.382 7.668 ( -7.081 0.443 3.570) 7.942 7.949 ( 3.750 3.163 -4.589) 6.718 8.650 ( 1.731 -2.532 2.155) 3.749 9.262 ( -4.873 0.305 -1.130) 5.012 13.299 ( 6.790 -0.065 -0.013) 6.790 15.612 ( -25.033 -2.021 -2.193) 25.210 16.119 ( -3.711 -0.261 0.582) 3.765 16.250 ( 0.552 -6.272 -3.030) 6.988 16.511 ( 20.615 8.964 4.972) 23.023 17.058 ( 0.876 -0.554 -0.425) 1.121 ======================= Grid point 63 (53/226) ======================= q-point: (-0.36 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 12.005 -1.036 -4.485) 12.857 1.390 ( 13.304 -2.825 -1.574) 13.692 1.603 ( 0.653 10.400 8.116) 13.208 2.680 ( -4.445 0.765 0.523) 4.540 2.816 ( -4.265 -1.930 -1.032) 4.794 3.275 ( -2.300 -4.963 -2.301) 5.935 3.433 ( 1.548 3.257 -0.295) 3.618 3.760 ( -0.716 4.691 5.088) 6.957 4.737 ( 4.500 -4.058 2.935) 6.733 4.853 ( 11.178 5.219 2.985) 12.692 5.147 ( -1.702 -2.357 -6.301) 6.939 6.067 ( -1.723 -0.334 -2.983) 3.461 6.535 ( 3.830 4.332 2.777) 6.415 7.277 ( -6.508 -2.728 0.127) 7.058 7.600 ( -3.789 1.739 2.311) 4.767 8.002 ( 1.488 4.015 -3.795) 5.722 8.659 ( 3.527 -6.620 1.165) 7.591 9.124 ( -8.976 -1.924 -2.365) 9.480 13.460 ( 12.043 -0.348 0.061) 12.049 15.115 ( -23.954 -5.859 -5.418) 25.248 16.026 ( -7.043 -1.113 1.282) 7.245 16.166 ( 0.727 -7.994 -7.094) 10.713 16.975 ( 16.478 10.911 7.348) 21.085 17.093 ( 1.344 3.038 2.350) 4.070 ======================= Grid point 64 (54/226) ======================= q-point: (-0.27 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 15.190 -0.355 -5.956) 16.320 1.562 ( 10.227 -2.179 1.529) 10.567 1.782 ( -0.014 11.994 9.120) 15.068 2.605 ( -5.542 1.247 -1.376) 5.845 2.752 ( -0.768 -2.007 -1.841) 2.830 3.078 ( -8.091 -8.348 1.111) 11.679 3.586 ( 5.356 9.403 -1.382) 10.909 3.831 ( 0.815 5.417 3.921) 6.736 4.782 ( 2.616 -0.961 0.594) 2.850 4.879 ( -4.926 -8.304 0.294) 9.659 5.292 ( 15.766 5.273 1.311) 16.676 6.057 ( 0.237 1.593 0.027) 1.611 6.636 ( 1.697 5.017 0.477) 5.318 7.098 ( -9.737 -2.941 -2.930) 10.585 7.601 ( -0.932 2.791 2.874) 4.113 8.038 ( 0.262 4.234 -1.918) 4.656 8.655 ( 5.245 -9.112 -1.789) 10.665 8.905 ( -11.379 -3.972 -2.010) 12.218 13.686 ( 14.556 -0.586 0.280) 14.571 14.658 ( -19.464 -4.761 -4.372) 20.509 15.881 ( -9.220 -1.554 1.532) 9.475 16.028 ( -0.224 -9.915 -10.171) 14.206 17.155 ( 2.120 2.800 2.538) 4.333 17.382 ( 11.060 11.820 7.967) 18.042 ======================= Grid point 65 (55/226) ======================= q-point: (-0.18 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 9.773 1.803 -7.650) 12.541 1.747 ( 12.187 -2.993 6.890) 14.316 1.926 ( -2.151 10.495 7.579) 13.123 2.502 ( -5.753 1.497 -4.914) 7.713 2.657 ( -3.428 -9.201 -3.082) 10.291 2.936 ( -4.559 -0.048 3.699) 5.871 3.720 ( -0.171 8.234 2.607) 8.639 3.977 ( 7.441 8.299 -1.738) 11.281 4.684 ( -5.329 -9.803 0.506) 11.169 4.834 ( 2.174 0.063 -0.030) 2.175 5.614 ( 13.645 2.743 5.486) 14.960 6.083 ( -0.165 1.052 2.510) 2.727 6.702 ( -0.298 5.017 0.813) 5.091 6.881 ( -8.494 -1.159 -7.832) 11.612 7.654 ( 0.762 3.591 4.741) 5.996 8.069 ( -0.065 4.094 -2.468) 4.781 8.630 ( 5.544 -12.146 -7.814) 15.470 8.661 ( -11.129 -2.895 3.243) 11.948 13.921 ( 12.771 -0.391 -0.047) 12.778 14.328 ( -13.230 -2.130 -0.929) 13.432 15.716 ( -9.018 -1.273 1.183) 9.184 15.850 ( -0.850 -10.456 -10.915) 15.139 17.233 ( 1.879 2.670 2.299) 3.993 17.682 ( 6.700 9.368 6.382) 13.167 ======================= Grid point 66 (56/226) ======================= q-point: (-0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 3.161 0.328 -2.024) 3.768 1.956 ( 7.955 -0.020 4.744) 9.262 2.011 ( -3.766 8.989 5.673) 11.276 2.392 ( -3.980 1.011 -4.862) 6.364 2.466 ( -3.872 -10.033 -3.053) 11.179 2.929 ( 0.102 1.217 1.825) 2.196 3.801 ( -0.651 6.645 3.314) 7.454 4.177 ( 6.999 9.433 -4.365) 12.531 4.509 ( -4.588 -11.004 2.582) 12.199 4.863 ( 0.247 1.132 0.131) 1.166 5.847 ( 7.443 0.456 4.671) 8.799 6.098 ( 0.062 -0.196 2.278) 2.288 6.662 ( -6.865 -2.118 3.712) 8.087 6.795 ( 1.928 6.000 -9.776) 11.631 7.754 ( 2.131 4.106 7.090) 8.466 8.068 ( -1.306 2.666 -6.749) 7.373 8.444 ( -7.555 -6.208 5.214) 11.081 8.608 ( 4.365 -6.128 -7.200) 10.414 14.061 ( 2.022 2.281 -3.705) 4.798 14.176 ( -3.746 -1.402 5.924) 7.148 15.592 ( -4.319 -0.384 0.301) 4.347 15.681 ( -0.440 -8.586 -8.312) 11.958 17.293 ( 1.398 1.488 1.207) 2.372 17.869 ( 3.206 5.484 3.769) 7.386 ======================= Grid point 135 (57/226) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -0.000 -0.000 24.164) 24.164 0.452 ( -0.000 -0.000 24.164) 24.164 0.591 ( -0.000 -0.000 31.633) 31.633 2.943 ( 0.000 0.000 -4.231) 4.231 2.943 ( 0.000 0.000 -4.231) 4.231 3.394 ( -0.000 -0.000 3.844) 3.844 3.394 ( 0.000 -0.000 3.844) 3.844 4.024 ( 0.000 0.000 -7.409) 7.409 4.532 ( -0.000 -0.000 2.081) 2.081 4.532 ( 0.000 -0.000 2.081) 2.081 5.554 ( -0.000 -0.000 3.700) 3.700 6.918 ( 0.000 0.000 -2.918) 2.918 7.090 ( -0.000 -0.000 3.680) 3.680 7.535 ( 0.000 0.000 -0.348) 0.348 7.535 ( 0.000 0.000 -0.348) 0.348 8.020 ( 0.000 0.000 -0.825) 0.825 8.141 ( -0.000 0.000 -2.323) 2.323 8.141 ( 0.000 0.000 -2.323) 2.323 13.279 ( -0.000 -0.000 6.065) 6.065 13.279 ( 0.000 -0.000 6.065) 6.065 16.082 ( -0.000 0.000 -3.523) 3.523 16.082 ( 0.000 0.000 -3.523) 3.523 17.470 ( 0.000 0.000 -1.139) 1.139 18.211 ( -0.000 -0.000 0.870) 0.870 ======================= Grid point 136 (58/226) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 3.104 -0.203 12.063) 12.457 0.834 ( 2.236 20.706 22.892) 30.948 1.037 ( 20.204 -2.554 26.156) 33.149 2.776 ( -6.277 -4.601 -5.406) 9.476 2.931 ( -5.413 -3.400 1.989) 6.694 3.488 ( 10.383 5.854 -4.490) 12.737 3.558 ( 8.081 3.054 5.261) 10.115 3.843 ( -8.133 -4.960 -3.563) 10.170 4.531 ( -2.971 0.597 4.654) 5.554 4.616 ( 3.960 1.389 -6.019) 7.338 5.608 ( 1.916 1.940 2.354) 3.602 6.518 ( -21.506 -14.827 23.591) 35.198 6.907 ( -2.358 -2.067 -0.584) 3.190 7.430 ( -8.053 -2.580 -1.038) 8.520 7.589 ( 2.691 2.118 1.533) 3.753 7.963 ( 1.389 -1.269 -1.888) 2.665 8.193 ( 2.912 0.615 1.124) 3.181 8.626 ( 17.303 13.066 -23.148) 31.717 13.307 ( 2.988 0.874 4.520) 5.489 13.446 ( 5.611 5.311 10.937) 13.390 15.993 ( -3.791 -0.883 -6.546) 7.616 16.117 ( 0.139 0.228 -0.428) 0.505 17.449 ( -1.014 -0.708 -1.692) 2.095 18.063 ( -6.613 -5.982 4.243) 9.875 ======================= Grid point 137 (59/226) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 19.019 12.868 -6.882) 23.972 1.209 ( 1.530 21.465 20.271) 29.564 1.481 ( 18.777 -4.811 21.144) 28.684 2.606 ( -5.505 -3.028 -4.281) 7.603 2.799 ( -6.065 -5.565 4.036) 9.168 3.606 ( -7.688 -4.437 -5.984) 10.706 3.658 ( 7.586 -4.327 -1.669) 8.891 3.804 ( 9.119 10.687 0.831) 14.074 4.522 ( 0.472 -5.192 3.795) 6.449 4.624 ( -1.644 5.830 -2.552) 6.573 5.658 ( 0.632 3.142 -1.535) 3.553 6.352 ( -5.023 -5.407 15.337) 17.020 6.832 ( -2.575 -3.683 0.420) 4.513 7.233 ( -9.562 -4.801 -0.582) 10.716 7.687 ( 4.447 2.211 3.286) 5.955 7.958 ( 1.384 -1.282 -4.035) 4.454 8.258 ( 0.822 2.066 5.289) 5.737 8.738 ( 3.595 4.972 -18.045) 19.060 13.444 ( 7.597 3.129 3.635) 8.984 13.692 ( 6.594 7.382 13.488) 16.731 15.860 ( -5.109 -1.046 -8.587) 10.047 16.071 ( -5.219 -2.724 4.413) 7.358 17.405 ( -1.393 -1.219 -2.467) 3.084 17.967 ( -1.090 -4.066 -0.386) 4.227 ======================= Grid point 138 (60/226) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 20.682 14.310 -10.384) 27.210 1.533 ( -0.013 17.779 15.842) 23.813 1.828 ( 14.863 -5.645 15.332) 22.087 2.480 ( -4.524 -1.037 -3.317) 5.704 2.675 ( -5.064 -5.593 4.103) 8.588 3.345 ( -9.809 -7.078 -5.012) 13.093 3.750 ( 8.082 -4.601 -1.203) 9.378 4.047 ( 5.519 12.110 -0.355) 13.313 4.457 ( -0.498 -7.337 -1.968) 7.613 4.700 ( 1.760 6.722 4.505) 8.281 5.683 ( 0.926 4.431 -5.925) 7.457 6.308 ( -4.348 -3.148 3.815) 6.586 6.789 ( 0.315 -3.464 5.792) 6.756 7.024 ( -8.754 -5.897 0.885) 10.592 7.808 ( 4.988 0.172 3.022) 5.834 7.944 ( 1.512 -0.400 -3.059) 3.436 8.325 ( -1.341 4.104 8.259) 9.320 8.678 ( -1.274 0.706 -14.455) 14.529 13.658 ( 10.181 4.519 3.498) 11.675 13.955 ( 5.709 7.510 12.235) 15.449 15.706 ( -5.008 -1.342 -8.384) 9.858 15.953 ( -8.252 -4.831 7.142) 11.935 17.353 ( -1.150 -1.199 -2.921) 3.360 17.923 ( 0.988 -2.560 -3.807) 4.693 ======================= Grid point 139 (61/226) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 19.015 12.955 -9.769) 24.997 1.720 ( -2.266 8.245 7.947) 11.673 2.065 ( 9.746 -4.165 9.099) 13.968 2.379 ( -4.830 -0.017 -2.865) 5.616 2.574 ( -4.596 -3.868 5.336) 8.034 3.103 ( -7.967 -5.670 -2.532) 10.101 3.822 ( 5.621 -3.398 -1.561) 6.751 4.207 ( 3.665 6.102 -3.323) 7.855 4.383 ( -1.206 -1.742 0.514) 2.181 4.828 ( 2.625 4.105 4.571) 6.681 5.706 ( 3.022 3.941 -10.668) 11.767 6.194 ( -5.334 -2.465 -0.964) 5.955 6.799 ( -1.156 -6.024 -4.814) 7.798 6.875 ( -4.448 -1.352 15.290) 15.981 7.834 ( -0.745 1.158 -5.738) 5.901 8.013 ( 6.430 -3.967 6.755) 10.135 8.394 ( -3.297 7.193 5.751) 9.782 8.562 ( -1.401 -2.327 -7.726) 8.190 13.901 ( 9.658 4.395 4.662) 11.590 14.145 ( 1.828 5.131 5.232) 7.553 15.588 ( -2.240 -0.864 -3.730) 4.436 15.799 ( -8.845 -5.540 7.894) 13.086 17.312 ( -0.472 -0.619 -2.872) 2.975 17.897 ( 1.515 -1.146 -5.955) 6.251 ======================= Grid point 140 (62/226) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -2.563 -3.156 -2.063) 4.559 1.832 ( 14.068 9.179 -6.687) 18.080 2.136 ( -4.744 0.952 -3.569) 6.012 2.320 ( 2.656 -3.075 3.424) 5.313 2.501 ( -6.021 -2.199 8.249) 10.446 2.959 ( -3.182 -0.990 -0.634) 3.392 3.843 ( 0.724 -0.393 -3.097) 3.204 4.253 ( 6.686 -7.053 -5.864) 11.351 4.396 ( -3.941 7.534 4.433) 9.588 4.895 ( -0.782 1.674 2.396) 3.026 5.736 ( 6.259 1.591 -13.647) 15.098 6.115 ( -2.380 1.260 0.042) 2.694 6.639 ( -4.335 -6.241 -4.098) 8.634 6.945 ( -1.071 0.891 14.612) 14.678 7.783 ( -2.266 3.087 -7.853) 8.737 8.107 ( 4.135 -6.051 9.200) 11.762 8.327 ( -4.611 -1.360 -9.203) 10.383 8.610 ( 2.977 4.897 10.123) 11.633 14.098 ( 5.001 0.862 6.964) 8.617 14.154 ( -4.350 1.801 -5.371) 7.143 15.591 ( 2.116 1.122 4.213) 4.846 15.665 ( -5.632 -4.452 7.067) 10.074 17.293 ( 0.487 0.271 -2.528) 2.588 17.877 ( 1.502 0.188 -7.408) 7.561 ======================= Grid point 141 (63/226) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -2.987 -12.134 -9.459) 15.672 1.929 ( -14.660 3.165 -10.900) 18.540 2.017 ( 2.322 -0.447 0.825) 2.505 2.406 ( 5.775 -3.780 5.148) 8.611 2.446 ( -3.100 1.838 6.327) 7.281 2.985 ( 3.997 5.121 0.384) 6.507 3.810 ( -3.086 2.690 -3.856) 5.624 4.221 ( 3.855 -10.563 -7.829) 13.702 4.429 ( -2.970 5.628 5.682) 8.531 4.875 ( -3.064 -0.798 1.773) 3.629 5.781 ( 6.775 1.488 -12.675) 14.449 6.113 ( -0.563 1.624 -2.817) 3.300 6.521 ( -0.970 -2.323 -1.510) 2.935 7.017 ( -1.684 1.007 13.535) 13.676 7.729 ( -2.140 3.593 -8.109) 9.124 8.142 ( -3.253 0.075 4.734) 5.745 8.187 ( 1.421 -8.580 -4.389) 9.742 8.798 ( 4.704 4.958 11.191) 13.113 13.971 ( -7.326 -3.722 -12.919) 15.311 14.164 ( -4.611 -1.876 10.742) 11.840 15.624 ( -0.554 1.374 4.739) 4.965 15.721 ( 5.958 -0.133 9.362) 11.098 17.303 ( 1.500 1.119 -2.157) 2.856 17.860 ( 1.399 1.232 -8.497) 8.699 ======================= Grid point 142 (64/226) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -3.828 -18.396 -14.249) 23.582 1.592 ( -19.888 4.554 -15.058) 25.358 1.908 ( -11.075 -10.176 10.852) 18.546 2.476 ( 4.696 -1.798 4.314) 6.625 2.539 ( 2.862 5.568 2.914) 6.906 3.185 ( 10.526 7.853 0.959) 13.168 3.750 ( -5.989 5.630 -3.515) 8.940 4.087 ( 1.477 -13.783 -9.420) 16.760 4.465 ( -3.014 4.417 3.158) 6.210 4.819 ( -2.730 -2.719 4.325) 5.793 5.829 ( 4.134 1.421 -7.865) 8.999 6.039 ( -3.465 -1.550 -9.174) 9.928 6.572 ( 5.419 2.997 1.767) 6.440 7.081 ( -1.034 1.560 11.500) 11.651 7.681 ( -1.312 1.832 -6.730) 7.097 8.052 ( -1.495 -1.946 -6.495) 6.943 8.177 ( -0.169 -3.471 6.504) 7.374 8.983 ( 4.414 3.189 9.553) 10.996 13.708 ( -7.867 -4.855 -14.403) 17.114 14.048 ( -12.106 -6.109 12.662) 18.552 15.719 ( 4.201 4.776 4.419) 7.745 15.883 ( 6.084 -0.565 9.246) 11.083 17.336 ( 2.292 1.606 -1.909) 3.388 17.844 ( 1.472 1.712 -9.395) 9.663 ======================= Grid point 143 (65/226) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -5.044 -21.388 -15.656) 26.982 1.166 ( -23.713 5.273 -18.308) 30.419 1.629 ( -17.170 -13.687 16.346) 27.374 2.594 ( 8.495 -3.137 5.765) 10.735 2.664 ( 1.614 8.871 2.982) 9.497 3.449 ( 9.860 6.092 -0.294) 11.594 3.680 ( -6.375 5.532 -2.441) 8.786 3.912 ( 1.155 -12.724 -9.542) 15.946 4.424 ( -5.637 1.860 -0.578) 5.964 4.818 ( 1.023 -1.142 6.364) 6.546 5.840 ( 0.050 -0.585 -1.691) 1.790 5.888 ( -4.757 -1.945 -9.083) 10.436 6.727 ( 6.721 3.648 0.866) 7.696 7.170 ( 1.947 3.609 7.856) 8.862 7.633 ( -0.919 -1.037 -4.166) 4.390 7.999 ( 1.802 -1.764 -6.175) 6.670 8.171 ( -2.589 -0.265 4.634) 5.315 9.118 ( 2.821 1.827 6.042) 6.914 13.458 ( -6.247 -4.277 -11.830) 14.045 13.823 ( -14.862 -7.445 12.551) 20.829 15.885 ( 4.725 6.285 5.450) 9.567 16.017 ( 4.865 -1.542 6.895) 8.578 17.384 ( 2.615 1.589 -1.746) 3.523 17.828 ( 1.955 1.425 -9.870) 10.162 ======================= Grid point 144 (66/226) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -6.541 -18.690 -11.172) 22.735 0.677 ( -25.680 4.857 -18.894) 32.250 1.275 ( -20.562 -15.893 20.601) 33.164 2.767 ( 10.181 -2.622 6.048) 12.129 2.814 ( 2.805 9.432 5.317) 11.184 3.526 ( -5.653 7.294 -6.705) 11.406 3.587 ( 0.262 -13.027 -4.806) 13.888 3.835 ( 1.014 0.743 -1.192) 1.733 4.373 ( -0.081 2.118 -0.816) 2.272 4.874 ( 1.635 0.481 1.061) 2.007 5.718 ( -5.153 -1.896 -9.369) 10.860 5.847 ( -1.050 -1.939 13.817) 13.992 6.855 ( 4.473 2.181 -0.289) 4.985 7.315 ( 5.072 5.832 3.786) 8.607 7.582 ( -0.870 -2.204 -2.020) 3.114 7.992 ( 2.972 -2.209 -4.405) 5.755 8.143 ( -3.125 1.111 1.532) 3.653 9.176 ( -0.003 0.794 -1.745) 1.917 13.283 ( -3.422 -2.421 -6.650) 7.860 13.581 ( -13.690 -6.551 11.301) 18.922 16.046 ( 2.290 6.275 5.518) 8.664 16.099 ( 3.162 -2.290 3.744) 5.409 17.430 ( 2.292 1.189 -1.475) 2.974 17.825 ( 3.407 0.629 -7.707) 8.450 ======================= Grid point 147 (67/226) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -12.752 -8.902 22.643) 27.469 0.685 ( 17.566 -5.640 25.150) 31.191 1.333 ( -3.421 23.512 23.601) 33.489 2.846 ( -1.762 1.716 -7.675) 8.059 2.937 ( 1.038 -0.451 -2.614) 2.849 3.408 ( 0.245 1.339 1.827) 2.279 3.515 ( -1.774 -1.767 5.925) 6.432 3.840 ( -0.287 -3.903 -6.248) 7.373 4.476 ( 0.584 -5.726 1.830) 6.039 4.686 ( 0.406 8.556 -0.879) 8.610 5.615 ( 0.871 0.278 2.312) 2.486 6.628 ( -1.963 -24.926 15.495) 29.415 6.908 ( -1.130 -4.522 0.818) 4.733 7.492 ( 7.436 -3.950 1.068) 8.488 7.538 ( -4.728 0.562 0.061) 4.761 7.945 ( -4.817 -3.167 -3.177) 6.582 8.084 ( 3.179 3.056 -1.722) 4.734 8.620 ( 1.476 26.429 -15.207) 30.527 13.277 ( -0.269 -3.882 6.072) 7.212 13.584 ( 1.224 14.737 12.375) 19.283 16.038 ( 2.043 3.795 -7.604) 8.740 16.083 ( -0.915 2.429 -3.545) 4.394 17.432 ( -0.150 -2.199 -2.050) 3.010 18.034 ( -1.643 -16.004 4.870) 16.809 ======================= Grid point 148 (68/226) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 5.225 5.296 8.449) 11.258 1.134 ( 21.443 -5.349 21.884) 31.102 1.636 ( -2.522 19.840 19.969) 28.262 2.700 ( -9.065 3.047 -6.411) 11.514 2.875 ( -5.023 -4.833 2.554) 7.424 3.510 ( 2.900 -6.952 -0.040) 7.532 3.523 ( 6.150 -1.508 -4.398) 7.710 3.782 ( 2.418 3.185 -0.475) 4.027 4.445 ( 0.990 -5.514 -0.159) 5.604 4.750 ( -2.298 7.980 1.371) 8.416 5.648 ( 1.957 -0.721 -0.556) 2.158 6.431 ( -4.884 -14.573 13.663) 20.565 6.825 ( -2.285 -5.207 -1.368) 5.848 7.368 ( -10.540 -2.600 2.297) 11.096 7.647 ( 7.322 1.549 0.142) 7.486 7.856 ( 1.420 -4.666 -3.219) 5.843 8.220 ( 5.948 3.133 2.639) 7.222 8.754 ( -1.472 17.601 -14.308) 22.731 13.330 ( 6.238 -3.295 5.840) 9.158 13.861 ( 1.702 18.497 14.051) 23.291 15.943 ( -7.972 4.731 -9.134) 13.014 16.122 ( 0.329 0.779 -0.349) 0.915 17.378 ( -0.508 -4.088 -2.847) 5.007 17.879 ( 0.101 -14.758 2.596) 14.985 ======================= Grid point 149 (69/226) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 16.710 12.457 -4.648) 21.354 1.550 ( 18.569 -4.527 17.804) 26.121 1.849 ( -3.635 11.707 13.044) 17.900 2.566 ( -6.953 4.703 -4.438) 9.495 2.754 ( -5.815 -4.442 5.062) 8.898 3.352 ( -5.000 -10.919 -5.022) 13.016 3.573 ( 5.650 -3.463 -1.933) 6.903 3.990 ( 11.005 5.849 -0.180) 12.464 4.396 ( -0.198 -3.090 -2.517) 3.990 4.798 ( -1.820 6.179 4.505) 7.860 5.649 ( 1.431 -1.548 -5.127) 5.543 6.345 ( -2.058 -7.363 7.112) 10.442 6.733 ( 0.288 -7.515 -0.852) 7.569 7.180 ( -11.246 -1.369 5.459) 12.576 7.767 ( 4.699 2.240 -2.244) 5.669 7.841 ( 3.725 -4.863 -0.522) 6.148 8.364 ( 4.160 2.848 7.059) 8.675 8.747 ( -6.598 12.635 -12.377) 18.878 13.489 ( 11.350 -2.656 5.792) 13.016 14.147 ( -0.535 19.417 12.883) 23.308 15.782 ( -8.738 4.005 -9.210) 13.312 16.081 ( -5.715 -2.570 5.441) 8.299 17.314 ( 0.469 -4.338 -3.702) 5.722 17.789 ( 3.767 -10.843 -2.585) 11.767 ======================= Grid point 150 (70/226) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 19.077 12.493 -8.722) 24.415 1.867 ( -1.051 1.801 4.913) 5.338 1.888 ( 9.237 -6.034 10.410) 15.169 2.487 ( -6.654 5.928 -3.774) 9.678 2.679 ( -4.820 -0.044 8.465) 9.741 3.134 ( -5.719 -9.026 -1.912) 10.855 3.641 ( 8.226 -4.131 -2.202) 9.464 4.114 ( 3.249 -4.808 -4.971) 7.641 4.424 ( 2.890 7.921 -0.120) 8.433 4.872 ( 0.659 3.963 6.128) 7.327 5.602 ( 1.699 -3.112 -10.995) 11.552 6.266 ( -4.839 -2.262 2.706) 5.988 6.676 ( 2.893 -9.278 -3.018) 10.176 7.058 ( -7.956 0.545 11.275) 13.810 7.800 ( 2.423 -0.559 -6.548) 7.004 7.889 ( 4.916 -4.341 4.013) 7.689 8.512 ( 2.988 4.206 10.312) 11.531 8.643 ( -10.004 9.856 -10.045) 17.266 13.720 ( 13.977 -2.383 6.070) 15.423 14.340 ( -5.655 16.160 6.512) 18.317 15.647 ( -5.707 4.126 -4.221) 8.210 15.959 ( -9.141 -4.602 8.524) 13.319 17.269 ( 1.236 -2.968 -3.715) 4.913 17.750 ( 5.501 -7.739 -6.849) 11.707 ======================= Grid point 151 (71/226) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 17.195 8.953 -8.770) 21.278 1.712 ( -5.376 -8.000 -5.825) 11.262 2.091 ( 7.626 -3.340 6.488) 10.555 2.390 ( -7.393 3.923 -3.235) 8.972 2.666 ( -6.740 1.991 10.975) 13.032 2.988 ( -2.568 -3.682 -0.147) 4.491 3.731 ( 7.587 -2.895 -2.946) 8.639 4.043 ( 3.117 -9.418 -6.119) 11.655 4.550 ( -0.881 9.601 1.799) 9.808 4.948 ( -0.488 2.127 4.549) 5.045 5.542 ( 5.293 -2.524 -14.145) 15.312 6.194 ( -4.398 1.007 2.088) 4.971 6.588 ( -0.299 -6.979 -5.431) 8.848 7.054 ( -2.633 -0.861 13.579) 13.859 7.782 ( 0.308 1.359 -7.633) 7.759 7.952 ( 6.543 -8.503 5.187) 11.917 8.481 ( -12.101 7.302 -5.970) 15.343 8.684 ( 3.019 5.987 10.700) 12.628 13.963 ( 12.075 -2.630 5.265) 13.433 14.328 ( -10.843 8.281 -1.532) 13.729 15.645 ( -1.115 6.490 4.325) 7.879 15.806 ( -9.208 -4.185 8.907) 13.477 17.252 ( 1.669 -1.371 -3.234) 3.889 17.734 ( 5.987 -5.278 -9.640) 12.516 ======================= Grid point 152 (72/226) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -6.352 -13.155 -9.689) 17.529 1.882 ( 12.337 3.786 -5.787) 14.143 2.102 ( -6.860 1.249 -5.733) 9.027 2.339 ( 1.132 -0.100 3.171) 3.368 2.609 ( -7.861 0.605 10.383) 13.037 2.982 ( 1.711 2.948 0.556) 3.454 3.775 ( 3.356 -3.591 -4.018) 6.348 3.994 ( 5.639 -8.324 -6.417) 11.927 4.588 ( -4.694 5.898 3.251) 8.209 4.934 ( -3.509 -0.241 1.050) 3.670 5.589 ( 8.896 2.950 -12.353) 15.506 6.150 ( -3.347 0.385 0.193) 3.375 6.500 ( -0.254 -1.930 -3.710) 4.190 7.083 ( -0.407 -4.659 12.005) 12.884 7.751 ( -0.889 3.566 -8.160) 8.950 8.007 ( 6.541 -9.177 4.041) 11.972 8.312 ( -11.460 4.569 -1.225) 12.398 8.861 ( 3.113 5.685 10.326) 12.192 14.013 ( -6.569 -0.067 -10.920) 12.743 14.251 ( -1.053 -2.063 11.535) 11.765 15.659 ( -3.848 -4.406 7.377) 9.415 15.799 ( -0.239 9.635 8.787) 13.042 17.258 ( 2.241 -0.145 -3.046) 3.785 17.728 ( 5.642 -3.207 -11.214) 12.956 ======================= Grid point 153 (73/226) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -7.725 -13.949 -10.080) 18.864 1.860 ( -15.603 4.464 -12.320) 20.376 1.979 ( -0.777 -5.557 3.356) 6.538 2.409 ( 3.816 -2.761 5.239) 7.045 2.605 ( -1.039 6.042 5.489) 8.228 3.101 ( 7.125 5.428 0.416) 8.967 3.723 ( 2.423 -11.011 -5.552) 12.567 3.961 ( -0.293 0.482 -7.105) 7.127 4.585 ( -3.422 4.427 3.069) 6.382 4.861 ( -3.799 -3.392 2.228) 5.559 5.706 ( 7.020 6.897 -11.781) 15.350 6.068 ( -5.081 -1.536 -1.607) 5.546 6.523 ( 4.105 2.436 -1.068) 4.891 7.097 ( 1.745 -8.241 10.205) 13.233 7.726 ( -1.782 6.208 -7.793) 10.122 8.014 ( 0.505 -4.880 -1.780) 5.219 8.201 ( -4.478 -0.978 6.422) 7.890 9.018 ( 2.952 3.819 8.277) 9.582 13.756 ( -11.282 -0.447 -13.551) 17.638 14.253 ( -6.717 -6.076 16.043) 18.423 15.657 ( 4.005 -4.016 6.606) 8.707 15.954 ( 0.141 9.728 8.235) 12.746 17.285 ( 2.950 0.604 -3.389) 4.533 17.723 ( 4.752 -1.327 -11.888) 12.872 ======================= Grid point 154 (74/226) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -10.001 -8.171 -4.533) 13.688 1.505 ( -21.587 6.466 -16.301) 27.812 1.841 ( -10.730 -11.097 12.476) 19.847 2.483 ( 5.074 -2.708 5.454) 7.926 2.723 ( 2.855 7.186 2.445) 8.110 3.319 ( 10.786 5.165 0.211) 11.961 3.586 ( 2.987 -15.307 -8.367) 17.698 3.922 ( -5.095 8.593 -4.773) 11.071 4.555 ( -6.807 2.678 -0.881) 7.367 4.805 ( 0.739 -4.899 5.521) 7.418 5.790 ( 2.576 6.587 -11.939) 13.877 5.955 ( -5.679 -0.814 2.440) 6.234 6.645 ( 6.837 3.115 -1.085) 7.592 7.122 ( 5.095 -9.159 8.147) 13.275 7.714 ( -3.924 9.328 -5.761) 11.645 7.933 ( -1.582 -3.345 -3.551) 5.129 8.195 ( -0.060 -3.571 7.106) 7.953 9.129 ( 2.257 1.226 4.587) 5.257 13.501 ( -9.449 0.464 -10.487) 14.124 14.100 ( -14.294 -7.333 16.080) 22.730 15.782 ( 9.521 -4.264 7.362) 12.768 16.079 ( -0.484 7.094 5.432) 8.948 17.326 ( 3.512 1.082 -3.901) 5.359 17.719 ( 3.658 0.861 -11.443) 12.045 ======================= Grid point 155 (75/226) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -11.091 7.967 9.802) 16.810 1.067 ( -25.455 7.860 -18.024) 32.165 1.576 ( -17.038 -13.326 18.101) 28.205 2.609 ( 8.581 -2.569 6.106) 10.840 2.836 ( 3.455 1.357 -0.480) 3.743 3.410 ( 0.784 -5.798 -1.971) 6.174 3.579 ( 9.630 1.252 -5.372) 11.098 3.888 ( -7.065 9.251 -3.004) 12.022 4.433 ( -5.608 -0.030 -0.688) 5.650 4.831 ( 2.342 -3.702 2.096) 4.857 5.747 ( -3.937 2.491 -8.204) 9.435 5.941 ( -1.552 2.215 10.198) 10.550 6.774 ( 6.253 1.488 -1.811) 6.678 7.203 ( 8.926 -6.932 4.955) 12.340 7.690 ( -6.946 8.705 -1.561) 11.245 7.891 ( 2.918 -1.373 -5.053) 5.994 8.191 ( -1.356 -2.646 4.802) 5.648 9.161 ( 0.240 -1.755 -2.080) 2.733 13.332 ( -6.445 3.042 -5.510) 9.009 13.857 ( -16.302 -7.227 14.762) 23.149 15.951 ( 9.467 -5.067 7.514) 13.105 16.133 ( -0.670 1.532 0.735) 1.827 17.376 ( 3.538 1.522 -3.502) 5.205 17.736 ( 3.321 4.368 -8.300) 9.950 ======================= Grid point 158 (76/226) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 2.231 3.333 13.668) 14.245 0.898 ( -19.257 -10.437 23.002) 31.762 1.736 ( -2.923 19.568 19.301) 27.640 2.713 ( 9.790 1.780 -5.596) 11.416 2.887 ( 3.437 -2.923 0.841) 4.589 3.542 ( -8.007 3.368 -4.142) 9.623 3.564 ( -4.954 -6.415 -2.719) 8.550 3.775 ( 0.237 0.914 0.847) 1.268 4.473 ( -4.307 -4.527 4.034) 7.438 4.700 ( 5.747 6.877 -1.165) 9.038 5.596 ( -0.280 -3.949 -1.196) 4.136 6.479 ( 4.492 -13.493 11.959) 18.581 6.878 ( 0.633 -3.233 1.379) 3.571 7.309 ( 8.210 -4.358 1.180) 9.369 7.673 ( -6.299 4.450 2.851) 8.223 7.948 ( 0.062 -1.282 -3.720) 3.936 8.124 ( -6.195 -1.748 -1.868) 6.703 8.724 ( 2.430 16.831 -11.614) 20.593 13.337 ( -6.678 -3.628 5.945) 9.649 13.814 ( -0.051 16.794 14.173) 21.975 15.908 ( 8.212 2.885 -8.456) 12.135 16.115 ( 0.185 0.029 0.185) 0.263 17.390 ( 0.295 -2.924 -2.827) 4.078 17.938 ( -1.549 -11.834 1.315) 12.007 ======================= Grid point 159 (77/226) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -9.531 -3.110 19.044) 21.522 0.884 ( 16.114 -4.093 21.976) 27.556 1.975 ( -2.971 15.794 15.506) 22.332 2.795 ( -0.119 1.726 -6.439) 6.667 2.881 ( -0.301 -2.211 -1.796) 2.865 3.411 ( -3.270 -4.479 -5.206) 7.606 3.474 ( 0.021 0.629 0.933) 1.125 3.748 ( 0.095 -4.781 1.198) 4.930 4.417 ( -1.722 -1.521 1.996) 3.043 4.836 ( 1.860 7.350 0.420) 7.593 5.557 ( 3.104 -6.904 -2.502) 7.973 6.407 ( -1.573 -15.688 10.385) 18.880 6.800 ( -2.772 -6.265 -1.865) 7.100 7.463 ( 9.931 -1.222 2.079) 10.219 7.575 ( -9.905 2.281 2.395) 10.443 7.842 ( -3.716 -2.135 -2.056) 4.753 8.186 ( 5.614 7.141 0.035) 9.084 8.861 ( 0.658 15.593 -9.510) 18.276 13.278 ( -0.092 -3.726 6.233) 7.262 14.121 ( 2.031 21.629 15.335) 26.591 16.027 ( 3.195 5.534 -9.243) 11.237 16.092 ( -0.883 2.800 -3.254) 4.382 17.317 ( -1.146 -6.813 -2.886) 7.488 17.756 ( -2.599 -17.118 3.198) 17.607 ======================= Grid point 160 (78/226) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 5.267 6.490 7.104) 10.970 1.281 ( 19.621 -5.898 19.745) 28.454 2.084 ( -5.936 5.434 6.337) 10.243 2.727 ( -6.515 6.597 -4.002) 10.099 2.818 ( -2.653 -2.465 1.424) 3.891 3.279 ( -2.659 -7.304 -3.892) 8.693 3.485 ( 0.222 -2.971 -0.576) 3.034 3.814 ( 11.294 -1.961 0.675) 11.483 4.388 ( -1.640 1.073 -0.866) 2.143 4.909 ( -1.435 5.481 2.807) 6.323 5.523 ( 4.056 -8.506 -5.085) 10.708 6.326 ( 0.243 -9.272 9.098) 12.992 6.663 ( -2.918 -7.863 -3.688) 9.162 7.424 ( -12.160 2.339 5.901) 13.717 7.603 ( 7.862 -3.701 -2.589) 9.067 7.810 ( 0.714 1.798 -0.399) 1.975 8.364 ( 5.489 6.464 4.328) 9.521 8.913 ( -4.488 13.095 -8.526) 16.258 13.338 ( 6.641 -3.439 6.274) 9.762 14.454 ( -0.429 23.263 13.974) 27.141 15.938 ( -9.102 6.505 -9.718) 14.819 16.139 ( 0.586 1.327 -0.217) 1.466 17.206 ( 1.028 -10.072 -2.558) 10.442 17.601 ( 1.618 -14.714 0.162) 14.804 ======================= Grid point 161 (79/226) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 14.000 10.142 -3.150) 17.572 1.648 ( 17.371 -6.338 15.423) 24.079 1.955 ( -7.870 -6.558 -4.237) 11.086 2.643 ( -7.233 4.679 -4.195) 9.581 2.827 ( -2.066 6.621 6.723) 9.660 3.123 ( -5.408 -8.931 1.801) 10.595 3.475 ( 4.623 -3.405 -2.605) 6.305 3.951 ( 6.618 -5.930 -4.126) 9.797 4.430 ( 4.207 7.236 -0.107) 8.371 4.948 ( -1.112 2.808 5.171) 5.988 5.452 ( 2.242 -8.392 -8.605) 12.227 6.325 ( -0.839 -2.424 6.238) 6.745 6.524 ( 0.464 -9.561 -3.908) 10.340 7.291 ( -10.744 2.116 8.043) 13.587 7.648 ( 5.712 -5.313 -3.088) 8.389 7.854 ( 1.315 2.534 -1.541) 3.245 8.547 ( 4.838 5.241 8.004) 10.721 8.868 ( -9.043 11.312 -6.859) 16.025 13.505 ( 11.901 -3.237 6.313) 13.855 14.680 ( -7.591 20.257 6.961) 22.725 15.797 ( -8.065 7.348 -5.034) 12.016 16.103 ( -6.035 -2.573 6.179) 9.012 17.152 ( 4.705 -7.147 -3.487) 9.240 17.514 ( 5.040 -12.088 -4.993) 14.016 ======================= Grid point 162 (80/226) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 16.649 8.866 -7.583) 20.330 1.680 ( -7.161 -11.742 -8.711) 16.280 1.929 ( 12.241 -5.295 9.273) 16.244 2.537 ( -7.245 3.475 -3.078) 8.605 2.901 ( -6.793 8.160 10.217) 14.735 2.970 ( -1.919 -6.744 0.737) 7.050 3.540 ( 8.094 -2.658 -3.462) 9.196 3.886 ( 0.703 -9.145 -5.779) 10.841 4.621 ( 4.787 9.551 0.965) 10.727 5.001 ( 0.416 1.409 6.075) 6.250 5.347 ( 2.870 -6.258 -11.378) 13.299 6.283 ( -4.098 -2.252 2.375) 5.244 6.468 ( 3.033 -5.227 -2.873) 6.691 7.203 ( -7.309 0.066 8.839) 11.469 7.671 ( 5.142 -4.808 -2.937) 7.627 7.874 ( 0.609 0.780 -1.417) 1.728 8.701 ( -1.893 3.583 4.155) 5.804 8.778 ( -5.752 9.846 0.699) 11.425 13.739 ( 14.244 -3.115 5.962) 15.753 14.639 ( -15.839 10.930 -3.409) 19.544 15.795 ( -2.998 9.965 5.102) 11.590 15.982 ( -9.037 -3.608 8.962) 13.229 17.165 ( 4.346 -2.760 -3.047) 5.983 17.472 ( 8.109 -9.816 -9.652) 15.977 ======================= Grid point 163 (81/226) ======================= q-point: (-0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -7.043 -10.923 -8.558) 15.562 1.637 ( 15.839 5.467 -8.186) 18.649 2.075 ( 5.627 -4.151 2.600) 7.460 2.427 ( -7.193 2.674 -1.541) 7.828 2.820 ( -7.882 -1.472 8.997) 12.052 2.995 ( -0.261 5.112 0.898) 5.196 3.616 ( 6.040 -5.744 -4.273) 9.367 3.803 ( 4.395 -5.608 -4.401) 8.375 4.721 ( -2.397 5.088 1.723) 5.883 5.002 ( -4.051 0.208 -0.020) 4.057 5.383 ( 11.175 1.521 -7.131) 13.344 6.204 ( -2.759 -3.679 1.208) 4.754 6.458 ( 0.661 0.669 -3.362) 3.491 7.136 ( -4.583 -4.415 7.703) 9.992 7.689 ( 3.924 -2.550 -4.541) 6.520 7.894 ( 2.254 -0.932 1.415) 2.819 8.574 ( -12.993 5.361 -0.581) 14.067 8.907 ( 3.605 3.809 7.686) 9.305 13.956 ( 8.939 -1.593 0.842) 9.119 14.402 ( -13.882 1.645 -1.140) 14.025 15.784 ( -8.964 -3.542 8.288) 12.712 15.972 ( -1.487 10.652 8.849) 13.928 17.192 ( 2.791 -0.802 -2.841) 4.063 17.480 ( 9.574 -5.997 -11.549) 16.156 ======================= Grid point 164 (82/226) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -8.371 -4.724 -3.510) 10.233 1.853 ( 9.707 0.091 -4.517) 10.707 2.042 ( -6.543 0.611 -6.479) 9.228 2.371 ( 0.002 -0.595 2.766) 2.829 2.759 ( -5.811 2.651 7.751) 10.044 3.050 ( 3.026 2.574 -0.842) 4.061 3.547 ( 0.326 -10.881 -3.754) 11.515 3.883 ( 7.436 2.402 -4.615) 9.075 4.701 ( -4.107 2.796 1.641) 5.232 4.915 ( -4.783 -1.664 -0.552) 5.094 5.579 ( 9.910 7.476 -7.094) 14.298 6.132 ( -3.360 -2.494 1.890) 4.592 6.476 ( 2.125 3.364 -3.727) 5.451 7.054 ( -2.000 -9.264 6.786) 11.656 7.703 ( 3.037 0.341 -5.917) 6.659 7.944 ( 2.851 -1.297 2.428) 3.963 8.401 ( -12.418 2.734 3.238) 13.121 9.032 ( 3.492 0.867 5.393) 6.483 13.893 ( -11.017 3.427 -12.602) 17.086 14.328 ( 0.749 -7.154 15.608) 17.185 15.660 ( -4.858 -4.427 6.954) 9.569 16.104 ( -0.961 8.553 6.304) 10.668 17.212 ( 2.995 -0.141 -4.196) 5.157 17.530 ( 8.005 -0.976 -10.073) 12.903 ======================= Grid point 165 (83/226) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -9.624 6.905 6.171) 13.356 1.804 ( -16.357 5.889 -12.945) 21.675 1.902 ( -0.501 -6.545 4.009) 7.691 2.422 ( 3.672 -2.778 5.554) 7.214 2.771 ( -1.431 3.469 3.844) 5.372 3.152 ( 10.258 -1.633 -4.628) 11.372 3.422 ( -1.574 -5.934 -1.495) 6.319 3.995 ( 3.198 6.676 -4.154) 8.488 4.679 ( -4.297 3.911 -0.781) 5.863 4.799 ( -3.993 -5.922 2.918) 7.716 5.741 ( 4.902 9.282 -9.755) 14.330 6.068 ( -4.527 0.013 4.558) 6.425 6.553 ( 5.367 3.527 -3.680) 7.402 6.991 ( 2.296 -11.725 6.866) 13.780 7.735 ( 3.419 2.873 -6.023) 7.498 7.961 ( -1.993 0.171 -0.112) 2.003 8.271 ( -7.434 -0.678 7.698) 10.723 9.103 ( 2.872 -2.318 1.716) 4.071 13.652 ( -12.129 4.961 -9.834) 16.384 14.314 ( -6.858 -8.975 17.590) 20.905 15.652 ( 4.340 -4.411 6.309) 8.837 16.163 ( -1.052 1.877 0.934) 2.346 17.247 ( 3.737 1.507 -4.640) 6.145 17.603 ( 5.350 3.757 -7.566) 9.999 ======================= Grid point 166 (84/226) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -9.041 17.273 14.800) 24.478 1.453 ( -22.258 8.442 -15.104) 28.193 1.786 ( -9.343 -10.005 12.266) 18.381 2.506 ( 5.397 -2.090 5.869) 8.243 2.764 ( -0.042 -5.644 -2.127) 6.031 3.279 ( 11.653 -3.138 -6.819) 13.862 3.436 ( 3.047 5.672 2.796) 7.019 4.066 ( -2.109 9.235 -2.460) 9.787 4.540 ( -9.310 -1.700 -2.576) 9.808 4.773 ( 1.443 -3.599 3.375) 5.140 5.787 ( -1.585 5.832 -8.398) 10.347 6.064 ( -2.108 3.921 7.808) 8.988 6.661 ( 6.307 1.656 -3.106) 7.223 7.005 ( 7.505 -9.746 5.510) 13.478 7.801 ( 4.237 2.444 -4.218) 6.459 7.882 ( -7.138 3.720 -1.722) 8.231 8.229 ( -2.521 -2.252 8.448) 9.100 9.096 ( 1.273 -5.615 -3.646) 6.815 13.487 ( -9.043 7.669 -4.794) 12.789 14.141 ( -14.391 -9.039 16.296) 23.545 15.775 ( 9.724 -5.100 6.749) 12.888 16.114 ( -0.887 -5.492 -5.042) 7.508 17.310 ( 3.859 2.775 -3.539) 5.926 17.698 ( 3.830 7.986 -4.867) 10.106 ======================= Grid point 169 (85/226) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -15.055 9.440 -0.887) 17.792 1.260 ( -18.401 -8.873 19.434) 28.196 2.034 ( -0.867 13.318 13.348) 18.876 2.548 ( 7.737 1.202 -2.916) 8.355 2.790 ( 5.720 -2.044 1.708) 6.309 3.388 ( 6.020 -9.154 -6.105) 12.542 3.739 ( -8.894 7.406 -9.732) 15.121 3.856 ( -6.101 -3.686 6.043) 9.345 4.577 ( -5.673 0.180 2.769) 6.315 4.638 ( 6.399 5.060 1.813) 8.357 5.549 ( -2.948 -6.282 -4.944) 8.520 6.359 ( 3.802 -8.642 4.462) 10.442 6.852 ( 0.265 -2.744 2.796) 3.927 7.147 ( 8.618 -2.432 3.377) 9.570 7.871 ( -7.247 5.378 3.663) 9.740 7.886 ( 3.208 1.929 -3.606) 5.198 8.195 ( -6.853 -5.833 0.294) 9.005 8.730 ( 5.840 11.483 -7.635) 14.975 13.498 ( -11.665 -3.172 5.686) 13.359 14.066 ( 0.296 16.490 12.860) 20.914 15.744 ( 7.428 2.137 -7.507) 10.775 16.071 ( 5.085 -2.770 5.016) 7.661 17.336 ( 0.350 -2.697 -3.537) 4.462 17.870 ( -2.319 -7.685 -3.741) 8.856 ======================= Grid point 170 (86/226) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 2.151 2.971 12.474) 13.002 1.009 ( -15.945 -6.078 21.033) 27.084 2.199 ( -0.370 7.128 7.591) 10.419 2.688 ( 7.331 2.005 -2.157) 7.901 2.841 ( 2.167 -2.088 -0.499) 3.051 3.329 ( 2.984 -6.356 -7.514) 10.285 3.580 ( -8.619 5.032 -6.435) 11.875 3.747 ( -5.492 -8.023 4.737) 10.816 4.502 ( -5.538 1.726 4.201) 7.162 4.838 ( 6.808 7.776 0.434) 10.344 5.407 ( 0.202 -11.465 -4.307) 12.249 6.324 ( 0.985 -12.175 6.292) 13.741 6.777 ( -3.093 -6.592 -1.230) 7.385 7.312 ( 8.748 0.262 2.940) 9.233 7.754 ( -5.254 -0.005 -2.877) 5.990 7.922 ( -7.939 1.398 6.146) 10.137 8.162 ( 4.877 7.634 -2.149) 9.310 8.908 ( 4.521 12.407 -5.409) 14.270 13.339 ( -6.720 -3.717 6.246) 9.898 14.383 ( 3.869 22.168 14.197) 26.607 15.885 ( 9.662 5.375 -8.280) 13.812 16.124 ( 0.379 0.187 0.873) 0.970 17.260 ( -2.033 -6.121 -3.718) 7.445 17.669 ( -4.815 -15.225 -1.163) 16.011 ======================= Grid point 171 (87/226) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -6.945 -0.229 16.484) 17.889 1.054 ( 13.369 -3.784 17.884) 22.647 2.189 ( -4.158 -5.518 -3.970) 7.969 2.796 ( 2.872 3.040 1.905) 4.596 2.823 ( -1.002 -0.931 -1.314) 1.896 3.293 ( -1.903 4.877 -8.721) 10.172 3.504 ( -4.324 -0.384 1.927) 4.750 3.618 ( 3.697 -10.025 2.141) 10.897 4.460 ( -4.256 2.720 0.975) 5.144 4.985 ( 0.756 5.905 1.983) 6.275 5.300 ( 5.269 -13.182 -4.164) 14.794 6.274 ( 1.400 -8.942 7.893) 12.010 6.629 ( -4.342 -7.124 -3.790) 9.163 7.447 ( 6.326 -1.614 -0.494) 6.548 7.666 ( -7.339 3.082 1.184) 8.047 7.839 ( -4.035 0.694 3.227) 5.213 8.353 ( 6.475 8.823 1.268) 11.017 9.032 ( -0.137 11.425 -5.067) 12.499 13.285 ( 0.057 -3.570 6.438) 7.362 14.764 ( 2.492 24.907 13.167) 28.283 16.028 ( 3.374 6.157 -8.984) 11.402 16.112 ( -0.414 3.094 -2.852) 4.229 17.095 ( -3.681 -13.343 -0.382) 13.847 17.456 ( -1.318 -14.850 -0.765) 14.928 ======================= Grid point 172 (88/226) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 3.869 4.692 6.615) 8.986 1.378 ( 17.280 -6.943 16.006) 24.557 1.941 ( -6.786 -13.208 -10.759) 18.337 2.751 ( -4.824 1.065 -3.070) 5.816 2.897 ( 2.218 3.379 2.207) 4.605 3.246 ( -8.451 4.847 4.323) 10.659 3.392 ( -0.903 -4.682 -1.484) 4.994 3.729 ( 10.704 -4.413 -2.272) 11.799 4.445 ( 0.171 4.143 -0.194) 4.152 5.009 ( -1.151 -1.847 4.522) 5.019 5.266 ( 4.531 -7.125 -5.670) 10.171 6.308 ( 3.890 -3.539 7.215) 8.928 6.452 ( -4.664 -7.658 -4.654) 10.103 7.483 ( 0.855 -3.897 -0.215) 3.996 7.570 ( -7.741 2.941 4.533) 9.440 7.847 ( 1.190 2.954 -2.555) 4.083 8.548 ( 5.828 5.847 4.357) 9.335 9.062 ( -5.217 10.267 -4.505) 12.366 13.349 ( 6.779 -3.498 6.428) 9.975 15.051 ( -5.797 23.039 5.691) 24.430 15.974 ( -6.893 7.476 -4.936) 11.303 16.166 ( 0.787 1.692 -0.242) 1.882 16.944 ( 4.044 -15.363 1.546) 15.961 17.318 ( 1.365 -11.596 -3.761) 12.267 ======================= Grid point 173 (89/226) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 11.075 6.025 -2.353) 12.825 1.602 ( -1.844 -12.660 -5.896) 14.087 1.700 ( 11.335 -7.564 6.342) 15.031 2.656 ( -5.638 1.937 -2.670) 6.532 2.935 ( -0.422 -2.480 0.124) 2.519 3.173 ( -7.628 4.842 9.321) 12.981 3.400 ( 3.215 1.250 -3.362) 4.817 3.755 ( 2.024 -7.047 -4.360) 8.531 4.591 ( 8.716 7.499 1.059) 11.547 5.008 ( 2.319 -5.527 6.406) 8.773 5.211 ( -0.454 -2.968 -7.842) 8.397 6.280 ( -2.624 -8.032 -4.366) 9.511 6.400 ( 3.132 0.650 5.189) 6.096 7.389 ( -8.370 -1.774 4.693) 9.758 7.555 ( 1.556 -1.223 0.191) 1.988 7.873 ( 0.597 3.351 -4.192) 5.399 8.712 ( 4.913 2.242 5.526) 7.727 9.009 ( -8.815 8.696 -3.198) 12.789 13.517 ( 12.012 -3.477 6.220) 13.966 15.014 ( -18.000 12.939 -7.556) 23.420 15.983 ( -3.083 9.797 6.195) 11.995 16.136 ( -5.835 -1.143 6.258) 8.632 16.969 ( 11.711 -8.072 -1.933) 14.354 17.220 ( 2.829 -9.168 -6.324) 11.492 ======================= Grid point 174 (90/226) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 2.790 -1.101 -4.616) 5.505 1.393 ( 6.022 0.391 -7.836) 9.891 1.898 ( 11.332 -6.864 5.153) 14.215 2.562 ( -6.540 1.818 -1.181) 6.890 2.867 ( -1.439 -4.949 1.075) 5.265 3.191 ( -7.388 9.393 6.714) 13.707 3.435 ( 5.134 -3.854 -4.509) 7.845 3.689 ( 1.437 -3.688 -2.555) 4.711 4.778 ( 2.407 4.331 0.946) 5.044 5.066 ( -1.976 -1.090 2.897) 3.673 5.156 ( 10.134 -1.124 -5.092) 11.397 6.164 ( -0.048 -6.492 -2.183) 6.849 6.471 ( 0.372 2.906 1.886) 3.484 7.247 ( -8.383 -3.518 3.639) 9.793 7.577 ( 3.051 -2.126 -0.893) 3.825 7.890 ( 0.339 3.248 -2.218) 3.947 8.786 ( -3.890 1.273 2.783) 4.950 8.939 ( -2.959 3.883 0.636) 4.923 13.746 ( 13.881 -3.156 5.115) 15.126 14.700 ( -20.285 4.671 -9.085) 22.712 15.963 ( -9.368 -3.802 8.922) 13.484 16.148 ( -1.878 8.499 6.384) 10.794 17.110 ( 7.224 0.128 -0.998) 7.294 17.173 ( 8.822 -6.446 -8.867) 14.072 ======================= Grid point 175 (91/226) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -6.121 5.643 2.959) 8.836 1.616 ( 14.301 2.403 -7.433) 16.296 2.000 ( 5.605 -4.700 0.064) 7.316 2.453 ( -6.957 1.346 -0.849) 7.136 2.838 ( 1.223 -2.118 1.453) 2.845 3.121 ( -9.437 0.472 2.861) 9.872 3.455 ( 2.238 -2.468 -0.573) 3.381 3.742 ( 7.289 2.862 -3.563) 8.603 4.788 ( -2.758 0.684 1.154) 3.067 4.972 ( -4.497 -1.499 -2.503) 5.361 5.415 ( 14.209 5.429 -0.896) 15.237 6.121 ( 1.316 -4.001 0.481) 4.240 6.498 ( -1.368 4.688 -1.097) 5.005 7.082 ( -7.013 -6.883 2.614) 10.168 7.606 ( 3.535 -1.379 -1.792) 4.197 7.927 ( 1.267 2.718 0.019) 2.999 8.660 ( -12.172 2.298 2.204) 12.582 8.979 ( 3.935 -3.050 1.602) 5.230 13.933 ( 5.627 0.362 -2.019) 5.989 14.396 ( -11.019 -2.207 1.819) 11.384 15.798 ( -10.165 -4.775 8.011) 13.795 16.201 ( -1.137 1.634 0.519) 2.057 17.139 ( 2.521 0.289 -3.221) 4.100 17.333 ( 10.974 3.700 -4.147) 12.301 ======================= Grid point 176 (92/226) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -6.778 14.665 10.227) 19.121 1.786 ( 8.542 -1.301 -3.970) 9.509 1.981 ( -4.991 1.680 -6.665) 8.494 2.384 ( -0.340 -1.306 2.535) 2.871 2.875 ( 0.166 1.585 3.513) 3.858 2.957 ( -2.381 -9.774 -3.112) 10.530 3.461 ( -2.175 4.018 2.591) 5.253 3.908 ( 9.217 5.557 -4.922) 11.834 4.763 ( -2.049 1.562 2.245) 3.417 4.851 ( -5.911 -4.011 -0.971) 7.210 5.667 ( 8.969 8.495 -5.356) 13.464 6.122 ( 0.496 -1.892 3.414) 3.935 6.524 ( 0.410 5.950 -3.234) 6.784 6.926 ( -3.381 -9.984 4.264) 11.371 7.653 ( 4.083 0.437 -1.866) 4.510 7.971 ( 0.831 1.970 -0.710) 2.253 8.488 ( -11.772 0.597 5.488) 13.002 9.002 ( 4.015 -6.741 -1.268) 7.948 13.858 ( -10.671 6.967 -9.318) 15.787 14.355 ( 2.106 -9.310 15.031) 17.806 15.658 ( -5.337 -4.202 6.390) 9.326 16.143 ( -0.757 -6.179 -5.856) 8.547 17.189 ( 3.035 3.102 -2.089) 4.816 17.524 ( 7.019 8.133 -2.602) 11.053 ======================= Grid point 177 (93/226) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -6.811 18.143 13.065) 23.372 1.780 ( -15.958 7.169 -11.038) 20.685 1.829 ( 0.852 -5.037 2.813) 5.832 2.438 ( 4.662 -2.860 5.980) 8.104 2.731 ( -5.881 -10.241 -0.993) 11.851 3.016 ( 10.889 -0.443 -3.366) 11.406 3.516 ( -0.720 8.668 3.477) 9.367 4.076 ( 6.585 6.630 -4.446) 10.348 4.669 ( -9.474 -5.114 -0.936) 10.807 4.773 ( -0.940 1.059 3.581) 3.851 5.799 ( 2.042 7.788 -9.068) 12.126 6.144 ( 0.552 0.170 4.798) 4.833 6.594 ( 2.865 5.681 -2.452) 6.819 6.850 ( 2.876 -10.275 6.217) 12.349 7.733 ( 4.416 2.159 -0.275) 4.923 7.967 ( -2.076 2.017 -3.989) 4.929 8.363 ( -7.903 -0.673 9.250) 12.185 8.961 ( 2.738 -9.446 -5.352) 11.197 13.712 ( -10.065 9.940 -4.658) 14.893 14.329 ( -6.252 -10.329 15.310) 19.498 15.642 ( 3.921 -4.027 5.563) 7.908 16.000 ( -0.395 -10.408 -9.037) 13.789 17.264 ( 3.097 3.407 -1.843) 4.959 17.696 ( 4.406 10.099 -2.151) 11.226 ======================= Grid point 180 (94/226) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -19.939 10.321 -6.295) 23.318 1.559 ( -12.782 -6.612 13.942) 20.037 2.168 ( 1.014 2.465 2.823) 3.882 2.454 ( 5.783 4.907 1.894) 7.817 2.681 ( 6.092 -1.543 1.829) 6.545 3.159 ( 6.617 -7.668 -4.208) 10.968 3.841 ( -1.529 3.999 -5.901) 7.290 3.973 ( -11.538 -5.712 0.023) 12.875 4.538 ( 8.245 6.837 0.657) 10.731 4.755 ( -6.884 0.260 4.445) 8.198 5.531 ( -6.362 -4.744 -7.646) 11.020 6.226 ( 4.494 -5.844 -0.653) 7.401 6.834 ( 0.616 -3.111 -0.667) 3.241 7.024 ( 7.377 -1.237 9.511) 12.100 7.788 ( 1.690 -3.419 -6.499) 7.536 8.088 ( -3.280 8.095 4.332) 9.750 8.264 ( -7.004 -3.006 3.760) 8.499 8.671 ( 7.865 7.812 -3.021) 11.489 13.725 ( -14.136 -3.046 5.517) 15.477 14.246 ( 3.712 12.799 6.754) 14.940 15.636 ( 4.378 3.966 -2.490) 6.411 15.960 ( 8.403 -4.026 7.945) 12.245 17.286 ( -0.080 -2.121 -3.716) 4.280 17.816 ( -2.983 -5.575 -7.598) 9.885 ======================= Grid point 181 (95/226) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -11.584 8.174 1.359) 14.243 1.352 ( -15.735 -5.315 17.835) 24.370 2.183 ( 3.053 -5.891 -5.162) 8.407 2.640 ( 5.128 6.491 5.855) 10.135 2.763 ( 4.500 -0.925 -1.094) 4.722 3.148 ( 5.236 -5.892 -5.194) 9.440 3.724 ( -9.882 -0.204 -5.698) 11.409 3.796 ( -3.997 -3.928 -0.228) 5.609 4.660 ( -6.968 1.674 3.648) 8.041 4.777 ( 9.154 7.787 1.270) 12.085 5.315 ( -5.848 -10.205 -4.125) 12.465 6.219 ( 2.537 -8.178 2.247) 8.852 6.760 ( -2.848 -6.250 -0.847) 6.920 7.199 ( 7.928 0.534 4.666) 9.214 7.730 ( 0.451 -4.025 -4.961) 6.404 8.119 ( -2.533 -2.238 -0.550) 3.425 8.208 ( -4.820 13.662 6.560) 15.904 8.887 ( 7.952 9.567 -1.802) 12.570 13.501 ( -11.813 -3.567 6.013) 13.727 14.555 ( 8.758 18.290 7.868) 21.751 15.768 ( 6.041 7.073 -2.386) 9.603 16.086 ( 4.921 -2.431 5.559) 7.812 17.219 ( -1.785 -4.078 -4.127) 6.070 17.600 ( -5.980 -12.883 -6.682) 15.696 ======================= Grid point 182 (96/226) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 1.268 2.224 9.808) 10.137 1.162 ( -13.791 -3.645 18.489) 23.352 2.063 ( 0.340 -14.233 -12.139) 18.710 2.777 ( 2.947 -1.046 1.751) 3.584 2.817 ( 2.543 3.304 2.152) 4.692 3.228 ( 8.502 4.739 -4.188) 10.596 3.538 ( -5.248 -5.940 -1.892) 8.149 3.662 ( -8.751 0.025 -0.668) 8.777 4.579 ( -6.024 1.640 0.723) 6.285 5.008 ( 7.964 6.870 0.249) 10.520 5.102 ( -3.554 -13.425 0.546) 13.898 6.203 ( 2.433 -7.105 5.355) 9.224 6.619 ( -4.698 -6.474 -3.099) 8.578 7.340 ( 5.829 -0.008 0.989) 5.913 7.693 ( 1.421 -0.472 -3.545) 3.848 8.013 ( -8.362 -1.245 5.595) 10.137 8.360 ( 3.429 11.718 0.227) 12.211 9.077 ( 4.342 9.358 -1.950) 10.499 13.346 ( -6.583 -3.555 6.444) 9.874 14.968 ( 10.065 22.570 6.512) 25.556 15.931 ( 6.354 7.236 -2.999) 10.086 16.142 ( 0.476 0.148 1.361) 1.450 17.068 ( -6.862 -9.754 -2.194) 12.126 17.334 ( -3.083 -14.795 -4.125) 15.666 ======================= Grid point 183 (97/226) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -6.365 -1.474 14.523) 15.925 1.163 ( 10.162 -4.698 12.674) 16.911 1.799 ( -2.987 -15.817 -13.543) 21.036 2.786 ( -0.285 -0.505 -1.537) 1.642 2.903 ( 1.523 3.011 1.220) 3.588 3.376 ( -2.953 -2.153 -2.213) 4.273 3.433 ( 3.638 2.861 0.463) 4.651 3.558 ( -1.663 1.758 1.784) 3.007 4.498 ( -3.838 0.721 -1.312) 4.119 4.955 ( 0.991 -13.954 3.484) 14.417 5.165 ( 3.128 5.416 -1.091) 6.349 6.243 ( 3.991 -3.654 6.195) 8.225 6.445 ( -5.283 -6.106 -4.341) 9.167 7.404 ( 2.856 -1.751 -0.225) 3.358 7.715 ( 0.472 2.293 -1.046) 2.565 7.895 ( -7.221 0.173 2.905) 7.785 8.529 ( 5.072 6.963 0.534) 8.631 9.182 ( -0.611 8.272 -2.654) 8.709 13.295 ( 0.068 -3.653 6.537) 7.488 15.351 ( 2.373 24.458 -0.580) 24.580 16.067 ( 2.936 5.771 -1.950) 6.762 16.142 ( 0.034 3.279 -2.079) 3.882 16.801 ( -5.519 -19.740 5.206) 21.147 17.178 ( 0.437 -9.239 -3.866) 10.025 ======================= Grid point 184 (98/226) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 1.948 0.323 5.856) 6.180 1.382 ( 13.168 -9.582 9.720) 18.966 1.553 ( -1.832 -7.987 -7.394) 11.037 2.735 ( -3.899 0.803 -2.373) 4.635 2.937 ( -0.678 0.786 -0.511) 1.157 3.242 ( -1.735 -5.875 -1.222) 6.247 3.522 ( -4.863 11.240 5.397) 13.384 3.624 ( 4.940 -3.087 -1.888) 6.123 4.514 ( 5.900 2.858 0.399) 6.568 4.896 ( 3.364 -11.411 4.641) 12.770 5.205 ( -1.368 2.647 -3.074) 4.281 6.226 ( -3.332 -6.211 -4.527) 8.377 6.385 ( 3.545 0.193 5.304) 6.383 7.412 ( 0.655 -2.939 0.534) 3.058 7.676 ( -8.605 1.379 4.642) 9.874 7.855 ( 1.556 3.059 -5.486) 6.472 8.667 ( 5.125 1.963 1.931) 5.818 9.184 ( -5.301 6.314 -3.401) 8.918 13.357 ( 6.773 -3.763 6.354) 10.021 15.383 ( -16.220 14.909 -14.509) 26.379 16.135 ( -1.055 3.904 4.791) 6.270 16.224 ( 1.157 6.897 1.526) 7.158 16.658 ( 8.656 -17.133 6.072) 20.133 17.100 ( 0.853 -4.945 -2.719) 5.708 ======================= Grid point 185 (99/226) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 9.089 1.150 -2.198) 9.421 1.403 ( -1.986 1.890 0.555) 2.798 1.639 ( 13.457 -8.000 6.148) 16.820 2.662 ( -4.433 1.190 -1.143) 4.730 2.869 ( -4.013 -3.492 -0.475) 5.341 3.245 ( 5.845 1.403 -4.195) 7.330 3.485 ( -8.795 -1.689 3.576) 9.643 3.660 ( 0.113 4.939 1.565) 5.183 4.726 ( 9.441 5.019 -0.196) 10.694 4.920 ( 9.204 -7.455 6.819) 13.667 5.140 ( -4.745 -0.090 -4.466) 6.517 6.097 ( -1.297 -4.621 -3.710) 6.067 6.490 ( 2.784 2.204 3.935) 5.300 7.353 ( -5.344 -4.225 1.576) 6.993 7.579 ( -4.610 1.421 0.746) 4.882 7.894 ( 1.765 4.093 -3.987) 5.980 8.762 ( 4.613 -2.496 2.787) 5.939 9.090 ( -8.516 3.451 -3.831) 9.955 13.520 ( 11.979 -3.784 5.968) 13.908 15.040 ( -21.844 5.690 -15.200) 27.214 16.114 ( -6.046 -3.321 7.041) 9.857 16.244 ( -1.865 -1.190 -0.714) 2.325 16.857 ( 16.267 2.223 3.551) 16.798 17.079 ( 1.171 -0.721 -0.520) 1.470 ======================= Grid point 186 (100/226) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 12.825 1.342 -7.893) 15.119 1.470 ( -2.171 12.711 8.566) 15.481 1.802 ( 11.018 -7.023 2.698) 13.342 2.578 ( -6.535 0.967 -1.127) 6.702 2.791 ( -0.130 -2.986 -0.884) 3.117 3.260 ( -6.195 -8.651 -0.166) 10.642 3.412 ( 3.869 7.301 -0.669) 8.290 3.720 ( -1.078 6.480 2.067) 6.886 4.808 ( 1.226 -0.935 0.569) 1.644 5.007 ( -5.091 -3.373 -3.983) 7.291 5.202 ( 16.992 3.627 5.208) 18.139 6.056 ( 1.779 -1.921 -1.166) 2.866 6.558 ( 0.014 3.449 1.378) 3.714 7.174 ( -9.503 -5.365 -0.396) 10.920 7.565 ( 0.334 1.622 -0.131) 1.661 7.940 ( 0.966 3.931 -1.596) 4.351 8.805 ( 2.131 -4.884 3.228) 6.230 8.930 ( -8.125 -0.910 -4.068) 9.132 13.743 ( 13.640 -3.214 4.795) 14.811 14.640 ( -18.870 1.479 -9.801) 21.315 15.976 ( -10.008 -5.193 8.100) 13.883 16.158 ( 0.031 -7.709 -7.508) 10.761 17.113 ( 1.440 2.775 1.055) 3.300 17.194 ( 12.546 9.876 2.830) 16.215 ======================= Grid point 187 (101/226) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 9.296 3.923 -5.845) 11.661 1.648 ( 0.184 13.592 8.479) 16.020 1.914 ( 7.459 -3.668 0.171) 8.314 2.456 ( -6.727 0.666 -1.937) 7.031 2.777 ( 2.294 -4.321 -1.984) 5.280 3.042 ( -8.925 -7.769 3.397) 12.311 3.560 ( 1.898 8.489 1.066) 8.763 3.804 ( 4.385 7.268 -2.415) 8.825 4.810 ( -1.362 -0.961 2.407) 2.928 4.874 ( -2.725 -4.907 -2.170) 6.018 5.536 ( 13.100 6.620 0.862) 14.702 6.088 ( 2.687 -0.460 1.237) 2.993 6.585 ( -1.385 5.294 -1.334) 5.633 6.955 ( -7.953 -7.237 0.094) 10.753 7.609 ( 2.103 2.716 0.785) 3.524 7.978 ( 0.351 3.064 -1.666) 3.505 8.718 ( -11.309 -0.192 3.653) 11.886 8.823 ( 4.858 -10.826 -3.704) 12.431 13.931 ( 5.891 0.960 -0.316) 5.977 14.362 ( -7.712 -3.199 0.865) 8.394 15.796 ( -10.067 -4.878 6.625) 13.001 16.009 ( -0.104 -11.083 -9.713) 14.737 17.180 ( 1.805 3.717 0.881) 4.225 17.492 ( 8.050 11.988 1.498) 14.518 ======================= Grid point 188 (102/226) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 6.612 3.031 -2.383) 7.654 1.802 ( -2.886 12.230 6.595) 14.191 1.953 ( -2.512 2.755 -4.479) 5.828 2.386 ( 0.332 -1.661 2.382) 2.923 2.682 ( -2.640 -12.535 -2.540) 13.059 2.932 ( -0.804 0.096 2.801) 2.916 3.653 ( -1.681 9.518 2.975) 10.113 3.973 ( 8.451 7.771 -5.438) 12.704 4.714 ( -4.394 -8.329 0.992) 9.469 4.845 ( -1.261 1.839 2.673) 3.481 5.755 ( 5.935 7.580 -6.545) 11.641 6.132 ( 1.617 -1.251 2.907) 3.554 6.617 ( 0.779 7.018 -4.749) 8.510 6.800 ( -3.004 -8.280 6.875) 11.174 7.702 ( 3.535 4.562 2.686) 6.366 7.979 ( -1.024 1.742 -4.669) 5.087 8.559 ( -9.373 -1.693 7.027) 11.836 8.760 ( 3.853 -12.022 -5.474) 13.760 13.931 ( -6.743 8.178 -3.667) 11.216 14.327 ( 2.892 -9.145 9.150) 13.256 15.653 ( -5.143 -3.995 5.682) 8.643 15.833 ( -0.149 -11.591 -9.119) 14.748 17.249 ( 1.836 3.323 -0.240) 3.804 17.715 ( 4.612 10.978 -0.590) 11.922 ======================= Grid point 191 (103/226) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -19.003 8.682 -6.491) 21.877 1.711 ( -3.478 -3.013 5.274) 7.000 2.075 ( 3.396 -8.519 -7.834) 12.061 2.475 ( 4.106 9.657 6.091) 12.133 2.588 ( 4.499 -2.732 4.527) 6.942 2.978 ( 4.613 -5.246 -2.099) 7.294 3.814 ( 0.896 -2.636 -4.682) 5.447 4.115 ( -11.295 -4.914 -2.403) 12.550 4.495 ( 6.561 8.264 2.176) 10.774 4.855 ( -3.277 -1.477 1.625) 3.945 5.582 ( -7.954 0.535 -9.767) 12.607 6.106 ( 2.824 -3.124 -1.953) 4.642 6.734 ( 6.080 -1.056 -4.393) 7.575 7.008 ( 1.178 -4.170 14.752) 15.375 7.692 ( 0.380 -3.812 -6.691) 7.710 8.142 ( -1.170 -3.093 -1.125) 3.493 8.434 ( 0.834 12.134 4.712) 13.044 8.615 ( 1.657 1.467 5.258) 5.705 13.957 ( -12.186 -3.328 3.634) 13.144 14.253 ( 8.040 5.999 0.023) 10.032 15.652 ( 1.584 6.172 4.109) 7.582 15.830 ( 8.232 -1.915 9.751) 12.904 17.255 ( -1.022 -1.452 -3.522) 3.944 17.769 ( -3.723 -4.519 -9.912) 11.512 ======================= Grid point 192 (104/226) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -17.275 8.796 -3.955) 19.785 1.622 ( -9.355 -3.337 11.806) 15.428 1.976 ( 3.466 -12.288 -11.427) 17.135 2.648 ( 3.664 -1.522 3.986) 5.624 2.688 ( 4.937 7.122 2.251) 8.953 2.996 ( 5.147 -2.581 -2.165) 6.152 3.767 ( -0.075 -6.642 -1.832) 6.891 3.856 ( -10.384 -1.819 -5.385) 11.838 4.718 ( 7.908 8.314 2.026) 11.652 4.781 ( -4.848 -0.821 0.722) 4.970 5.366 ( -10.349 -3.873 -3.336) 11.542 6.113 ( 3.038 -4.278 -0.730) 5.298 6.731 ( -0.658 -4.699 -1.908) 5.114 7.114 ( 5.985 -1.377 7.881) 9.992 7.638 ( 1.647 -3.540 -4.806) 6.192 8.094 ( 0.272 -1.177 -3.541) 3.741 8.499 ( -8.343 9.592 8.523) 15.305 8.806 ( 10.625 6.596 1.283) 12.571 13.726 ( -13.818 -3.159 4.972) 15.021 14.518 ( 13.979 10.008 -0.300) 17.194 15.797 ( 2.943 9.054 4.900) 10.707 16.000 ( 6.437 -1.501 8.904) 11.089 17.190 ( -1.622 -2.640 -3.720) 4.841 17.542 ( -6.987 -10.154 -10.599) 16.255 ======================= Grid point 193 (105/226) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -10.003 6.242 0.598) 11.806 1.478 ( -13.680 -3.578 15.911) 21.286 1.807 ( 2.036 -15.416 -13.796) 20.788 2.699 ( 4.023 -2.035 -1.473) 4.743 2.806 ( 3.250 1.110 2.997) 4.558 3.132 ( 7.837 7.311 0.612) 10.735 3.577 ( -7.823 -8.562 -1.186) 11.658 3.750 ( -2.439 1.384 -5.382) 6.069 4.686 ( -5.685 -0.102 -0.842) 5.748 4.904 ( 4.720 1.044 -0.526) 4.863 5.163 ( -7.082 -2.190 4.394) 8.617 6.124 ( 3.051 -4.264 2.581) 5.844 6.620 ( -4.281 -5.820 -2.372) 7.604 7.252 ( 6.282 0.442 2.430) 6.750 7.620 ( 2.578 -2.125 -3.279) 4.681 8.076 ( -0.056 -1.712 -0.438) 1.768 8.504 ( -5.475 9.239 3.241) 11.218 9.045 ( 8.211 6.948 0.583) 10.772 13.508 ( -11.573 -3.365 6.067) 13.494 14.905 ( 18.508 14.095 -3.442) 23.517 15.971 ( 2.368 9.453 6.499) 11.714 16.116 ( 3.138 -0.777 5.575) 6.444 17.092 ( -5.553 -4.270 -3.341) 7.761 17.229 ( -6.340 -13.943 -8.102) 17.328 ======================= Grid point 194 (106/226) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -0.338 0.093 5.079) 5.091 1.297 ( -13.622 -4.916 16.087) 21.645 1.606 ( 0.062 -11.485 -10.553) 15.598 2.737 ( 3.490 -0.640 -2.485) 4.332 2.894 ( 3.735 1.648 1.070) 4.220 3.314 ( 2.403 -2.796 0.149) 3.690 3.415 ( -0.254 3.128 -0.768) 3.231 3.689 ( -3.794 2.467 -1.471) 4.759 4.571 ( -6.292 -0.847 -1.287) 6.478 4.847 ( -1.533 -9.841 2.556) 10.283 5.193 ( 1.129 5.072 2.732) 5.870 6.181 ( 4.371 -1.847 5.309) 7.121 6.455 ( -5.758 -5.548 -4.331) 9.094 7.348 ( 3.436 0.118 0.678) 3.504 7.652 ( 4.720 -0.021 -3.027) 5.607 8.027 ( -4.766 -2.235 2.950) 6.034 8.544 ( 0.146 6.939 -1.463) 7.093 9.210 ( 3.898 5.613 -1.221) 6.942 13.356 ( -6.597 -3.709 6.515) 9.987 15.340 ( 18.156 17.238 -11.323) 27.478 16.128 ( -1.262 9.147 6.698) 11.407 16.160 ( 1.493 -0.367 2.523) 2.955 16.782 ( -11.517 -17.826 -0.427) 21.227 17.086 ( -0.133 -4.313 -2.194) 4.841 ======================= Grid point 195 (107/226) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -4.975 -5.795 12.300) 14.479 1.172 ( 4.665 -6.778 7.666) 11.246 1.499 ( -0.398 0.096 -2.489) 2.522 2.758 ( 0.412 0.289 -2.673) 2.720 2.955 ( 0.538 3.044 -1.692) 3.524 3.198 ( -2.260 -6.933 -3.338) 8.019 3.539 ( 3.354 2.042 1.450) 4.186 3.693 ( -0.549 5.353 3.573) 6.460 4.491 ( -1.241 1.094 2.015) 2.607 4.774 ( 1.441 -8.594 3.125) 9.258 5.240 ( -1.035 2.122 -0.759) 2.480 6.222 ( -4.122 -3.726 -1.754) 5.827 6.347 ( 3.591 -0.112 2.299) 4.265 7.386 ( 0.970 -0.540 1.188) 1.626 7.733 ( 5.476 1.415 -2.327) 6.115 7.907 ( -8.458 -1.369 1.025) 8.629 8.613 ( 3.361 2.229 -1.947) 4.478 9.266 ( -1.035 3.624 -3.302) 5.011 13.301 ( -0.030 -3.980 6.479) 7.604 15.584 ( -0.359 14.268 -24.493) 28.348 16.130 ( 0.298 1.743 -3.176) 3.636 16.282 ( 2.064 4.815 2.313) 5.727 16.498 ( -1.995 -17.350 18.120) 25.166 17.058 ( 0.052 -0.486 0.929) 1.050 ======================= Grid point 196 (108/226) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.232 -5.453 4.940) 7.361 1.301 ( 12.311 -10.050 7.675) 17.648 1.571 ( 0.229 11.761 5.376) 12.933 2.724 ( -2.638 0.662 -1.867) 3.298 2.918 ( -4.978 -2.203 -1.580) 5.668 3.143 ( 3.677 2.084 -7.010) 8.185 3.533 ( -3.091 -5.019 1.493) 6.081 3.787 ( 0.523 5.635 6.791) 8.840 4.615 ( 7.706 7.028 1.916) 10.604 4.769 ( 5.393 -7.309 5.843) 10.800 5.185 ( -4.288 -1.525 -3.077) 5.494 6.081 ( -3.745 -2.815 -3.734) 5.991 6.471 ( 4.683 2.505 3.742) 6.496 7.383 ( -1.674 -1.735 1.822) 3.022 7.728 ( -9.513 -0.116 1.443) 9.622 7.842 ( 5.407 2.943 -5.428) 8.207 8.663 ( 3.900 -3.365 -0.752) 5.206 9.209 ( -5.499 1.547 -4.561) 7.310 13.358 ( 6.706 -4.108 6.239) 10.038 15.322 ( -17.822 3.086 -22.708) 29.031 16.122 ( 1.541 -4.941 -6.379) 8.215 16.223 ( -3.213 -6.381 1.485) 7.297 16.725 ( 12.696 7.287 16.491) 22.050 17.087 ( 0.173 2.922 3.595) 4.636 ======================= Grid point 197 (109/226) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 8.530 -3.333 -3.834) 9.928 1.471 ( 13.856 -10.035 6.885) 18.442 1.760 ( -0.841 16.760 8.373) 18.754 2.668 ( -4.207 0.384 -1.859) 4.616 2.790 ( -3.681 -2.925 -1.423) 4.912 3.209 ( 2.649 1.544 -5.696) 6.469 3.422 ( -1.911 -2.537 0.127) 3.178 3.876 ( -2.616 6.484 7.260) 10.080 4.730 ( 4.981 -2.029 -2.607) 5.977 5.013 ( 13.694 6.203 7.648) 16.867 5.039 ( -5.042 -5.944 -0.066) 7.795 6.021 ( 0.244 0.181 -1.947) 1.970 6.577 ( 2.370 3.113 1.729) 4.278 7.276 ( -8.371 -4.492 -0.819) 9.535 7.623 ( -3.827 3.607 -0.510) 5.284 7.931 ( 3.635 3.462 -2.467) 5.593 8.662 ( 3.798 -9.211 -1.376) 10.058 9.069 ( -8.487 0.041 -3.203) 9.071 13.517 ( 11.975 -4.071 5.952) 13.979 14.885 ( -18.143 -1.798 -16.914) 24.870 15.999 ( -0.290 -9.513 -10.396) 14.094 16.120 ( -6.599 -4.422 6.538) 10.288 17.089 ( 8.668 6.062 4.345) 11.435 17.189 ( 4.417 10.521 8.313) 14.118 ======================= Grid point 198 (110/226) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 13.994 -0.230 -9.346) 16.830 1.657 ( 13.737 -7.866 6.301) 17.038 1.935 ( -2.840 14.966 6.836) 16.697 2.547 ( -5.855 -1.630 -4.386) 7.495 2.734 ( -1.764 -2.077 -0.033) 2.726 3.114 ( -6.246 -5.516 1.896) 8.546 3.519 ( 8.439 8.211 -5.151) 12.852 3.916 ( -4.420 7.184 4.978) 9.794 4.783 ( 4.971 -2.079 -0.635) 5.425 4.852 ( -5.307 -7.504 -2.430) 9.506 5.396 ( 13.831 7.005 9.189) 18.022 6.055 ( 2.565 2.118 -0.283) 3.338 6.635 ( 0.133 3.921 -0.518) 3.957 7.041 ( -10.357 -5.405 -3.657) 12.242 7.645 ( -0.175 5.740 1.763) 6.007 7.992 ( 0.887 3.405 -2.068) 4.082 8.594 ( 4.092 -13.808 -5.240) 15.326 8.906 ( -9.334 -0.936 2.231) 9.642 13.740 ( 14.004 -3.578 5.453) 15.448 14.504 ( -13.019 -3.012 -11.150) 17.403 15.825 ( -1.513 -8.901 -10.622) 13.940 15.981 ( -9.063 -5.521 7.449) 12.966 17.200 ( 1.409 3.701 2.151) 4.507 17.500 ( 8.133 13.385 4.672) 16.344 ======================= Grid point 199 (111/226) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 14.007 1.311 -10.299) 17.435 1.856 ( 11.566 -3.616 4.611) 12.966 2.041 ( -3.393 10.960 4.591) 12.357 2.414 ( -3.911 -2.287 -4.005) 6.047 2.625 ( -5.384 -7.519 -0.531) 9.263 3.003 ( -4.883 -0.381 3.292) 5.902 3.716 ( 6.439 8.473 -3.172) 11.105 3.959 ( -0.415 8.859 -0.006) 8.868 4.689 ( -3.245 -9.309 -0.261) 9.861 4.845 ( 3.479 -1.164 1.665) 4.029 5.691 ( 7.782 6.814 2.382) 10.615 6.119 ( 1.743 1.616 1.006) 2.581 6.641 ( -2.228 3.100 -6.035) 7.142 6.844 ( -4.519 -3.482 2.962) 6.428 7.740 ( 1.599 7.349 4.350) 8.689 7.989 ( -1.837 1.845 -5.184) 5.801 8.487 ( 4.727 -14.123 -7.119) 16.507 8.770 ( -8.583 -2.097 7.575) 11.638 13.957 ( 9.577 -1.110 4.299) 10.557 14.267 ( -4.216 -4.197 -5.783) 8.296 15.664 ( -1.160 -6.792 -7.392) 10.106 15.809 ( -9.501 -5.707 7.093) 13.158 17.262 ( 0.719 3.252 0.807) 3.427 17.743 ( 4.626 10.810 0.158) 11.760 ======================= Grid point 202 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 5.596 -0.465 -4.357) 7.107 1.795 ( 2.311 -11.002 -11.085) 15.788 1.921 ( -9.976 4.576 -5.080) 12.094 2.508 ( 4.493 -2.201 5.836) 7.688 2.562 ( 3.440 7.722 8.488) 11.980 2.899 ( -2.150 -2.202 -1.391) 3.378 3.721 ( 0.715 -6.952 -4.829) 8.495 4.212 ( -7.004 -4.499 -2.099) 8.585 4.488 ( 5.578 7.753 1.700) 9.701 4.876 ( -0.684 -1.850 1.352) 2.392 5.656 ( -5.731 4.822 -14.115) 15.979 6.060 ( -1.005 -1.484 -2.013) 2.696 6.597 ( 5.990 0.651 -2.381) 6.479 7.048 ( -0.906 -7.325 15.352) 17.034 7.632 ( -1.445 -1.647 -6.059) 6.443 8.102 ( 0.035 -2.994 -3.993) 4.991 8.412 ( 10.544 5.562 3.786) 12.508 8.778 ( -7.030 4.363 9.694) 12.745 13.991 ( 5.788 -0.031 -11.994) 13.318 14.215 ( -0.613 -3.531 11.721) 12.256 15.641 ( 3.797 -2.811 5.542) 7.282 15.869 ( 1.053 10.141 11.048) 15.033 17.252 ( -2.244 -0.660 -3.241) 3.996 17.734 ( -4.336 -3.490 -10.722) 12.081 ======================= Grid point 203 (113/226) ======================= q-point: ( 0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -4.387 -6.525 -9.769) 12.540 1.680 ( -6.088 -0.343 -1.549) 6.291 1.803 ( -2.042 -0.596 -3.422) 4.029 2.573 ( 3.291 -3.492 2.722) 5.517 2.749 ( 0.416 7.938 6.399) 10.204 2.884 ( 5.787 0.194 -1.163) 5.905 3.653 ( 2.543 -7.560 -3.881) 8.870 3.981 ( -11.244 -5.461 -2.254) 12.701 4.687 ( 6.798 7.948 0.979) 10.505 4.839 ( -2.831 -0.557 0.820) 3.000 5.497 ( -8.940 1.227 -7.187) 11.536 6.039 ( 1.275 -0.869 -1.932) 2.472 6.662 ( 2.909 -1.739 -2.656) 4.305 7.068 ( 2.450 -5.934 11.318) 13.012 7.571 ( -0.368 -1.081 -4.059) 4.217 8.054 ( 0.037 -1.431 -3.941) 4.193 8.670 ( 11.010 1.157 3.862) 11.725 8.765 ( -6.199 8.272 6.587) 12.258 13.928 ( -8.551 -0.764 -0.914) 8.633 14.334 ( 12.129 1.619 1.618) 12.343 15.765 ( 8.395 -1.816 6.453) 10.743 16.049 ( 0.787 9.242 9.835) 13.519 17.180 ( -2.334 -1.439 -3.241) 4.245 17.516 ( -7.661 -6.327 -11.264) 15.020 ======================= Grid point 204 (114/226) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -11.505 2.087 -5.161) 12.781 1.553 ( 0.108 -7.551 -7.753) 10.823 1.734 ( -8.139 -1.232 7.806) 11.344 2.599 ( 3.520 -2.640 -1.634) 4.694 2.786 ( 0.797 -0.298 1.610) 1.821 3.099 ( 8.257 10.275 3.541) 13.648 3.570 ( -1.879 -10.018 -2.631) 10.527 3.762 ( -5.586 -2.178 -4.064) 7.243 4.771 ( -4.025 0.771 0.074) 4.099 4.863 ( 3.390 4.455 -0.762) 5.649 5.313 ( -9.246 -0.971 1.868) 9.483 6.058 ( 2.531 -0.671 0.393) 2.648 6.615 ( -2.632 -4.698 -1.826) 5.686 7.161 ( 6.346 -1.308 4.096) 7.666 7.548 ( 1.161 -1.021 -2.575) 3.003 8.033 ( 1.390 -1.092 -2.614) 3.155 8.697 ( -6.086 3.072 3.271) 7.561 8.950 ( 10.049 4.805 2.069) 11.329 13.728 ( -13.135 -2.628 4.476) 14.123 14.645 ( 19.636 7.311 -5.208) 21.590 15.943 ( 9.079 -2.262 7.760) 12.155 16.183 ( -0.151 6.483 5.964) 8.810 17.113 ( -2.139 -0.884 -1.830) 2.951 17.217 ( -11.678 -7.655 -9.389) 16.827 ======================= Grid point 205 (115/226) ======================= q-point: ( 0.45 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -9.218 3.231 -2.157) 10.003 1.473 ( 1.413 -2.115 -4.433) 5.111 1.581 ( -13.770 -5.132 13.845) 20.190 2.637 ( 4.946 -0.304 -4.316) 6.571 2.837 ( 4.118 0.281 1.756) 4.486 3.310 ( -1.173 2.578 0.419) 2.863 3.417 ( 1.849 -1.229 -0.967) 2.421 3.690 ( 0.270 -2.181 -2.453) 3.293 4.695 ( -7.087 2.751 0.257) 7.607 4.843 ( -4.212 -4.334 -0.218) 6.047 5.253 ( -1.629 1.877 4.929) 5.521 6.128 ( 4.366 1.039 3.542) 5.717 6.477 ( -5.733 -5.065 -3.310) 8.335 7.281 ( 5.971 0.594 0.505) 6.022 7.557 ( 2.843 -1.081 -1.938) 3.607 8.038 ( 1.174 -1.779 -0.135) 2.136 8.635 ( -5.032 3.048 -1.233) 6.011 9.146 ( 7.743 2.498 -0.172) 8.138 13.516 ( -11.486 -3.591 6.041) 13.466 15.042 ( 22.024 10.108 -11.765) 26.938 16.101 ( 6.573 -3.263 7.091) 10.205 16.240 ( 0.216 1.265 0.371) 1.336 16.872 ( -15.445 -6.131 -2.119) 16.752 17.081 ( -1.458 1.073 0.864) 2.006 ======================= Grid point 206 (116/226) ======================= q-point: (-0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -3.183 -1.684 -0.048) 3.601 1.351 ( -14.251 -8.729 14.495) 22.122 1.538 ( 2.068 8.584 4.373) 9.853 2.698 ( 4.428 1.435 -5.070) 6.882 2.933 ( 4.168 1.144 0.792) 4.394 3.165 ( -4.317 -4.562 -5.771) 8.529 3.545 ( 3.094 3.281 2.504) 5.158 3.689 ( 2.063 -1.592 1.539) 3.026 4.608 ( -6.113 2.860 5.255) 8.554 4.736 ( -3.003 -3.517 0.334) 4.637 5.272 ( -1.268 0.596 1.452) 2.018 6.258 ( 1.447 2.035 4.631) 5.262 6.303 ( -2.542 -3.225 -4.295) 5.943 7.372 ( 2.940 1.355 0.990) 3.385 7.605 ( 5.990 -1.041 -3.258) 6.898 8.005 ( -3.708 -2.860 1.713) 4.986 8.586 ( -0.803 1.245 -4.663) 4.893 9.250 ( 3.383 0.911 -2.520) 4.315 13.359 ( -6.667 -4.112 6.428) 10.132 15.373 ( 16.000 6.479 -21.564) 27.622 16.152 ( -0.168 -2.053 -1.064) 2.318 16.220 ( 1.756 -5.308 -6.284) 8.411 16.636 ( -10.182 -0.640 17.425) 20.192 17.100 ( -0.993 3.865 3.980) 5.636 ======================= Grid point 207 (117/226) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 5.329 -9.211 3.367) 11.161 1.126 ( -9.676 -11.205 11.779) 18.919 1.749 ( 2.092 16.959 8.777) 19.210 2.730 ( 0.905 1.097 -4.175) 4.411 2.938 ( -2.224 -5.161 -2.813) 6.284 3.092 ( 1.336 6.206 -7.449) 9.787 3.586 ( -4.485 -0.188 3.351) 5.602 3.741 ( 7.961 -5.543 5.902) 11.355 4.660 ( 1.966 -6.427 2.237) 7.083 4.689 ( -0.395 12.304 6.549) 13.944 5.223 ( -4.097 -1.954 -1.052) 4.659 6.114 ( -5.680 -2.604 -3.738) 7.281 6.436 ( 5.559 4.205 3.432) 7.770 7.414 ( -0.829 0.859 2.748) 2.996 7.698 ( 8.680 -0.220 -6.067) 10.592 7.879 ( -8.155 -2.461 1.280) 8.614 8.566 ( 1.960 -2.881 -4.347) 5.571 9.248 ( -1.429 -0.086 -4.054) 4.300 13.298 ( -0.101 -4.314 6.389) 7.710 15.328 ( -2.688 -7.200 -26.615) 27.703 16.073 ( -4.455 -0.179 -6.702) 8.050 16.185 ( 2.794 -0.893 -4.146) 5.079 16.747 ( 4.705 3.670 22.027) 22.821 17.167 ( -0.529 5.826 6.414) 8.681 ======================= Grid point 208 (118/226) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -1.106 -10.340 4.303) 11.255 1.155 ( 13.208 -12.956 6.651) 19.661 1.995 ( -0.003 16.662 7.496) 18.271 2.700 ( -2.299 -1.002 -4.296) 4.975 2.808 ( -2.674 -3.573 -3.145) 5.459 3.178 ( 2.831 10.653 -7.350) 13.248 3.459 ( -6.816 -5.046 3.009) 8.999 3.910 ( 8.544 -2.146 9.135) 12.690 4.616 ( 1.853 -3.805 -3.796) 5.685 4.962 ( 8.256 10.135 8.894) 15.811 5.091 ( -6.497 -2.873 2.225) 7.444 6.021 ( -1.406 0.303 -2.800) 3.148 6.572 ( 3.425 4.439 1.646) 5.843 7.363 ( -6.641 -2.717 0.161) 7.177 7.722 ( -3.423 3.131 -5.454) 7.160 7.842 ( 6.544 -0.219 0.755) 6.591 8.517 ( 0.996 -8.335 -3.511) 9.099 9.162 ( -5.133 -0.579 -3.230) 6.092 13.352 ( 6.671 -4.317 6.267) 10.120 14.946 ( -10.182 -12.170 -22.415) 27.463 15.931 ( -5.774 -0.741 -8.841) 10.586 16.185 ( -1.427 -2.251 1.870) 3.256 17.043 ( 8.940 6.884 10.285) 15.267 17.285 ( 1.924 8.204 9.078) 12.386 ======================= Grid point 209 (119/226) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 9.739 -5.209 -5.277) 12.240 1.340 ( 16.890 -11.769 8.791) 22.384 2.131 ( -2.099 8.408 2.137) 8.926 2.564 ( -4.590 -4.379 -6.732) 9.250 2.775 ( -1.944 1.484 0.559) 2.509 3.210 ( -6.410 2.512 1.732) 7.099 3.428 ( 6.094 6.301 -5.432) 10.312 4.043 ( 0.951 0.717 8.021) 8.109 4.626 ( 6.994 -4.008 -3.741) 8.886 4.873 ( -7.101 -6.482 -2.941) 10.054 5.349 ( 9.950 9.790 15.612) 20.942 6.033 ( 2.272 3.064 -2.211) 4.409 6.659 ( 1.257 4.514 -0.206) 4.690 7.146 ( -10.964 -4.580 -5.452) 13.073 7.729 ( -0.530 7.068 0.892) 7.143 7.959 ( 5.707 1.515 -1.286) 6.043 8.386 ( -0.448 -13.450 -5.163) 14.413 9.042 ( -6.792 -1.269 1.001) 6.982 13.509 ( 12.017 -4.228 6.094) 14.122 14.536 ( -8.706 -11.890 -17.295) 22.722 15.768 ( -5.634 -1.077 -8.597) 10.336 16.109 ( -6.252 -4.375 5.722) 9.538 17.227 ( 2.229 4.638 3.156) 6.037 17.529 ( 7.264 11.582 7.051) 15.383 ======================= Grid point 210 (120/226) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 15.989 0.357 -11.445) 19.666 1.593 ( 17.231 -7.985 9.704) 21.327 2.135 ( -0.378 -1.451 -3.310) 3.634 2.416 ( -4.261 -2.238 -4.536) 6.614 2.704 ( -7.201 -1.643 0.718) 7.421 3.139 ( -6.836 4.015 3.691) 8.745 3.623 ( 9.928 10.049 -6.993) 15.763 4.065 ( -2.517 1.686 2.658) 4.031 4.669 ( -3.938 -6.086 -0.712) 7.284 4.729 ( 6.531 -4.524 0.000) 7.945 5.664 ( 7.487 5.775 10.668) 14.255 6.106 ( 2.858 3.914 -2.302) 5.365 6.684 ( -3.062 2.458 -3.814) 5.474 6.916 ( -6.411 -0.757 -2.534) 6.935 7.829 ( 0.957 8.834 4.147) 9.806 8.011 ( -1.598 2.051 -4.443) 5.148 8.219 ( 4.151 -15.188 -5.992) 16.847 8.929 ( -7.165 -2.060 6.483) 9.880 13.734 ( 14.540 -4.093 5.452) 16.059 14.230 ( -3.870 -9.710 -12.181) 16.051 15.633 ( -4.207 0.415 -5.294) 6.775 15.967 ( -9.267 -5.267 7.316) 12.928 17.296 ( 0.071 3.444 1.392) 3.716 17.768 ( 4.751 9.860 0.660) 10.965 ======================= Grid point 213 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 7.317 -16.955 -14.892) 23.723 1.522 ( 14.007 4.421 -11.211) 18.478 2.071 ( 0.070 0.346 3.367) 3.386 2.451 ( 0.680 -4.030 6.544) 7.716 2.630 ( 2.891 8.192 5.495) 10.279 3.025 ( -11.619 3.392 0.945) 12.141 3.604 ( -0.422 -9.965 -4.512) 10.947 4.228 ( 0.821 0.832 -4.994) 5.129 4.469 ( 4.353 3.397 2.023) 5.880 4.864 ( 1.249 -2.785 3.696) 4.793 5.710 ( -5.572 6.913 -16.738) 18.947 6.029 ( 1.963 -1.717 -4.004) 4.778 6.563 ( -0.837 2.987 1.663) 3.520 7.075 ( -1.629 -9.755 13.777) 16.960 7.641 ( -2.223 3.136 -3.869) 5.453 8.042 ( 1.411 -0.093 -6.189) 6.349 8.301 ( 7.832 -1.922 6.244) 10.199 8.979 ( -5.280 3.741 7.097) 9.605 13.755 ( 10.436 0.077 -13.588) 17.133 14.214 ( 5.711 -7.207 14.009) 16.757 15.633 ( -3.211 -3.206 5.166) 6.876 16.025 ( 0.700 9.955 9.120) 13.519 17.278 ( -3.264 0.372 -2.920) 4.395 17.718 ( -4.435 -1.587 -10.135) 11.176 ======================= Grid point 214 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 7.707 -14.226 -12.071) 20.187 1.709 ( 7.793 4.462 -4.574) 10.077 1.978 ( -11.801 4.816 -2.979) 13.089 2.501 ( 3.563 -5.171 6.052) 8.722 2.794 ( 4.907 1.964 -0.043) 5.286 2.917 ( -6.309 8.170 6.130) 12.005 3.506 ( 2.307 -8.290 -3.720) 9.374 4.095 ( -9.167 -4.989 -1.585) 10.557 4.646 ( 7.076 6.946 0.113) 9.916 4.867 ( 0.023 -2.137 2.569) 3.342 5.587 ( -5.724 6.083 -13.733) 16.074 6.021 ( 0.313 0.708 -2.185) 2.318 6.602 ( 1.538 1.133 -0.266) 1.928 7.037 ( 0.453 -10.095 11.550) 15.347 7.597 ( -3.954 2.830 -1.944) 5.237 8.020 ( -0.014 -0.387 -4.034) 4.053 8.491 ( 12.389 -2.329 5.199) 13.636 8.957 ( -5.484 3.414 3.759) 7.474 13.885 ( 9.900 4.996 -12.561) 16.755 14.265 ( -0.039 -7.226 13.939) 15.701 15.650 ( 5.091 -3.485 6.114) 8.686 16.166 ( 0.924 5.635 5.341) 7.819 17.207 ( -3.408 0.602 -2.383) 4.202 17.545 ( -7.463 -1.084 -8.760) 11.559 ======================= Grid point 215 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 6.354 -5.411 -4.996) 9.727 1.742 ( -12.989 4.407 -0.996) 13.752 1.841 ( -1.560 4.158 -1.706) 4.757 2.518 ( 1.782 -4.349 1.156) 4.840 2.786 ( -0.374 -0.900 -1.194) 1.542 3.095 ( 6.641 9.102 6.606) 13.061 3.454 ( 1.524 -6.512 -2.908) 7.293 3.857 ( -10.645 -4.049 -2.264) 11.612 4.799 ( 3.332 2.183 1.679) 4.322 4.869 ( 0.282 2.448 -0.670) 2.554 5.457 ( -7.706 2.557 -4.343) 9.208 6.037 ( 1.023 2.410 -0.664) 2.701 6.600 ( -1.172 -2.607 -0.597) 2.920 7.060 ( 5.089 -5.181 4.971) 8.801 7.553 ( -2.752 2.226 -1.168) 3.728 7.992 ( 0.214 -1.019 -2.341) 2.562 8.703 ( 9.694 -2.386 4.610) 10.997 8.916 ( -2.381 2.075 -0.170) 3.163 13.914 ( -6.628 1.054 -1.819) 6.953 14.375 ( 13.477 0.633 1.832) 13.616 15.790 ( 9.854 -4.101 7.726) 13.176 16.216 ( 1.029 -1.889 -1.093) 2.413 17.156 ( -2.973 1.860 -0.442) 3.534 17.343 ( -11.405 1.904 -5.254) 12.701 ======================= Grid point 216 (124/226) ======================= q-point: (-0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 0.989 5.274 1.720) 5.635 1.534 ( -11.138 5.476 -3.942) 13.023 1.804 ( -8.287 -2.512 8.055) 11.827 2.525 ( 4.059 -1.025 -3.991) 5.784 2.798 ( 2.232 0.508 1.007) 2.501 3.289 ( 5.952 -8.220 -1.676) 10.286 3.393 ( -2.290 6.752 1.572) 7.301 3.689 ( -3.850 -0.478 -1.085) 4.028 4.820 ( -2.380 1.964 2.110) 3.739 4.873 ( -2.861 -0.095 -3.417) 4.457 5.358 ( -5.580 1.551 4.731) 7.478 6.102 ( 3.159 3.615 1.322) 4.980 6.508 ( -4.830 -3.913 -1.269) 6.345 7.151 ( 7.903 -2.168 -1.161) 8.277 7.537 ( -0.990 1.607 0.124) 1.892 7.988 ( 1.799 -1.098 -1.194) 2.422 8.724 ( -4.536 -1.593 -0.780) 4.871 9.002 ( 9.750 -0.688 -0.002) 9.774 13.730 ( -12.954 -2.900 4.527) 14.026 14.692 ( 20.269 5.843 -8.550) 22.761 15.967 ( 9.585 -5.056 8.111) 13.536 16.155 ( 1.367 -8.663 -6.926) 11.176 17.095 ( -8.779 1.191 -1.401) 8.969 17.190 ( -8.041 8.212 3.869) 12.127 ======================= Grid point 217 (125/226) ======================= q-point: (-0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -12.414 2.908 -6.069) 14.121 1.595 ( -9.110 -1.431 9.314) 13.107 1.632 ( -1.115 4.682 10.756) 11.784 2.589 ( 6.020 2.382 -6.561) 9.217 2.878 ( 4.023 1.572 2.024) 4.770 3.148 ( -2.872 -7.424 -6.603) 10.342 3.476 ( 3.082 -2.367 0.970) 4.005 3.716 ( 0.487 6.526 3.535) 7.438 4.735 ( -7.188 -4.150 0.246) 8.304 4.815 ( -2.941 3.984 1.927) 5.314 5.339 ( -3.790 2.007 5.535) 7.002 6.226 ( 5.204 3.485 0.558) 6.288 6.361 ( -6.898 -2.042 -0.492) 7.211 7.264 ( 9.276 -1.075 -3.978) 10.150 7.545 ( -0.404 0.890 1.396) 1.704 8.002 ( 1.152 -2.027 0.211) 2.342 8.599 ( -4.478 -2.227 -5.658) 7.551 9.143 ( 7.514 -1.427 -0.752) 7.685 13.514 ( -11.470 -4.074 5.930) 13.540 14.998 ( 17.906 2.002 -16.900) 24.703 16.010 ( 3.463 -9.253 -8.775) 13.214 16.128 ( 5.264 -3.936 4.731) 8.099 16.944 ( -11.976 4.894 6.828) 14.629 17.218 ( -3.246 7.692 6.157) 10.374 ======================= Grid point 218 (126/226) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -6.983 -3.828 -5.051) 9.431 1.311 ( -15.885 -13.419 14.622) 25.421 1.895 ( 5.532 13.989 7.483) 16.802 2.669 ( 4.488 2.945 -6.676) 8.566 2.884 ( -2.095 -5.118 -5.365) 7.705 3.101 ( 2.777 6.141 -2.379) 7.147 3.522 ( 8.277 -6.855 3.761) 11.386 3.751 ( -6.552 2.664 4.270) 8.262 4.612 ( -2.157 -5.878 2.534) 6.755 4.848 ( -0.503 7.436 2.590) 7.890 5.311 ( -6.057 2.717 4.816) 8.202 6.159 ( -5.634 -3.338 -4.968) 8.220 6.423 ( 4.464 6.461 4.230) 8.920 7.398 ( 9.377 0.629 -3.366) 9.983 7.548 ( -0.202 -0.677 0.089) 0.713 7.958 ( -3.775 -3.694 1.045) 5.384 8.489 ( -0.463 -3.076 -7.245) 7.885 9.209 ( 2.874 -1.334 -2.073) 3.787 13.353 ( -6.625 -4.427 6.279) 10.144 15.035 ( 5.750 -11.811 -23.020) 26.505 16.001 ( 7.679 0.678 -9.724) 12.409 16.159 ( -1.061 -0.220 -1.209) 1.623 16.915 ( -4.743 4.742 16.521) 17.831 17.290 ( -1.711 6.953 7.406) 10.301 ======================= Grid point 219 (127/226) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 4.500 -11.387 1.845) 12.382 1.010 ( -12.004 -15.560 12.626) 23.359 2.124 ( 3.781 7.639 1.472) 8.650 2.700 ( -1.516 1.628 -5.007) 5.479 2.756 ( 0.595 -2.584 -7.319) 7.785 3.224 ( 1.905 12.772 -3.496) 13.378 3.609 ( -11.819 -1.970 4.486) 12.794 3.700 ( 15.135 -7.130 9.250) 19.117 4.544 ( -0.641 -5.705 -0.821) 5.800 4.962 ( 3.643 2.868 -0.236) 4.643 5.276 ( -6.936 8.006 10.607) 14.991 6.033 ( -2.758 -0.862 -4.260) 5.148 6.576 ( 3.503 6.301 2.127) 7.516 7.464 ( -7.022 -0.756 1.309) 7.183 7.576 ( 11.957 -0.665 -8.669) 14.784 7.859 ( -3.758 -1.962 3.078) 5.239 8.416 ( 0.250 -5.501 -5.185) 7.564 9.193 ( -1.491 -1.017 -2.233) 2.871 13.291 ( -0.044 -4.426 6.414) 7.793 14.749 ( -2.664 -18.651 -22.505) 29.350 16.024 ( -5.779 4.686 -8.842) 11.556 16.144 ( 3.656 0.946 -3.969) 5.478 17.069 ( 3.903 5.691 14.817) 16.345 17.391 ( 0.451 6.364 8.985) 11.019 ======================= Grid point 220 (128/226) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -1.823 -13.214 4.968) 14.234 0.987 ( 15.816 -13.993 9.757) 23.263 2.145 ( 0.707 -6.233 -7.557) 9.821 2.595 ( -6.083 2.006 -5.018) 8.137 2.795 ( 2.698 3.890 -2.539) 5.372 3.370 ( 2.723 13.990 -4.727) 15.016 3.422 ( -9.775 -1.870 4.608) 10.967 3.957 ( 12.903 -5.350 10.524) 17.488 4.477 ( 1.689 -4.999 -3.641) 6.411 4.914 ( -5.266 -4.034 -3.494) 7.497 5.439 ( 3.021 10.121 16.284) 19.410 6.006 ( 1.713 2.571 -4.693) 5.619 6.686 ( 1.561 5.963 0.254) 6.169 7.254 ( -10.878 -3.664 -6.272) 13.080 7.735 ( 9.090 3.597 -4.914) 10.942 7.866 ( 1.979 -0.152 5.685) 6.021 8.295 ( -3.656 -8.267 -4.287) 10.005 9.125 ( -4.098 -1.208 0.352) 4.287 13.345 ( 6.628 -4.312 6.394) 10.169 14.370 ( -3.913 -18.601 -19.070) 26.925 15.874 ( -9.403 4.822 -8.140) 13.339 16.164 ( -0.921 -1.810 1.168) 2.343 17.258 ( 2.820 5.474 5.336) 8.148 17.566 ( 5.372 8.028 8.890) 13.128 ======================= Grid point 221 (129/226) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 12.166 -4.713 -6.943) 14.779 1.249 ( 20.260 -11.438 13.643) 26.971 1.991 ( 1.512 -14.157 -12.137) 18.708 2.485 ( -6.090 2.762 -3.317) 7.465 2.807 ( -4.532 0.726 0.527) 4.620 3.334 ( -5.763 4.986 3.403) 8.346 3.531 ( 6.054 11.831 -7.130) 15.082 4.077 ( 1.464 -6.090 4.593) 7.767 4.519 ( 9.988 -3.376 -0.875) 10.580 4.741 ( -7.849 -3.785 -0.376) 8.722 5.674 ( 5.121 3.031 12.764) 14.083 6.062 ( 3.865 3.889 -6.376) 8.409 6.741 ( -1.684 4.087 -1.326) 4.615 7.021 ( -8.417 1.457 -4.947) 9.871 7.888 ( 6.493 4.555 -2.756) 8.396 7.958 ( 4.496 -0.910 5.189) 6.926 8.085 ( -7.120 -7.281 -5.927) 11.783 9.049 ( -4.942 -1.704 5.321) 7.459 13.499 ( 11.631 -4.176 5.178) 13.399 14.057 ( -0.579 -15.793 -13.330) 20.674 15.736 ( -7.283 5.557 -4.559) 10.233 16.092 ( -6.045 -4.108 5.165) 8.949 17.341 ( -0.103 3.651 1.722) 4.038 17.782 ( 4.920 8.268 1.738) 9.777 ======================= Grid point 224 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 9.688 -18.432 -15.115) 25.730 1.223 ( 19.504 8.863 -14.918) 26.106 1.953 ( 14.258 -5.774 12.572) 19.867 2.511 ( -6.649 -3.113 3.667) 8.206 2.717 ( -0.311 8.072 5.288) 9.655 3.309 ( -12.488 5.932 2.316) 14.018 3.502 ( -3.392 -9.833 -4.049) 11.162 4.133 ( 9.141 5.179 -7.771) 13.067 4.426 ( 4.015 -0.120 1.396) 4.252 4.841 ( -0.036 -3.980 4.391) 5.927 5.757 ( -3.277 5.243 -16.622) 17.735 5.943 ( 3.627 -0.072 1.462) 3.911 6.673 ( -5.322 3.960 1.682) 6.843 7.096 ( -3.976 -9.262 9.724) 14.005 7.700 ( 0.934 7.701 -0.729) 7.791 7.984 ( 0.981 1.897 -7.050) 7.367 8.195 ( 3.685 -7.240 6.187) 10.211 9.106 ( -3.231 0.885 2.827) 4.383 13.510 ( 9.404 0.999 -10.903) 14.433 14.056 ( 13.051 -8.543 13.864) 20.869 15.742 ( -8.809 -3.301 5.316) 10.806 16.130 ( 1.112 5.240 4.711) 7.134 17.330 ( -3.545 1.446 -2.445) 4.543 17.732 ( -3.797 1.869 -8.165) 9.196 ======================= Grid point 225 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 10.468 -7.198 -6.230) 14.149 1.527 ( 15.152 8.700 -10.833) 20.558 2.110 ( 0.804 -1.099 4.225) 4.439 2.444 ( 0.267 -4.464 5.687) 7.235 2.775 ( -0.690 0.978 0.712) 1.393 3.183 ( -11.451 6.430 4.328) 13.828 3.392 ( 1.084 -3.390 -1.569) 3.890 4.151 ( -2.877 -3.067 -2.910) 5.114 4.586 ( 7.798 6.765 -0.120) 10.324 4.820 ( 1.899 -6.393 2.749) 7.213 5.657 ( -4.341 8.632 -16.277) 18.929 6.005 ( 1.596 2.237 0.558) 2.804 6.644 ( -3.227 2.588 1.426) 4.375 7.006 ( -1.650 -10.561 9.196) 14.100 7.725 ( -5.874 6.149 0.360) 8.512 7.996 ( 0.916 1.799 -4.108) 4.577 8.276 ( 11.087 -7.290 5.954) 14.544 9.057 ( -3.532 -1.047 -0.204) 3.689 13.665 ( 12.136 5.908 -10.077) 16.844 14.232 ( 6.511 -8.676 14.317) 17.962 15.633 ( -3.090 -3.365 5.367) 7.048 16.178 ( 1.139 -2.021 -1.080) 2.559 17.272 ( -3.685 2.113 -1.612) 4.543 17.640 ( -6.294 4.809 -4.784) 9.253 ======================= Grid point 226 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 8.858 4.591 3.269) 10.499 1.764 ( 9.156 6.895 -4.790) 12.422 2.026 ( -11.055 3.648 -3.014) 12.025 2.461 ( 1.756 -5.403 4.601) 7.311 2.747 ( 0.739 -3.388 -1.508) 3.781 3.120 ( -1.074 -1.802 1.773) 2.747 3.434 ( -0.249 7.737 2.980) 8.295 3.988 ( -9.704 -3.140 -2.129) 10.419 4.752 ( 5.322 1.610 1.956) 5.894 4.835 ( 3.971 -1.779 -0.591) 4.392 5.579 ( -5.346 8.194 -9.321) 13.513 6.051 ( 0.564 3.636 -0.115) 3.681 6.617 ( -2.641 -0.505 1.457) 3.058 6.961 ( 2.124 -7.658 4.632) 9.199 7.665 ( -6.486 4.935 -0.625) 8.173 7.980 ( -0.986 -0.828 -0.524) 1.390 8.484 ( 14.556 -4.243 5.509) 16.132 8.963 ( -3.790 -3.352 -3.140) 5.955 13.881 ( 10.016 8.327 -9.621) 16.193 14.282 ( 0.868 -7.559 12.375) 14.527 15.657 ( 5.534 -3.928 6.805) 9.611 16.118 ( 0.903 -8.602 -6.387) 10.752 17.228 ( -3.259 2.301 -0.698) 4.050 17.554 ( -9.068 8.318 -1.318) 12.376 ======================= Grid point 227 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 6.630 10.736 7.782) 14.825 1.800 ( -15.222 4.301 -4.316) 16.396 1.899 ( 0.277 2.907 0.121) 2.923 2.444 ( 1.042 -3.188 -0.713) 3.428 2.754 ( 3.877 -1.901 0.146) 4.320 3.097 ( 3.413 -9.266 -1.969) 10.069 3.534 ( -2.656 10.361 3.264) 11.183 3.793 ( -8.254 1.051 -0.671) 8.348 4.819 ( 2.932 -3.622 2.712) 5.392 4.877 ( 0.798 1.612 -4.243) 4.609 5.528 ( -6.369 6.789 2.114) 9.546 6.103 ( 1.640 4.001 -0.477) 4.351 6.557 ( -4.261 -1.682 1.644) 4.866 6.979 ( 6.121 -5.117 -2.262) 8.293 7.615 ( -4.200 4.536 -0.152) 6.183 7.959 ( -0.162 -1.013 0.568) 1.173 8.699 ( 7.779 -3.845 4.167) 9.626 8.847 ( 1.332 -4.736 -4.856) 6.913 13.920 ( -7.778 0.253 0.451) 7.796 14.396 ( 13.471 1.093 -2.102) 13.678 15.797 ( 9.471 -5.270 7.472) 13.165 15.982 ( 1.208 -11.410 -8.112) 14.052 17.192 ( -3.427 2.318 -0.310) 4.149 17.485 ( -10.277 11.000 2.236) 15.219 ======================= Grid point 228 (134/226) ======================= q-point: (-0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -15.003 5.111 -7.143) 17.385 1.689 ( 4.190 10.062 5.540) 12.227 1.822 ( -10.739 -6.428 9.071) 15.457 2.471 ( 5.442 1.812 -5.996) 8.297 2.846 ( 5.705 2.109 3.054) 6.806 3.008 ( 1.168 -11.790 -5.016) 12.866 3.503 ( -6.176 1.727 -1.528) 6.593 3.817 ( 0.084 10.124 4.693) 11.159 4.800 ( -4.713 -4.608 0.241) 6.596 4.843 ( 1.083 -0.742 -2.582) 2.896 5.525 ( -6.556 7.062 9.438) 13.488 6.177 ( 3.405 2.427 -2.100) 4.680 6.471 ( -5.980 1.184 2.203) 6.482 7.034 ( 9.484 -4.595 -6.786) 12.534 7.613 ( -2.239 4.404 2.081) 5.361 7.963 ( 1.055 -1.033 0.537) 1.571 8.604 ( -4.913 -6.125 -6.477) 10.178 8.967 ( 10.868 -2.898 2.094) 11.441 13.724 ( -13.210 -3.541 4.862) 14.515 14.624 ( 15.452 -0.573 -13.026) 20.218 15.807 ( 2.888 -8.586 -9.022) 12.785 15.999 ( 8.846 -5.583 8.266) 13.332 17.154 ( -4.971 3.992 1.610) 6.576 17.455 ( -8.541 10.813 5.091) 14.690 ======================= Grid point 229 (135/226) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -16.327 1.229 -11.097) 19.780 1.552 ( -16.737 -12.635 13.371) 24.871 1.914 ( 6.994 5.921 2.669) 9.545 2.556 ( 6.177 2.508 -8.032) 10.438 2.860 ( -2.734 -4.747 -5.418) 7.705 3.044 ( 9.689 3.757 5.744) 11.874 3.425 ( -1.703 -0.993 -1.037) 2.228 3.918 ( -3.827 7.329 4.112) 9.235 4.646 ( -6.291 -6.182 2.584) 9.191 4.851 ( 2.817 -0.995 -2.765) 4.071 5.542 ( -7.732 7.966 10.711) 15.426 6.168 ( -2.552 -2.158 -5.835) 6.724 6.476 ( 0.203 6.832 4.613) 8.246 7.136 ( 12.592 -3.430 -8.212) 15.420 7.635 ( -3.098 4.271 4.531) 6.955 7.958 ( -0.474 -3.201 0.472) 3.270 8.428 ( -2.668 -5.127 -8.877) 10.593 9.105 ( 6.820 -2.199 1.264) 7.276 13.503 ( -11.403 -4.312 5.691) 13.454 14.667 ( 7.644 -11.989 -19.403) 24.055 15.801 ( 8.502 0.681 -9.320) 12.634 16.120 ( 4.850 -3.728 5.423) 8.175 17.138 ( -5.044 5.904 6.574) 10.175 17.468 ( -5.490 8.422 6.907) 12.197 ======================= Grid point 230 (136/226) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -10.161 -5.041 -8.077) 13.925 1.201 ( -17.748 -16.525 15.744) 28.913 2.026 ( 5.883 -5.207 -6.750) 10.358 2.620 ( 5.799 1.840 -8.559) 10.502 2.773 ( -3.143 2.669 -2.990) 5.093 3.298 ( 4.925 11.945 3.171) 13.304 3.448 ( 9.309 -5.839 5.095) 12.112 3.843 ( -12.089 1.318 3.776) 12.733 4.524 ( -3.277 -6.082 2.394) 7.312 4.889 ( 4.567 -0.941 -3.445) 5.798 5.557 ( -7.393 8.189 11.465) 15.911 6.044 ( -3.778 -1.389 -6.119) 7.324 6.606 ( 2.696 7.414 3.031) 8.452 7.284 ( 13.452 -2.151 -8.717) 16.173 7.618 ( -7.594 2.975 4.569) 9.348 7.892 ( -1.724 -4.030 1.221) 4.550 8.325 ( 0.862 -3.744 -6.941) 7.933 9.168 ( 2.250 -1.401 0.142) 2.654 13.343 ( -6.388 -4.402 6.105) 9.872 14.445 ( 0.325 -19.015 -20.232) 27.767 15.950 ( 10.257 5.361 -9.863) 15.206 16.142 ( -1.636 -0.044 -1.041) 1.940 17.194 ( -1.361 5.903 10.551) 12.167 17.518 ( -2.439 5.971 8.760) 10.879 ======================= Grid point 231 (137/226) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 6.429 -13.152 4.237) 15.240 0.845 ( -14.441 -18.286 15.000) 27.711 1.921 ( 3.184 -16.349 -14.572) 22.131 2.717 ( 2.550 4.568 -4.894) 7.164 2.734 ( -1.503 7.487 -5.558) 9.445 3.432 ( -0.382 7.382 0.716) 7.426 3.638 ( -5.398 -1.529 2.351) 6.083 3.712 ( 10.339 -1.891 11.493) 15.574 4.425 ( -2.516 -5.127 -0.529) 5.736 4.907 ( 0.568 -1.825 -3.205) 3.731 5.609 ( -2.638 4.994 12.425) 13.649 5.970 ( 0.222 1.395 -7.445) 7.578 6.727 ( 1.578 6.854 1.047) 7.111 7.336 ( -3.450 -1.282 -9.245) 9.951 7.573 ( 4.109 0.364 2.012) 4.590 7.893 ( 1.270 0.826 4.856) 5.087 8.255 ( -1.464 -4.737 -4.085) 6.424 9.164 ( -1.327 -0.897 0.642) 1.726 13.285 ( 0.135 -4.316 6.554) 7.848 14.112 ( -2.076 -19.672 -17.989) 26.737 16.024 ( -5.640 5.656 -7.965) 11.280 16.118 ( 3.834 1.264 -3.897) 5.611 17.311 ( 1.307 4.991 6.650) 8.417 17.623 ( 1.955 5.157 10.284) 11.670 ======================= Grid point 232 (138/226) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -2.220 -14.671 6.670) 16.269 0.865 ( 20.401 -14.037 15.521) 29.226 1.684 ( 3.136 -21.119 -17.531) 27.626 2.627 ( -8.481 5.124 -3.830) 10.623 2.851 ( 2.729 5.257 -3.559) 6.910 3.399 ( -2.731 -0.201 0.139) 2.742 3.634 ( -2.469 11.005 -0.351) 11.284 3.940 ( 9.984 -8.842 7.691) 15.395 4.369 ( 2.481 -1.920 -0.916) 3.267 4.834 ( -5.275 -1.092 -0.405) 5.402 5.698 ( 1.880 -1.154 10.735) 10.959 5.971 ( 3.584 1.411 -10.758) 11.427 6.801 ( -0.481 5.313 -0.260) 5.341 7.167 ( -8.640 4.224 -4.235) 10.508 7.706 ( 8.890 -2.703 -0.628) 9.313 7.988 ( 2.653 4.142 5.510) 7.386 8.116 ( -6.017 -4.204 -4.293) 8.503 9.130 ( -2.771 -0.870 4.022) 4.961 13.339 ( 6.139 -4.211 6.016) 9.571 13.810 ( 0.224 -17.154 -12.859) 21.440 15.902 ( -8.163 6.332 -5.230) 11.579 16.144 ( -0.731 -1.349 0.746) 1.706 17.389 ( -0.077 3.414 1.942) 3.928 17.790 ( 4.182 5.886 4.394) 8.452 ======================= Grid point 268 (139/226) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -0.000 -0.000 22.738) 22.738 0.886 ( 0.000 -0.000 22.738) 22.738 1.161 ( -0.000 -0.000 29.883) 29.883 2.839 ( -0.000 0.000 -6.863) 6.863 2.839 ( 0.000 0.000 -6.863) 6.863 3.495 ( -0.000 -0.000 7.042) 7.042 3.495 ( 0.000 -0.000 7.042) 7.042 3.840 ( 0.000 0.000 -11.945) 11.945 4.575 ( -0.000 -0.000 2.090) 2.090 4.575 ( 0.000 -0.000 2.090) 2.090 5.634 ( -0.000 -0.000 4.453) 4.453 6.854 ( 0.000 0.000 -3.910) 3.910 7.180 ( -0.000 -0.000 5.990) 5.990 7.527 ( -0.000 0.000 -0.349) 0.349 7.527 ( 0.000 0.000 -0.349) 0.349 7.995 ( 0.000 0.000 -1.906) 1.906 8.081 ( 0.000 0.000 -4.052) 4.052 8.081 ( 0.000 0.000 -4.052) 4.052 13.438 ( -0.000 -0.000 10.832) 10.832 13.438 ( 0.000 -0.000 10.832) 10.832 15.987 ( -0.000 0.000 -6.619) 6.619 15.987 ( 0.000 0.000 -6.619) 6.619 17.442 ( 0.000 0.000 -1.834) 1.834 18.233 ( -0.000 -0.000 1.370) 1.370 ======================= Grid point 269 (140/226) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -11.176 -10.309 23.275) 27.802 1.239 ( 3.874 15.021 20.766) 25.921 1.509 ( 13.588 -0.204 24.681) 28.175 2.665 ( -5.285 -3.942 -6.704) 9.403 2.911 ( 1.719 1.156 -4.460) 4.918 3.465 ( 0.975 1.482 2.092) 2.744 3.680 ( 8.161 -1.471 6.369) 10.456 3.701 ( -6.084 0.354 -8.719) 10.638 4.561 ( 1.140 -3.622 -1.490) 4.079 4.616 ( -1.327 4.118 3.815) 5.768 5.653 ( -1.093 0.541 2.238) 2.548 6.734 ( -9.697 -6.203 1.408) 11.597 6.971 ( -8.298 -8.167 8.266) 14.279 7.418 ( -8.168 -1.912 -0.074) 8.389 7.617 ( 4.645 2.128 1.545) 5.338 7.919 ( 0.568 -3.194 -2.729) 4.239 8.192 ( 3.129 9.640 -2.042) 10.338 8.304 ( 15.244 5.460 -12.183) 20.264 13.441 ( 0.775 -0.344 9.775) 9.811 13.673 ( 7.132 5.803 13.193) 16.081 15.851 ( -4.681 -1.809 -8.604) 9.961 16.067 ( 5.303 2.846 -4.857) 7.734 17.411 ( -1.485 -0.994 -2.277) 2.894 18.121 ( -7.833 -5.723 2.436) 10.002 ======================= Grid point 270 (141/226) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 3.924 1.106 12.189) 12.852 1.559 ( 1.224 16.504 17.367) 23.989 1.849 ( 12.773 -4.174 18.363) 22.755 2.515 ( -3.887 -2.799 -5.619) 7.384 2.856 ( -4.407 -3.141 0.993) 5.502 3.486 ( -7.687 -5.332 -7.044) 11.710 3.556 ( 7.242 2.461 -6.365) 9.951 3.888 ( 6.925 4.679 6.808) 10.780 4.502 ( 0.499 -7.586 -2.845) 8.117 4.684 ( -0.416 7.387 4.904) 8.876 5.627 ( -3.053 1.370 -1.875) 3.836 6.522 ( -9.152 -5.861 3.564) 11.437 6.881 ( -0.862 -5.912 4.021) 7.202 7.250 ( -8.807 -2.993 2.960) 9.762 7.736 ( 6.163 -0.248 1.201) 6.284 7.897 ( 1.049 -0.099 -1.547) 1.872 8.320 ( -0.349 12.536 -1.640) 12.647 8.454 ( 8.935 -1.236 -9.411) 13.036 13.567 ( 5.767 2.242 9.572) 11.397 13.932 ( 6.123 6.827 11.809) 14.952 15.699 ( -4.589 -1.632 -8.295) 9.619 16.121 ( 0.285 0.413 0.400) 0.642 17.350 ( -1.875 -1.577 -3.199) 4.029 17.953 ( -5.373 -5.566 -0.801) 7.777 ======================= Grid point 271 (142/226) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 14.841 9.202 -0.326) 17.466 1.783 ( -2.309 11.051 10.831) 15.645 2.076 ( 8.959 -5.522 10.830) 15.101 2.408 ( -2.817 -1.394 -4.156) 5.211 2.752 ( -5.124 -2.805 3.657) 6.892 3.264 ( -8.383 -4.979 -3.016) 10.206 3.659 ( 8.805 -0.152 -7.961) 11.871 4.058 ( 2.732 6.507 0.755) 7.097 4.427 ( 1.353 -6.836 -0.188) 6.971 4.799 ( 1.811 6.640 4.957) 8.481 5.564 ( -2.580 1.339 -6.553) 7.169 6.340 ( -8.460 -3.632 0.829) 9.244 6.827 ( -0.425 -6.672 -1.900) 6.950 7.137 ( -5.415 -1.839 10.221) 11.712 7.768 ( 0.677 -1.590 -5.346) 5.619 7.992 ( 7.468 0.114 6.260) 9.746 8.363 ( -4.497 10.504 -9.626) 14.941 8.532 ( 5.417 -1.934 4.371) 7.224 13.787 ( 8.933 4.045 10.358) 14.263 14.123 ( 2.104 5.351 4.970) 7.600 15.587 ( -1.988 -0.797 -3.637) 4.221 16.084 ( -5.475 -2.856 6.259) 8.793 17.287 ( -1.074 -1.238 -4.006) 4.328 17.825 ( -1.925 -3.591 -6.373) 7.563 ======================= Grid point 272 (143/226) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 18.311 11.147 -5.935) 22.244 1.801 ( -4.926 -1.582 0.734) 5.226 2.152 ( -1.848 -0.152 -1.972) 2.707 2.361 ( 1.768 -3.254 3.117) 4.841 2.695 ( -4.285 0.776 7.112) 8.340 3.075 ( -7.511 -3.950 -0.035) 8.486 3.742 ( 6.305 -1.007 -6.651) 9.220 4.110 ( 2.681 0.950 -6.852) 7.419 4.437 ( 1.081 0.606 5.002) 5.153 4.905 ( 0.286 4.431 3.026) 5.374 5.498 ( 1.105 -0.381 -10.669) 10.733 6.191 ( -6.848 -0.284 0.602) 6.880 6.703 ( -2.592 -7.386 -5.394) 9.506 7.152 ( -1.567 -0.209 13.955) 14.045 7.710 ( -1.928 0.663 -6.730) 7.032 8.163 ( 9.062 -5.149 8.455) 13.421 8.282 ( -5.594 4.614 -10.385) 12.666 8.654 ( 2.601 3.617 10.353) 11.271 14.059 ( 9.797 3.527 12.234) 16.065 14.140 ( -4.494 2.589 -5.652) 7.671 15.595 ( 2.447 1.074 4.355) 5.110 15.968 ( -8.748 -5.349 9.776) 14.167 17.245 ( -0.028 -0.278 -4.182) 4.191 17.735 ( 0.546 -1.347 -11.227) 11.321 ======================= Grid point 273 (144/226) ======================= q-point: (-0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -3.878 -9.626 -6.293) 12.136 1.705 ( 16.054 8.827 -7.091) 19.645 1.994 ( -12.047 2.815 -10.935) 16.512 2.422 ( 4.879 -4.430 6.693) 9.393 2.681 ( -5.920 0.485 10.505) 12.068 2.952 ( -3.557 0.074 -0.015) 3.558 3.761 ( 0.754 0.705 -5.284) 5.384 4.116 ( 5.775 -5.645 -8.597) 11.795 4.500 ( -1.583 4.617 6.200) 7.891 4.920 ( -1.893 1.482 -0.346) 2.429 5.477 ( 4.801 0.111 -12.912) 13.776 6.115 ( -4.046 2.487 0.068) 4.749 6.562 ( -1.892 -5.957 -3.978) 7.409 7.221 ( -0.643 -0.546 14.324) 14.349 7.643 ( -2.513 2.280 -6.987) 7.767 8.156 ( -5.163 0.974 -8.461) 9.959 8.279 ( 5.297 -7.189 9.034) 12.702 8.817 ( 3.033 5.712 11.363) 13.075 13.969 ( -7.407 -2.814 -12.882) 15.124 14.315 ( 4.663 3.883 15.593) 16.732 15.717 ( 3.032 3.149 8.610) 9.656 15.835 ( -5.758 -6.488 10.702) 13.776 17.229 ( 0.969 0.731 -4.271) 4.440 17.676 ( 2.054 0.480 -14.181) 14.337 ======================= Grid point 274 (145/226) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -5.451 -15.568 -10.325) 19.460 1.690 ( -17.968 3.919 -14.741) 23.569 1.991 ( 11.085 4.353 -3.410) 12.388 2.510 ( 5.349 -3.350 6.200) 8.847 2.617 ( -7.392 -1.864 11.190) 13.540 2.987 ( 4.215 5.988 -0.014) 7.322 3.732 ( -3.014 3.816 -4.386) 6.549 4.055 ( 2.971 -11.296 -9.697) 15.181 4.536 ( -3.177 3.440 5.463) 7.196 4.907 ( -0.151 -0.572 1.081) 1.232 5.494 ( 5.758 4.049 -16.434) 17.878 6.066 ( -4.129 0.858 -1.538) 4.489 6.511 ( 2.609 -1.628 -0.556) 3.125 7.284 ( -1.273 -1.814 14.545) 14.713 7.591 ( -1.303 2.625 -6.700) 7.312 8.033 ( -4.164 -0.209 -6.534) 7.751 8.319 ( 1.009 -6.138 8.463) 10.503 8.991 ( 3.398 4.614 9.518) 11.110 13.711 ( -8.141 -4.186 -14.323) 16.998 14.442 ( -5.051 -1.029 18.995) 19.682 15.750 ( -2.909 1.951 8.555) 9.245 15.904 ( 6.449 -1.990 9.871) 11.958 17.238 ( 2.110 1.449 -4.995) 5.613 17.637 ( 2.904 1.411 -15.141) 15.481 ======================= Grid point 275 (146/226) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -6.667 -17.293 -10.702) 21.402 1.293 ( -21.934 4.374 -16.669) 27.894 2.075 ( -2.254 -5.356 6.403) 8.647 2.598 ( 0.619 0.067 8.320) 8.343 2.610 ( 3.601 1.132 4.789) 6.097 3.194 ( 11.112 7.360 0.424) 13.335 3.683 ( -6.174 7.452 -3.732) 10.373 3.892 ( 1.854 -15.727 -11.012) 19.288 4.515 ( -5.255 1.443 2.212) 5.881 4.908 ( -0.407 -2.026 4.686) 5.121 5.555 ( 6.973 6.761 -17.663) 20.157 5.982 ( -4.312 -0.731 0.893) 4.464 6.595 ( 6.342 1.564 0.153) 6.534 7.317 ( -3.119 -1.062 13.126) 13.534 7.572 ( 1.600 0.120 -4.858) 5.116 7.938 ( -2.088 -0.505 -5.360) 5.775 8.306 ( -2.409 -3.441 6.674) 7.886 9.122 ( 1.942 2.712 5.600) 6.518 13.462 ( -6.585 -3.877 -11.741) 14.009 14.352 ( -14.571 -6.138 19.664) 25.232 15.849 ( 2.651 6.164 9.097) 11.304 16.038 ( 5.160 -2.318 7.317) 9.249 17.266 ( 3.479 1.618 -6.348) 7.418 17.616 ( 3.666 1.328 -14.129) 14.657 ======================= Grid point 280 (147/226) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -9.394 -10.149 22.729) 26.605 1.145 ( 12.795 -6.470 24.145) 28.081 1.749 ( -2.825 17.548 21.311) 27.750 2.695 ( -0.815 1.078 -8.545) 8.651 2.845 ( 0.153 3.317 -7.110) 7.847 3.487 ( 2.820 -4.225 5.894) 7.781 3.558 ( -3.046 -7.154 -4.996) 9.242 3.758 ( -0.566 4.450 2.436) 5.105 4.504 ( -1.478 -5.241 0.656) 5.485 4.694 ( 1.757 6.750 0.645) 7.005 5.655 ( 1.034 -3.350 1.858) 3.968 6.733 ( -0.207 -8.696 -0.865) 8.742 6.998 ( -3.103 -16.061 7.401) 17.954 7.510 ( 8.764 -1.717 0.834) 8.970 7.551 ( -7.119 1.097 1.341) 7.326 7.880 ( -4.670 -3.628 -3.283) 6.764 8.051 ( 6.726 5.424 -2.106) 8.894 8.405 ( -1.063 23.262 -9.305) 25.076 13.437 ( -0.319 -6.775 10.893) 12.833 13.829 ( 1.011 16.536 13.577) 21.419 15.874 ( 1.238 2.531 -9.681) 10.082 15.988 ( -0.806 4.456 -6.575) 7.983 17.392 ( -0.119 -2.813 -2.242) 3.599 18.107 ( -0.835 -13.749 3.209) 14.143 ======================= Grid point 281 (148/226) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -7.605 -5.635 21.440) 23.436 1.521 ( 17.576 -4.845 19.752) 26.881 1.965 ( -3.384 12.010 15.209) 19.673 2.578 ( -7.027 3.603 -6.813) 10.429 2.852 ( 0.953 -0.927 -5.079) 5.250 3.415 ( 0.123 -7.687 -8.890) 11.754 3.514 ( -0.468 -1.718 3.513) 3.938 3.845 ( 5.568 1.413 6.136) 8.406 4.428 ( -1.310 -5.124 -1.567) 5.516 4.787 ( 0.109 7.734 1.776) 7.935 5.632 ( 0.095 -4.509 -1.188) 4.664 6.588 ( -5.152 -10.158 3.559) 11.933 6.832 ( -2.186 -11.763 2.385) 12.200 7.420 ( -9.775 0.920 3.379) 10.383 7.637 ( 6.676 -1.081 -1.266) 6.881 7.821 ( 2.056 -2.922 -0.607) 3.624 8.260 ( 9.639 5.622 1.593) 11.272 8.520 ( -3.599 20.163 -11.097) 23.294 13.487 ( 5.778 -5.896 10.853) 13.636 14.107 ( 0.516 19.315 11.900) 22.692 15.766 ( -7.457 4.073 -9.301) 12.598 16.070 ( 5.916 3.714 -5.030) 8.608 17.328 ( -1.135 -4.555 -2.500) 5.318 17.931 ( -3.686 -15.467 2.764) 16.138 ======================= Grid point 282 (149/226) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 4.423 2.994 10.817) 12.064 1.853 ( 13.082 -3.317 14.263) 19.636 2.015 ( -4.736 -0.721 4.628) 6.661 2.481 ( -6.059 6.285 -4.698) 9.914 2.812 ( -1.668 -0.745 1.114) 2.140 3.293 ( -2.888 -6.974 -1.897) 7.783 3.502 ( 2.676 -1.444 -4.101) 5.105 4.005 ( 6.993 -0.762 0.334) 7.043 4.368 ( 0.577 -1.338 0.515) 1.546 4.875 ( 0.249 6.725 3.103) 7.411 5.549 ( -1.769 -5.347 -5.301) 7.734 6.438 ( -6.160 -5.246 3.473) 8.805 6.715 ( 0.856 -11.506 -1.131) 11.594 7.304 ( -8.393 1.201 7.518) 11.331 7.692 ( 3.434 -1.363 -4.634) 5.927 7.866 ( 6.161 -3.764 1.755) 7.430 8.480 ( 6.434 6.374 4.568) 10.143 8.544 ( -6.147 15.480 -8.316) 18.617 13.645 ( 11.082 -5.219 10.825) 16.347 14.325 ( -4.346 18.626 5.414) 19.878 15.646 ( -5.439 4.589 -4.342) 8.336 16.141 ( 0.682 0.954 0.611) 1.322 17.248 ( -0.394 -4.646 -3.165) 5.636 17.745 ( -1.732 -12.822 -2.174) 13.120 ======================= Grid point 283 (150/226) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 13.102 7.815 -0.048) 15.255 1.839 ( -6.987 -8.341 -5.497) 12.191 2.083 ( 8.082 -4.731 7.441) 11.961 2.419 ( -5.427 5.303 -2.566) 8.010 2.819 ( -2.207 4.075 5.711) 7.354 3.146 ( -6.449 -7.254 3.625) 10.361 3.551 ( 8.306 -1.280 -7.050) 10.969 4.002 ( 1.312 -6.182 -7.085) 9.494 4.467 ( 3.993 6.324 4.483) 8.720 4.963 ( 0.524 4.856 2.913) 5.687 5.414 ( -1.629 -5.901 -8.454) 10.437 6.319 ( -6.686 -0.666 3.055) 7.381 6.605 ( 0.287 -9.878 -4.416) 10.824 7.261 ( -3.965 -0.100 9.986) 10.745 7.684 ( 0.823 -0.271 -6.055) 6.116 7.952 ( 8.268 -7.411 2.681) 11.422 8.490 ( -9.740 13.941 -6.075) 18.059 8.693 ( 5.376 5.019 9.165) 11.751 13.871 ( 13.112 -5.347 9.165) 16.867 14.366 ( -9.841 13.863 -2.658) 17.207 15.650 ( -0.838 7.087 4.648) 8.516 16.110 ( -5.853 -2.985 6.980) 9.586 17.197 ( 1.175 -2.586 -3.885) 4.813 17.600 ( 1.413 -9.036 -9.087) 12.892 ======================= Grid point 284 (151/226) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 16.428 7.730 -5.793) 19.057 1.569 ( -6.208 -12.261 -9.152) 16.511 2.111 ( -3.781 0.726 -5.704) 6.882 2.391 ( -0.835 -0.134 4.586) 4.663 2.861 ( -4.549 5.109 8.507) 10.917 3.000 ( -4.470 -5.512 2.542) 7.538 3.644 ( 7.884 -1.184 -5.963) 9.955 3.918 ( 2.949 -7.775 -7.208) 11.005 4.607 ( 0.534 7.611 3.877) 8.558 4.970 ( -3.814 1.084 -3.064) 5.011 5.342 ( 3.902 -1.238 -6.281) 7.498 6.235 ( -5.968 1.494 2.499) 6.640 6.489 ( -0.306 -6.382 -5.375) 8.349 7.270 ( -0.599 -3.428 9.534) 10.149 7.650 ( -0.579 1.276 -6.373) 6.525 8.021 ( 7.057 -8.816 2.209) 11.506 8.418 ( -9.642 9.762 -0.473) 13.729 8.880 ( 3.989 4.663 10.035) 11.762 13.978 ( -1.466 -2.193 -7.035) 7.513 14.361 ( 1.395 4.463 9.538) 10.623 15.785 ( 1.139 8.516 9.662) 12.930 15.986 ( -9.250 -5.218 10.091) 14.650 17.183 ( 1.539 -0.542 -4.044) 4.360 17.507 ( 4.384 -5.002 -14.699) 16.134 ======================= Grid point 285 (152/226) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -7.151 -12.531 -8.498) 16.744 1.761 ( 15.221 5.176 -7.190) 17.612 1.927 ( -12.747 4.742 -12.347) 18.369 2.438 ( 3.659 -3.005 6.830) 8.310 2.814 ( -8.913 -1.296 11.209) 14.379 2.982 ( 2.166 3.234 -0.481) 3.922 3.692 ( 3.659 -3.660 -4.720) 7.005 3.864 ( 3.511 -5.803 -7.118) 9.832 4.661 ( -3.695 3.538 4.113) 6.564 4.893 ( -0.898 1.077 -5.792) 5.959 5.397 ( 3.693 5.144 -7.564) 9.865 6.164 ( -5.694 0.947 1.684) 6.013 6.433 ( 2.541 -1.892 -3.850) 4.986 7.279 ( 1.565 -7.885 8.608) 11.778 7.618 ( -1.076 2.973 -5.759) 6.570 8.035 ( 1.319 -4.509 -0.287) 4.707 8.363 ( -5.771 2.836 5.747) 8.624 9.037 ( 3.109 3.063 8.568) 9.616 13.770 ( -10.631 0.543 -13.993) 17.582 14.545 ( 4.838 -3.355 19.448) 20.319 15.834 ( -5.405 -7.013 10.789) 13.957 15.963 ( -0.150 9.461 8.564) 12.762 17.179 ( 1.674 0.227 -5.903) 6.140 17.469 ( 5.609 -0.912 -16.019) 16.997 ======================= Grid point 286 (153/226) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -8.715 -6.570 -3.115) 11.350 1.599 ( -19.234 5.904 -15.485) 25.388 1.988 ( 9.229 -0.832 -2.382) 9.568 2.532 ( 5.203 -3.373 7.555) 9.774 2.741 ( -5.855 1.626 8.662) 10.581 3.096 ( 7.353 4.445 -0.665) 8.618 3.614 ( 0.993 -13.081 -5.904) 14.386 3.841 ( -1.241 5.251 -5.640) 7.805 4.625 ( -4.888 1.439 0.953) 5.184 4.883 ( 1.204 -1.620 -0.279) 2.037 5.466 ( 3.243 10.083 -11.986) 15.995 6.085 ( -5.896 0.913 2.845) 6.610 6.489 ( 6.381 0.801 -2.766) 7.001 7.279 ( 3.501 -11.563 8.816) 14.956 7.604 ( -1.193 5.116 -5.227) 7.411 7.979 ( -3.973 -0.353 -1.476) 4.253 8.344 ( -2.409 -2.151 8.188) 8.802 9.143 ( 2.059 0.463 5.152) 5.567 13.520 ( -9.921 1.455 -11.407) 15.187 14.610 ( -6.893 -7.861 21.986) 24.346 15.814 ( 4.200 -6.090 9.925) 12.378 16.089 ( -0.509 6.961 5.944) 9.167 17.174 ( 2.787 1.227 -9.716) 10.182 17.476 ( 4.760 2.484 -13.090) 14.148 ======================= Grid point 291 (154/226) ======================= q-point: ( 0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 11.955 -3.382 21.146) 24.526 1.315 ( -15.565 -10.312 21.675) 28.608 2.061 ( -1.565 13.275 15.443) 20.424 2.587 ( 6.914 3.200 -7.320) 10.565 2.868 ( -1.072 -0.099 -3.720) 3.873 3.410 ( -1.464 -5.512 -11.002) 12.392 3.515 ( 0.169 -2.238 1.013) 2.463 3.863 ( -4.374 0.348 6.685) 7.996 4.529 ( -4.554 -1.752 1.930) 5.247 4.696 ( 5.010 5.908 -0.127) 7.747 5.580 ( 1.446 -7.579 -0.474) 7.731 6.590 ( 5.350 -10.161 1.542) 11.586 6.930 ( -0.453 -8.986 3.317) 9.589 7.351 ( 7.875 -2.303 3.490) 8.916 7.726 ( -8.977 3.418 2.025) 9.817 7.884 ( 2.664 1.583 -2.549) 4.013 8.063 ( -5.990 0.941 -4.043) 7.288 8.565 ( 0.856 18.054 -6.208) 19.111 13.494 ( -6.168 -6.178 10.832) 13.912 14.066 ( 1.060 17.585 12.331) 21.503 15.744 ( 7.176 2.897 -8.540) 11.525 16.075 ( -5.132 3.557 -4.516) 7.706 17.336 ( 0.826 -3.712 -2.764) 4.701 17.966 ( 2.551 -13.400 1.539) 13.727 ======================= Grid point 292 (155/226) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -9.962 -6.852 22.338) 25.400 1.296 ( 14.332 -7.331 21.943) 27.215 2.192 ( -3.486 5.154 6.464) 8.972 2.675 ( 0.573 7.328 -4.548) 8.644 2.802 ( -2.010 1.398 -6.665) 7.100 3.270 ( 0.673 -6.910 -9.518) 11.781 3.530 ( 1.196 -1.664 5.717) 6.073 3.812 ( -1.141 -5.934 3.991) 7.242 4.447 ( -4.543 -0.677 1.366) 4.792 4.842 ( 3.254 8.157 -0.324) 8.788 5.523 ( 2.601 -10.357 -1.035) 10.729 6.542 ( 0.523 -11.740 4.367) 12.537 6.779 ( -4.314 -11.369 -0.104) 12.161 7.482 ( 7.518 -2.070 0.632) 7.824 7.613 ( -7.224 2.792 0.926) 7.800 7.843 ( -6.001 0.607 2.007) 6.357 8.176 ( 9.524 9.004 -0.946) 13.141 8.699 ( -1.557 18.215 -7.994) 19.952 13.442 ( -0.118 -6.577 11.151) 12.946 14.369 ( 1.769 22.059 10.553) 24.517 15.841 ( 2.005 6.229 -9.338) 11.403 16.001 ( -1.278 5.037 -6.411) 8.252 17.273 ( -0.556 -6.469 -1.915) 6.769 17.822 ( -1.487 -19.057 3.549) 19.441 ======================= Grid point 293 (156/226) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -5.534 -2.862 19.353) 20.331 1.629 ( 16.778 -7.441 17.381) 25.278 2.089 ( -6.869 -7.072 -5.898) 11.489 2.647 ( -7.607 7.255 -5.177) 11.718 2.820 ( 2.101 4.295 0.755) 4.841 3.211 ( 2.853 -2.131 -4.982) 6.124 3.505 ( -5.131 -4.683 3.806) 7.921 3.832 ( 8.598 -6.394 0.246) 10.718 4.392 ( -2.305 1.609 1.835) 3.357 4.950 ( 0.549 7.073 0.958) 7.159 5.444 ( 1.602 -10.955 -3.128) 11.505 6.471 ( -1.097 -7.294 6.162) 9.612 6.600 ( -2.487 -11.127 -2.488) 11.670 7.524 ( -8.054 2.679 4.490) 9.602 7.566 ( 4.229 -2.622 -0.810) 5.042 7.796 ( -0.038 0.472 -1.495) 1.568 8.435 ( 9.518 7.881 3.109) 12.742 8.762 ( -5.360 16.512 -7.494) 18.909 13.502 ( 6.443 -6.274 11.098) 14.284 14.629 ( -3.584 22.026 3.509) 22.590 15.789 ( -6.646 7.831 -4.512) 11.219 16.088 ( 6.345 4.348 -5.059) 9.207 17.179 ( -0.589 -8.103 -0.671) 8.152 17.619 ( -1.915 -18.609 1.529) 18.770 ======================= Grid point 294 (157/226) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 3.401 2.045 9.773) 10.548 1.807 ( -7.276 -12.786 -10.938) 18.332 1.901 ( 12.933 -7.210 11.010) 18.451 2.559 ( -6.233 5.600 -4.132) 9.342 2.900 ( 0.572 4.751 1.801) 5.113 3.217 ( -3.458 -1.722 6.198) 7.303 3.396 ( 1.343 -3.749 -4.793) 6.231 3.864 ( 3.133 -6.871 -5.064) 9.092 4.474 ( 5.114 5.734 4.539) 8.924 5.020 ( -0.015 5.052 1.583) 5.294 5.321 ( -0.834 -9.907 -4.875) 11.072 6.405 ( -3.753 -4.791 0.126) 6.087 6.480 ( 1.072 -7.915 1.573) 8.140 7.428 ( -8.836 1.206 6.588) 11.088 7.596 ( 3.664 -2.839 -2.763) 5.396 7.817 ( 3.430 -0.639 -1.995) 4.019 8.672 ( 6.954 5.128 4.226) 9.618 8.759 ( -7.446 14.318 -3.755) 16.570 13.663 ( 11.334 -5.977 10.282) 16.429 14.672 ( -11.926 16.019 -7.167) 21.218 15.804 ( -2.490 11.011 5.636) 12.617 16.170 ( 0.929 1.098 0.653) 1.579 17.109 ( 1.893 -6.358 -1.062) 6.718 17.425 ( -0.207 -15.018 -4.323) 15.629 ======================= Grid point 295 (158/226) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 10.763 4.597 0.017) 11.703 1.497 ( -6.357 -11.933 -10.462) 17.095 2.047 ( 6.413 -5.129 2.212) 8.505 2.493 ( -5.684 3.799 -0.546) 6.859 2.942 ( 0.645 0.225 -1.290) 1.459 3.127 ( -9.138 -0.098 11.058) 14.346 3.444 ( 8.498 -0.977 -6.390) 10.677 3.782 ( 0.474 -6.813 -5.082) 8.513 4.663 ( 4.567 7.621 3.083) 9.404 5.028 ( -4.259 1.320 -4.824) 6.570 5.231 ( 3.873 -4.441 0.281) 5.899 6.293 ( -1.057 -7.212 -1.585) 7.460 6.448 ( -2.448 0.038 1.139) 2.700 7.335 ( -5.720 -2.512 5.101) 8.065 7.602 ( 2.135 -1.372 -4.344) 5.031 7.871 ( 4.821 -2.471 1.460) 5.611 8.679 ( -9.446 9.661 -2.366) 13.717 8.889 ( 5.511 3.703 6.797) 9.502 13.858 ( 9.917 -4.413 5.078) 11.984 14.520 ( -11.287 7.549 -6.219) 14.935 15.950 ( -0.892 11.766 10.136) 15.555 16.136 ( -6.234 -3.124 7.050) 9.916 17.113 ( 3.794 -1.504 -2.497) 4.785 17.276 ( 3.275 -10.209 -11.068) 15.409 ======================= Grid point 296 (159/226) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -6.192 -5.447 -5.185) 9.742 1.503 ( 14.883 4.591 -5.871) 16.645 2.038 ( -3.021 -0.149 -6.971) 7.599 2.440 ( -2.812 -0.245 3.457) 4.463 2.915 ( 0.337 -4.584 -0.118) 4.597 3.074 ( -8.119 5.288 8.569) 12.934 3.532 ( 7.034 -4.046 -4.562) 9.309 3.722 ( 2.991 -3.525 -3.938) 6.073 4.768 ( -1.823 3.440 2.971) 4.897 4.907 ( -3.548 2.527 -8.353) 9.421 5.333 ( 6.217 2.699 -0.067) 6.778 6.218 ( 0.195 -5.491 0.003) 5.495 6.410 ( -3.396 3.377 -1.319) 4.968 7.246 ( -2.451 -7.055 4.117) 8.528 7.597 ( 1.405 0.203 -4.643) 4.855 7.941 ( 4.456 -3.052 3.336) 6.348 8.585 ( -10.168 6.437 1.406) 12.116 9.033 ( 4.564 -0.054 5.748) 7.340 13.870 ( -6.206 2.101 -9.557) 11.587 14.495 ( 5.226 -3.618 11.442) 13.089 15.976 ( -9.785 -6.126 11.394) 16.220 16.116 ( -1.195 8.362 6.242) 10.502 17.118 ( 0.656 -1.061 -6.124) 6.250 17.251 ( 8.536 -0.384 -11.560) 14.375 ======================= Grid point 297 (160/226) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -6.895 5.393 3.480) 9.420 1.743 ( 11.990 2.359 -7.126) 14.146 1.864 ( -11.143 4.240 -12.143) 17.018 2.461 ( 3.695 -3.164 6.538) 8.149 2.884 ( -1.772 -1.123 3.544) 4.118 3.047 ( -2.346 0.520 2.385) 3.386 3.497 ( -1.034 -6.880 -1.704) 7.163 3.794 ( 7.115 3.141 -4.772) 9.125 4.729 ( -4.754 1.815 1.089) 5.203 4.872 ( -1.157 1.742 -3.534) 4.106 5.449 ( 3.532 8.107 -6.596) 11.032 6.186 ( -1.363 -2.122 3.491) 4.307 6.404 ( 0.966 3.856 -3.839) 5.526 7.173 ( 0.718 -10.784 5.821) 12.276 7.602 ( 1.413 2.035 -4.589) 5.215 7.985 ( 1.407 -2.220 1.805) 3.188 8.491 ( -8.467 2.615 5.816) 10.600 9.109 ( 3.290 -3.576 2.942) 5.680 13.672 ( -11.441 5.416 -10.774) 16.623 14.653 ( 6.318 -9.829 19.077) 22.370 15.824 ( -6.266 -7.073 10.151) 13.869 16.175 ( -0.984 1.595 0.826) 2.047 17.095 ( 1.681 2.984 -8.311) 8.989 17.351 ( 6.610 5.530 -8.559) 12.146 ======================= Grid point 302 (161/226) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -1.362 2.393 11.886) 12.201 1.598 ( -13.410 -8.211 16.705) 22.941 2.204 ( 1.810 2.449 2.733) 4.092 2.500 ( 5.611 7.628 -0.079) 9.470 2.812 ( 3.701 -2.880 -0.049) 4.690 3.266 ( 2.610 -8.080 -6.834) 10.899 3.572 ( -5.936 5.153 -7.002) 10.527 3.950 ( -4.409 -5.135 3.347) 7.551 4.598 ( 4.556 7.788 1.335) 9.121 4.698 ( -4.520 -0.304 2.658) 5.252 5.477 ( -0.307 -8.271 -2.754) 8.723 6.400 ( 6.781 -8.541 0.942) 10.946 6.871 ( 0.724 -5.143 -1.096) 5.308 7.250 ( 5.468 -1.744 7.317) 9.299 7.783 ( 1.715 -3.542 -4.972) 6.341 7.956 ( -5.218 9.130 1.115) 10.575 8.172 ( -7.698 0.347 -0.176) 7.708 8.655 ( 3.056 12.281 -1.248) 12.717 13.652 ( -11.207 -5.893 10.709) 16.584 14.252 ( 4.173 15.872 6.379) 17.607 15.634 ( 4.463 4.192 -3.316) 6.963 16.134 ( -0.421 0.298 1.055) 1.175 17.267 ( 0.748 -3.201 -3.642) 4.906 17.799 ( 2.293 -10.382 -3.731) 11.268 ======================= Grid point 303 (162/226) ======================= q-point: ( 0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 9.994 -3.443 18.066) 20.931 1.400 ( -13.470 -7.587 20.611) 25.765 2.202 ( 1.101 -6.350 -7.846) 10.154 2.696 ( 4.553 10.074 3.715) 11.663 2.816 ( 0.097 -1.224 -2.466) 2.754 3.163 ( -0.155 -2.535 -9.470) 9.804 3.519 ( -0.288 0.292 0.195) 0.454 3.819 ( -5.231 -8.966 2.237) 10.619 4.569 ( -7.130 0.912 3.062) 7.813 4.837 ( 6.730 9.275 -0.675) 11.479 5.368 ( 0.758 -12.515 -0.150) 12.539 6.413 ( 4.321 -10.240 3.669) 11.704 6.750 ( -4.529 -9.041 -1.702) 10.254 7.365 ( 5.771 -1.368 3.047) 6.667 7.689 ( -2.537 -1.498 -3.513) 4.585 8.047 ( -9.611 0.883 3.913) 10.415 8.111 ( 6.431 13.168 -0.676) 14.670 8.820 ( 1.919 14.670 -4.324) 15.414 13.503 ( -6.446 -6.564 11.195) 14.490 14.568 ( 6.419 20.896 4.418) 22.301 15.764 ( 6.017 7.307 -3.290) 10.021 16.094 ( -5.041 3.782 -4.139) 7.540 17.205 ( -0.463 -6.130 -2.115) 6.501 17.662 ( -0.056 -18.265 0.131) 18.266 ======================= Grid point 304 (163/226) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -9.172 -4.944 21.033) 23.473 1.389 ( 13.245 -8.151 17.508) 23.418 2.010 ( -3.276 -13.743 -14.105) 19.964 2.757 ( -3.591 1.806 -5.360) 6.700 2.860 ( 1.800 4.634 4.034) 6.402 3.155 ( 1.983 8.090 -6.098) 10.323 3.574 ( 1.798 -1.089 5.871) 6.236 3.638 ( -1.503 -11.946 -0.575) 12.054 4.484 ( -5.138 0.909 1.906) 5.555 5.004 ( 2.495 8.746 -0.596) 9.115 5.265 ( 2.634 -14.257 0.487) 14.506 6.412 ( 3.090 -8.565 6.899) 11.424 6.556 ( -5.494 -8.588 -3.985) 10.946 7.445 ( 4.332 -2.241 0.410) 4.894 7.661 ( -0.152 2.385 -1.080) 2.622 7.904 ( -10.718 1.027 3.041) 11.189 8.362 ( 9.437 9.818 -0.442) 13.625 8.936 ( -1.693 14.271 -5.219) 15.290 13.453 ( -0.020 -6.517 11.419) 13.148 14.876 ( 2.085 22.396 -2.602) 22.643 15.913 ( 2.354 8.601 -1.121) 8.987 16.026 ( -1.814 5.506 -6.200) 8.489 17.112 ( -1.260 -9.059 1.376) 9.249 17.463 ( -1.028 -20.309 1.541) 20.394 ======================= Grid point 305 (164/226) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -5.265 -3.450 16.809) 17.949 1.651 ( 14.383 -9.903 12.822) 21.665 1.703 ( -4.599 -13.539 -13.839) 19.899 2.674 ( -5.064 3.514 -4.433) 7.592 2.917 ( 1.276 0.919 -0.219) 1.588 3.269 ( 2.026 9.122 -3.042) 9.827 3.420 ( -7.919 -5.891 4.738) 10.948 3.702 ( 6.511 -4.998 -0.005) 8.208 4.475 ( 1.833 2.281 3.312) 4.419 5.084 ( -0.752 5.313 0.926) 5.445 5.180 ( 2.387 -12.009 -1.462) 12.330 6.354 ( -3.609 -9.494 -4.061) 10.939 6.450 ( 2.238 -3.264 6.396) 7.521 7.478 ( 2.833 -3.348 0.103) 4.387 7.667 ( -7.535 2.901 5.664) 9.863 7.775 ( -1.712 1.362 -5.280) 5.715 8.600 ( 9.078 5.752 1.010) 10.794 8.975 ( -5.249 12.277 -4.784) 14.183 13.514 ( 6.410 -6.451 11.055) 14.315 14.966 ( -9.684 17.570 -13.443) 24.150 15.998 ( -2.210 11.808 6.400) 13.612 16.111 ( 6.515 4.314 -5.288) 9.434 17.016 ( -0.121 -11.354 5.038) 12.422 17.267 ( -0.861 -15.896 -1.202) 15.965 ======================= Grid point 306 (165/226) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 1.912 -1.041 8.456) 8.732 1.431 ( -4.666 -7.721 -8.797) 12.600 1.850 ( 11.357 -8.561 6.222) 15.523 2.609 ( -4.440 3.317 -1.733) 5.807 2.919 ( -0.648 -1.701 -1.858) 2.601 3.244 ( 1.537 -4.084 -4.857) 6.529 3.413 ( -5.432 9.337 8.021) 13.454 3.691 ( 0.734 -5.685 -2.314) 6.181 4.633 ( 8.243 5.016 3.107) 10.137 5.068 ( -3.145 -1.616 -7.651) 8.428 5.136 ( 3.051 -4.221 7.025) 8.745 6.198 ( -1.013 -8.151 -4.070) 9.167 6.499 ( 0.531 -0.168 5.269) 5.298 7.452 ( -4.984 -4.285 2.423) 7.005 7.552 ( -3.788 0.854 -2.078) 4.404 7.812 ( 3.264 2.300 -0.888) 4.091 8.781 ( 5.882 2.491 1.725) 6.616 8.949 ( -6.045 8.155 -3.262) 10.662 13.668 ( 10.756 -5.931 9.500) 15.528 14.776 ( -15.593 10.152 -15.517) 24.228 16.134 ( -1.105 8.450 7.301) 11.222 16.200 ( 1.083 2.748 0.300) 2.968 16.971 ( 5.003 -9.411 2.805) 11.021 17.127 ( -0.553 -6.671 -3.313) 7.469 ======================= Grid point 307 (166/226) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 3.636 0.016 -2.438) 4.378 1.317 ( 1.351 4.745 1.578) 5.180 1.947 ( 6.382 -5.864 -0.271) 8.672 2.545 ( -5.944 1.763 -0.213) 6.203 2.855 ( -0.415 -4.159 -1.852) 4.571 3.292 ( 4.829 3.377 -1.266) 6.027 3.381 ( -6.713 -1.012 3.550) 7.661 3.658 ( 0.688 -0.654 -0.411) 1.035 4.804 ( 3.552 2.960 1.454) 4.847 4.946 ( -4.128 1.663 -7.928) 9.092 5.241 ( 7.367 -0.903 6.178) 9.657 6.119 ( 2.009 -5.644 -2.550) 6.511 6.516 ( -2.776 2.286 2.847) 4.587 7.284 ( -7.602 -5.464 0.081) 9.362 7.540 ( 1.692 -0.091 -2.596) 3.100 7.888 ( 2.960 1.152 2.307) 3.926 8.808 ( -7.709 5.621 -0.669) 9.564 8.956 ( 4.609 -2.683 1.087) 5.443 13.838 ( 7.457 -2.626 3.320) 8.575 14.535 ( -9.276 2.406 -6.240) 11.435 16.137 ( -6.814 -4.406 8.065) 11.440 16.209 ( -1.566 0.449 -0.378) 1.673 17.043 ( 5.483 1.434 -3.731) 6.785 17.096 ( 3.547 1.435 -0.652) 3.881 ======================= Grid point 308 (167/226) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -2.291 11.658 4.017) 12.541 1.501 ( 11.341 3.390 -3.525) 12.351 1.947 ( -0.921 -0.493 -5.939) 6.031 2.460 ( -3.419 -1.234 2.187) 4.242 2.828 ( 2.368 -2.832 -1.767) 4.092 3.211 ( -10.639 -4.243 5.642) 12.768 3.437 ( 5.846 2.374 -1.857) 6.577 3.688 ( 2.995 2.966 -1.569) 4.498 4.819 ( -2.468 0.835 2.076) 3.332 4.893 ( -1.459 1.871 -4.775) 5.332 5.408 ( 6.365 5.415 -0.897) 8.405 6.121 ( 4.058 -2.810 -0.573) 4.969 6.491 ( -4.569 4.138 0.377) 6.176 7.124 ( -3.375 -8.587 1.841) 9.408 7.562 ( 2.024 1.348 -2.358) 3.387 7.951 ( 1.911 -0.276 2.199) 2.926 8.703 ( -9.265 3.463 1.892) 10.070 8.996 ( 4.734 -7.550 0.521) 8.927 13.842 ( -6.711 5.480 -6.759) 10.989 14.509 ( 7.413 -8.218 9.539) 14.611 15.973 ( -10.558 -7.319 9.632) 16.057 16.140 ( -0.221 -6.911 -6.519) 9.503 17.092 ( 0.305 5.660 -1.321) 5.820 17.262 ( 7.699 9.442 -3.792) 12.759 ======================= Grid point 313 (168/226) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -12.996 7.417 0.903) 14.991 1.776 ( -4.849 -5.207 9.117) 11.565 2.103 ( 3.142 -7.269 -9.062) 12.034 2.523 ( 4.897 9.952 4.330) 11.906 2.725 ( 2.735 -3.466 3.013) 5.345 3.107 ( 4.004 -7.866 -0.890) 8.871 3.687 ( -5.437 6.287 -8.772) 12.084 3.964 ( -5.284 -6.891 -2.498) 9.036 4.577 ( 6.790 7.637 3.106) 10.681 4.818 ( -6.047 -1.567 2.490) 6.725 5.414 ( -2.425 -3.877 -5.065) 6.824 6.216 ( 6.017 -6.567 -0.073) 8.907 6.778 ( 4.050 -2.067 -4.444) 6.357 7.227 ( 1.356 -2.870 11.250) 11.689 7.678 ( 2.592 -3.176 -5.253) 6.663 8.062 ( -4.415 -1.059 -6.411) 7.856 8.359 ( -4.300 11.097 6.962) 13.787 8.700 ( 2.329 5.191 4.620) 7.329 13.865 ( -12.650 -6.590 8.288) 16.497 14.297 ( 7.755 11.689 -0.155) 14.029 15.656 ( 0.489 7.418 4.892) 8.899 16.105 ( 4.983 -2.810 6.805) 8.890 17.211 ( -0.119 -1.982 -4.210) 4.654 17.647 ( 0.070 -7.247 -10.182) 12.497 ======================= Grid point 314 (169/226) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -1.400 1.633 9.245) 9.492 1.666 ( -10.682 -5.258 15.613) 19.635 1.995 ( 3.084 -12.076 -14.257) 18.937 2.710 ( 4.849 3.883 -3.004) 6.900 2.773 ( 3.122 1.553 5.872) 6.830 3.085 ( 2.678 -2.852 -1.085) 4.060 3.583 ( -6.749 3.941 -6.663) 10.270 3.811 ( -2.819 -8.654 -0.611) 9.122 4.704 ( -6.124 -0.938 0.671) 6.231 4.804 ( 7.075 8.309 2.213) 11.136 5.287 ( -3.533 -7.885 0.314) 8.646 6.255 ( 5.840 -7.336 1.911) 9.569 6.724 ( -2.652 -6.269 -3.014) 7.445 7.295 ( 3.576 -2.226 5.849) 7.208 7.649 ( 1.253 -3.342 -3.753) 5.179 8.031 ( 2.818 4.216 -6.753) 8.445 8.367 ( -9.810 8.327 8.801) 15.589 8.869 ( 5.076 10.636 -0.655) 11.803 13.657 ( -10.740 -6.338 10.322) 16.188 14.586 ( 11.913 15.094 -4.117) 19.665 15.800 ( 1.421 10.878 6.012) 12.510 16.156 ( -0.579 0.406 1.230) 1.419 17.151 ( -0.937 -3.976 -2.876) 4.996 17.479 ( -0.489 -15.436 -6.068) 16.593 ======================= Grid point 315 (170/226) ======================= q-point: ( 0.45 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 8.323 -4.575 13.582) 16.573 1.513 ( -12.683 -5.923 17.971) 22.780 1.793 ( 0.170 -14.881 -15.470) 21.466 2.738 ( 2.339 -1.078 -4.819) 5.464 2.876 ( 1.582 1.538 2.458) 3.303 3.191 ( 4.867 10.241 0.568) 11.353 3.476 ( -1.256 -4.923 -3.401) 6.114 3.685 ( -4.733 -3.849 1.859) 6.378 4.591 ( -6.222 -0.939 0.968) 6.366 4.986 ( 6.343 2.788 -1.935) 7.194 5.167 ( -3.053 -6.353 4.816) 8.537 6.300 ( 5.294 -6.642 5.161) 9.939 6.554 ( -6.133 -7.393 -3.815) 10.336 7.368 ( 3.776 -1.362 2.182) 4.569 7.635 ( 2.042 -0.221 -2.914) 3.565 8.062 ( -2.318 0.058 -0.170) 2.325 8.372 ( -1.622 9.981 1.203) 10.184 9.031 ( 2.197 11.189 -3.136) 11.826 13.515 ( -6.271 -6.528 11.444) 14.591 14.915 ( 11.824 17.986 -11.219) 24.273 15.968 ( 0.658 10.796 5.501) 12.135 16.122 ( -3.967 3.957 -2.820) 6.273 17.066 ( -2.014 -7.592 1.520) 8.000 17.278 ( 0.099 -18.565 -1.500) 18.625 ======================= Grid point 316 (171/226) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -7.614 -6.393 16.386) 19.166 1.403 ( 10.045 -9.348 12.596) 18.626 1.561 ( -2.458 -10.156 -9.793) 14.321 2.726 ( -0.447 1.062 -4.782) 4.919 2.898 ( 0.079 1.113 -1.534) 1.897 3.315 ( -3.479 -0.594 -3.807) 5.191 3.444 ( 6.327 2.382 0.888) 6.819 3.646 ( -1.144 0.947 7.059) 7.214 4.506 ( -2.894 -0.686 2.038) 3.606 5.005 ( 3.571 -11.103 0.111) 11.664 5.161 ( -1.380 4.654 1.950) 5.232 6.325 ( -4.199 -7.819 -0.580) 8.894 6.396 ( 3.003 -3.185 2.343) 4.965 7.416 ( 2.296 -1.596 1.436) 3.143 7.681 ( 4.186 1.943 -2.871) 5.435 7.939 ( -11.230 -0.662 2.249) 11.472 8.510 ( 7.081 6.656 -2.577) 10.054 9.112 ( -1.759 9.418 -4.937) 10.778 13.465 ( -0.132 -6.778 11.550) 13.393 15.124 ( 0.987 17.457 -19.877) 26.473 16.036 ( 1.202 4.801 -5.855) 7.666 16.167 ( -0.543 9.311 5.725) 10.944 16.950 ( -1.838 -15.667 9.894) 18.621 17.134 ( 0.456 -9.917 -0.243) 9.931 ======================= Grid point 317 (172/226) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -5.589 -5.771 14.599) 16.663 1.414 ( -2.294 -0.254 -2.496) 3.399 1.593 ( 12.681 -10.039 8.143) 18.108 2.686 ( -2.818 2.033 -2.716) 4.411 2.902 ( 0.362 1.005 -3.131) 3.308 3.161 ( -2.528 -6.392 -6.517) 9.472 3.598 ( 3.491 3.803 1.022) 5.262 3.677 ( -4.818 3.991 8.829) 10.821 4.551 ( 6.075 1.891 3.010) 7.039 4.966 ( 3.640 -9.071 1.107) 9.837 5.168 ( -2.458 1.728 0.859) 3.125 6.147 ( -4.185 -6.254 -3.705) 8.388 6.483 ( 4.141 -0.976 5.043) 6.598 7.436 ( 0.886 -2.266 2.058) 3.187 7.707 ( -8.479 0.618 -7.578) 11.388 7.786 ( 0.113 2.020 4.442) 4.881 8.674 ( 8.145 1.700 -1.243) 8.413 9.095 ( -5.231 6.545 -6.228) 10.440 13.520 ( 6.218 -6.748 10.945) 14.282 15.019 ( -12.890 11.504 -21.955) 27.938 16.111 ( 5.837 2.172 -6.216) 8.799 16.256 ( 0.119 3.992 -0.406) 4.015 16.873 ( 0.953 -10.716 15.564) 18.920 17.088 ( -0.139 -1.820 1.798) 2.562 ======================= Grid point 318 (173/226) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 0.050 -6.399 6.783) 9.325 1.461 ( -1.429 13.175 5.345) 14.290 1.735 ( 10.689 -9.039 3.994) 14.557 2.641 ( -3.766 1.437 -1.207) 4.208 2.844 ( -3.644 -2.945 -1.760) 5.004 3.121 ( 7.140 0.258 -8.555) 11.146 3.544 ( -5.757 -6.530 2.451) 9.044 3.745 ( -4.287 10.563 7.247) 13.508 4.722 ( 8.154 1.409 -0.332) 8.281 4.960 ( 0.228 0.402 -3.691) 3.720 5.168 ( 3.206 -3.428 8.379) 9.604 6.041 ( -0.253 -3.534 -2.197) 4.169 6.557 ( 1.617 0.461 3.283) 3.688 7.371 ( -7.710 -5.380 -0.526) 9.416 7.541 ( -3.365 2.892 -4.319) 6.192 7.873 ( 3.001 2.366 2.330) 4.476 8.790 ( 7.000 -4.009 -0.002) 8.067 8.997 ( -7.372 4.065 -5.989) 10.331 13.668 ( 10.519 -5.917 9.450) 15.329 14.727 ( -15.230 5.584 -17.094) 23.566 16.119 ( 1.916 -6.683 -8.219) 10.765 16.231 ( -2.612 -3.224 0.882) 4.242 16.996 ( 6.114 4.937 9.966) 12.692 17.105 ( -0.678 2.921 3.941) 4.952 ======================= Grid point 319 (174/226) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 7.526 -3.109 -2.398) 8.489 1.637 ( -1.958 17.408 8.621) 19.524 1.832 ( 7.708 -5.468 0.580) 9.468 2.546 ( -6.236 -0.576 -1.907) 6.547 2.777 ( -0.248 -2.203 -0.259) 2.232 3.215 ( 5.268 -3.160 -5.261) 8.088 3.412 ( -2.331 -0.528 1.376) 2.758 3.787 ( -5.796 8.211 4.599) 11.053 4.817 ( 4.313 -1.400 0.167) 4.538 4.905 ( -3.085 0.301 -4.856) 5.761 5.343 ( 8.416 3.496 7.801) 11.996 6.038 ( 2.959 -0.669 -0.656) 3.104 6.582 ( -1.567 1.767 1.217) 2.657 7.142 ( -8.083 -6.684 -3.314) 11.000 7.550 ( 0.765 3.608 -0.836) 3.781 7.945 ( 1.328 1.406 2.003) 2.785 8.803 ( 3.037 -9.858 -4.954) 11.443 8.893 ( -5.352 2.687 1.551) 6.186 13.845 ( 8.136 -2.051 5.393) 9.974 14.464 ( -7.491 -1.077 -7.959) 10.983 15.972 ( -0.049 -11.842 -10.762) 16.001 16.135 ( -7.064 -5.044 7.081) 11.202 17.140 ( 0.918 3.387 1.360) 3.764 17.255 ( 5.375 13.590 4.010) 15.155 ======================= Grid point 324 (175/226) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -17.484 9.117 -4.800) 20.294 1.752 ( 5.870 -2.468 -1.378) 6.515 1.878 ( 4.479 -10.735 -12.700) 17.222 2.566 ( 2.830 6.871 4.080) 8.478 2.710 ( -0.091 -1.671 7.571) 7.754 2.965 ( 4.370 -6.707 1.093) 8.079 3.716 ( 0.324 -0.653 -5.238) 5.288 4.019 ( -9.581 -1.589 -7.638) 12.355 4.564 ( 4.999 5.366 4.037) 8.372 4.877 ( -2.460 -2.287 1.190) 3.564 5.409 ( -1.984 1.838 -8.872) 9.275 6.084 ( 2.544 -4.643 -0.367) 5.307 6.653 ( 5.757 0.256 -4.393) 7.246 7.274 ( -1.578 -4.774 13.768) 14.658 7.580 ( 1.276 -2.887 -5.338) 6.202 8.044 ( -1.554 -2.733 -7.607) 8.231 8.531 ( 5.093 13.105 5.668) 15.159 8.777 ( -5.066 -0.828 10.119) 11.346 13.941 ( 1.204 -3.118 -7.346) 8.070 14.332 ( -2.644 2.719 11.116) 11.745 15.779 ( 0.528 6.277 9.064) 11.038 16.021 ( 6.783 -1.207 10.153) 12.270 17.181 ( -1.076 -0.983 -4.416) 4.651 17.537 ( -2.842 -4.031 -14.877) 15.674 ======================= Grid point 325 (176/226) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -11.946 6.016 -0.283) 13.378 1.708 ( 4.222 -13.061 -13.974) 19.588 1.820 ( -2.145 -2.526 6.138) 6.975 2.636 ( 1.835 -0.887 -2.048) 2.890 2.792 ( 2.094 3.033 5.481) 6.605 3.005 ( 5.322 -0.988 3.515) 6.454 3.696 ( -1.275 2.401 -4.679) 5.412 3.759 ( -8.355 -7.947 -5.786) 12.901 4.734 ( 3.708 5.365 -1.134) 6.619 4.820 ( -1.773 -1.019 4.579) 5.015 5.321 ( -4.626 -0.715 -2.498) 5.305 6.108 ( 5.171 -4.209 0.497) 6.686 6.675 ( 0.594 -2.925 -3.936) 4.940 7.274 ( 0.247 -5.285 9.237) 10.645 7.560 ( 2.458 -2.347 -3.673) 5.004 7.988 ( 0.931 2.068 -6.973) 7.333 8.652 ( -8.801 6.502 7.657) 13.355 8.848 ( 7.410 5.652 2.657) 9.690 13.831 ( -8.452 -4.285 4.765) 10.607 14.467 ( 9.776 7.172 -2.648) 12.410 15.945 ( 2.174 9.483 10.059) 13.994 16.147 ( 2.771 -0.524 6.320) 6.921 17.124 ( -1.173 -1.720 -3.226) 3.840 17.325 ( -3.711 -10.084 -12.318) 16.346 ======================= Grid point 326 (177/226) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -2.581 -0.018 5.121) 5.735 1.546 ( 1.612 -10.558 -13.606) 17.297 1.764 ( -8.569 -4.092 14.373) 17.227 2.637 ( 3.088 -2.057 -4.911) 6.155 2.859 ( 2.772 -0.609 2.740) 3.945 3.185 ( 6.858 7.915 4.781) 11.512 3.494 ( -8.150 -4.832 -6.906) 11.725 3.696 ( 0.591 -1.353 -0.882) 1.720 4.692 ( -5.871 -0.477 1.426) 6.061 4.896 ( 3.247 -0.946 -0.230) 3.390 5.240 ( -3.920 0.903 3.101) 5.079 6.177 ( 6.061 -3.633 3.196) 7.755 6.565 ( -5.177 -5.792 -3.513) 8.526 7.310 ( 3.388 -2.314 3.819) 5.606 7.567 ( 2.644 -1.315 -2.385) 3.796 8.021 ( 3.859 2.217 -4.740) 6.502 8.573 ( -9.270 3.955 3.821) 10.778 9.041 ( 5.775 7.552 -1.280) 9.593 13.664 ( -9.940 -5.910 10.165) 15.397 14.739 ( 15.537 11.805 -12.436) 23.139 16.132 ( 0.885 9.812 8.437) 12.971 16.176 ( -1.705 0.688 0.377) 1.877 17.048 ( -4.221 -8.037 -0.827) 9.115 17.110 ( -0.003 -8.803 -4.095) 9.709 ======================= Grid point 327 (178/226) ======================= q-point: ( 0.55 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 5.640 -6.980 8.430) 12.313 1.434 ( -0.273 -0.497 -5.440) 5.470 1.629 ( -11.585 -7.337 16.771) 21.663 2.651 ( 4.141 -0.376 -6.452) 7.675 2.913 ( 0.928 1.252 0.953) 1.827 3.263 ( -2.296 -8.307 -5.906) 10.448 3.438 ( 4.236 9.180 3.655) 10.751 3.704 ( 0.913 0.662 2.940) 3.149 4.598 ( -6.292 0.407 3.535) 7.228 4.870 ( 0.799 -7.952 0.000) 7.992 5.242 ( -1.880 3.322 2.586) 4.610 6.282 ( 5.993 -1.975 5.513) 8.379 6.372 ( -6.850 -5.943 -4.425) 10.091 7.374 ( 3.304 -0.597 1.929) 3.872 7.597 ( 3.867 -0.224 -2.788) 4.773 8.052 ( -1.249 -1.007 0.076) 1.606 8.504 ( -2.606 4.452 -2.786) 5.863 9.158 ( 1.906 6.188 -4.482) 7.875 13.526 ( -6.316 -6.877 11.586) 14.880 15.021 ( 12.920 13.725 -20.429) 27.796 16.104 ( -6.134 4.061 -5.302) 9.068 16.245 ( 0.777 2.025 0.055) 2.170 16.892 ( -1.590 -13.794 12.360) 18.590 17.081 ( 0.283 -0.546 1.784) 1.887 ======================= Grid point 328 (179/226) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 10.177 -11.113 9.072) 17.589 1.424 ( -9.364 -6.517 15.746) 19.445 1.509 ( -1.396 7.597 4.172) 8.778 2.678 ( 2.668 0.994 -5.859) 6.514 2.918 ( -1.791 3.483 -2.084) 4.437 3.095 ( -2.562 -8.607 -7.152) 11.480 3.586 ( 1.662 2.886 3.505) 4.835 3.796 ( 3.521 3.204 7.285) 8.702 4.562 ( -2.491 3.832 4.326) 6.294 4.824 ( 3.542 -8.266 2.293) 9.281 5.234 ( -3.119 0.763 0.858) 3.323 6.167 ( -6.685 -4.785 -3.037) 8.764 6.416 ( 6.031 -0.024 4.165) 7.329 7.425 ( 1.226 -0.108 2.923) 3.171 7.652 ( 4.748 0.622 -6.485) 8.062 7.941 ( -9.183 -2.274 3.052) 9.941 8.548 ( 5.685 1.818 -4.965) 7.764 9.171 ( -2.176 4.381 -6.931) 8.483 13.470 ( -0.288 -7.230 11.562) 13.639 15.109 ( -1.177 9.806 -25.615) 27.452 16.034 ( -0.826 2.618 -6.944) 7.467 16.209 ( 1.552 -5.148 -7.505) 9.232 16.902 ( 0.634 -5.235 20.739) 21.399 17.119 ( -0.016 2.698 6.358) 6.906 ======================= Grid point 329 (180/226) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -7.654 -11.871 13.214) 19.342 1.454 ( 12.133 -12.021 8.465) 19.063 1.688 ( 0.050 18.162 6.929) 19.439 2.678 ( -0.558 0.632 -3.273) 3.380 2.884 ( -4.888 -3.142 -1.638) 6.037 2.975 ( 3.760 2.139 -10.542) 11.395 3.573 ( -4.048 -4.241 2.813) 6.503 3.937 ( 1.011 5.313 9.059) 10.551 4.614 ( 3.121 1.279 -1.718) 3.785 4.901 ( 6.637 0.794 4.841) 8.253 5.175 ( -2.619 -3.100 4.649) 6.171 6.032 ( -3.095 -2.351 -1.426) 4.140 6.528 ( 4.033 0.937 2.423) 4.797 7.426 ( -3.759 -2.856 2.183) 5.201 7.612 ( -3.943 2.472 -10.626) 11.601 7.867 ( 0.658 -0.043 5.458) 5.497 8.620 ( 6.200 -4.270 -3.926) 8.490 9.099 ( -4.907 3.473 -7.175) 9.361 13.520 ( 6.187 -7.066 11.049) 14.501 14.889 ( -11.748 2.710 -23.015) 25.981 15.963 ( -0.401 -6.855 -9.793) 11.960 16.194 ( 3.753 0.053 -4.751) 6.055 17.026 ( 2.836 1.920 12.761) 13.213 17.210 ( -0.345 5.674 11.392) 12.732 ======================= Grid point 330 (181/226) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( -0.728 -10.186 5.809) 11.748 1.601 ( 12.284 -9.598 6.783) 17.001 1.895 ( -1.729 17.102 6.030) 18.217 2.605 ( -4.453 -2.658 -4.823) 7.083 2.781 ( -1.588 -2.061 0.518) 2.653 3.067 ( 6.649 6.394 -8.911) 12.826 3.448 ( -4.862 -5.672 2.455) 7.864 4.012 ( -5.232 6.663 6.748) 10.831 4.676 ( 7.412 -2.979 -2.751) 8.449 4.932 ( -3.604 -0.948 -4.512) 5.852 5.303 ( 8.676 4.057 16.143) 18.771 6.001 ( 0.997 0.104 -0.072) 1.005 6.597 ( 1.677 1.513 0.542) 2.323 7.215 ( -10.917 -5.897 -6.630) 14.068 7.591 ( -0.223 5.972 -1.487) 6.158 7.943 ( 2.645 0.989 3.318) 4.357 8.598 ( 3.453 -11.277 -5.318) 12.937 9.014 ( -4.842 3.385 -2.780) 6.529 13.670 ( 11.073 -6.358 10.341) 16.431 14.558 ( -11.519 -1.784 -17.456) 20.990 15.805 ( -1.207 -8.461 -10.077) 13.213 16.203 ( -1.431 -2.119 1.529) 2.979 17.155 ( 2.311 4.312 3.163) 5.826 17.366 ( 1.661 9.925 10.161) 14.301 ======================= Grid point 335 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 6.772 -13.473 -13.239) 20.066 1.606 ( 12.445 0.539 -8.354) 14.998 1.814 ( -15.891 8.851 -6.457) 19.302 2.602 ( 1.240 1.188 4.723) 5.026 2.758 ( 4.688 1.490 11.507) 12.514 2.882 ( -3.631 -2.332 -0.267) 4.324 3.637 ( 0.882 -6.320 -4.115) 7.593 4.104 ( -4.478 1.948 -8.377) 9.697 4.557 ( 3.358 2.248 4.265) 5.875 4.908 ( -1.734 0.395 1.842) 2.561 5.378 ( -0.187 3.823 -14.853) 15.338 6.029 ( -0.026 -2.857 -1.023) 3.035 6.564 ( 3.089 2.239 -1.588) 4.132 7.326 ( -1.364 -9.195 13.725) 16.576 7.537 ( -1.370 1.527 -3.656) 4.192 7.986 ( 0.585 -1.054 -7.008) 7.111 8.522 ( 8.649 4.077 6.409) 11.511 8.950 ( -6.682 0.631 8.818) 11.081 13.750 ( 9.374 0.345 -13.361) 16.325 14.499 ( -4.688 -5.598 18.655) 20.033 15.782 ( 4.603 -4.417 9.244) 11.232 16.061 ( 1.453 8.417 9.231) 12.576 17.174 ( -2.120 0.287 -5.292) 5.708 17.486 ( -4.752 -0.399 -15.595) 16.307 ======================= Grid point 336 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 4.601 -11.646 -11.383) 16.922 1.579 ( -15.449 7.792 -6.898) 18.627 1.782 ( 7.938 2.069 -1.178) 8.287 2.613 ( -0.844 -3.043 1.829) 3.649 2.819 ( -1.041 -2.241 1.072) 2.693 2.955 ( 6.148 6.771 8.468) 12.464 3.590 ( 3.224 -7.182 -2.849) 8.372 3.889 ( -12.224 -1.719 -7.241) 14.311 4.710 ( 5.612 6.131 1.099) 8.384 4.880 ( -3.194 -0.839 3.744) 4.992 5.344 ( -0.146 3.277 -9.359) 9.917 6.020 ( 2.103 -1.243 -0.007) 2.443 6.612 ( 1.972 0.042 -2.784) 3.412 7.272 ( -0.984 -10.452 9.806) 14.366 7.512 ( -0.805 1.129 -1.817) 2.286 7.956 ( 0.267 1.575 -5.733) 5.951 8.754 ( 10.312 3.089 3.904) 11.451 8.881 ( -7.878 0.699 6.309) 10.118 13.841 ( 5.502 2.770 -8.212) 10.265 14.453 ( -3.419 -4.118 11.502) 12.686 15.931 ( 8.992 -3.103 10.654) 14.282 16.192 ( 0.683 4.703 5.218) 7.058 17.116 ( -1.613 0.548 -3.850) 4.210 17.283 ( -7.323 -1.514 -13.221) 15.189 ======================= Grid point 337 (184/226) ======================= q-point: ( 0.45 0.73 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -4.128 -1.083 -2.837) 5.125 1.402 ( -3.976 2.592 -7.080) 8.523 1.883 ( 0.345 -0.452 6.499) 6.524 2.562 ( -0.437 -3.732 -1.886) 4.204 2.817 ( 2.220 -1.702 1.929) 3.398 3.194 ( 6.377 10.009 6.175) 13.378 3.496 ( -3.680 -10.419 -5.568) 12.373 3.686 ( -3.802 0.547 -3.401) 5.130 4.801 ( -3.467 2.840 2.600) 5.181 4.857 ( 0.703 -0.525 0.704) 1.125 5.318 ( -1.907 2.963 -1.876) 3.991 6.077 ( 4.750 -0.269 1.723) 5.060 6.570 ( -3.175 -3.316 -2.866) 5.412 7.243 ( 2.757 -6.412 4.121) 8.106 7.516 ( 1.008 0.617 -0.464) 1.270 7.959 ( 1.975 2.045 -4.657) 5.456 8.765 ( -8.570 -1.263 3.544) 9.360 8.969 ( 8.710 3.809 -0.004) 9.507 13.823 ( -6.691 -2.384 4.510) 8.414 14.529 ( 10.288 4.305 -5.047) 12.242 16.112 ( 7.336 -2.907 8.668) 11.721 16.231 ( 0.239 -1.218 -1.021) 1.607 17.065 ( -8.614 -0.686 -5.871) 10.447 17.092 ( -1.187 1.865 -0.421) 2.250 ======================= Grid point 338 (185/226) ======================= q-point: (-0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -4.654 -1.683 0.916) 5.033 1.436 ( 2.719 8.093 0.948) 8.591 1.843 ( -8.806 -5.672 13.245) 16.886 2.535 ( 3.455 -1.057 -6.043) 7.041 2.880 ( 4.153 -0.189 2.587) 4.896 3.235 ( -7.102 -5.901 -7.592) 11.954 3.452 ( 6.496 6.110 3.928) 9.745 3.675 ( 2.107 -0.564 0.925) 2.369 4.757 ( -6.303 2.347 6.011) 9.020 4.823 ( -2.155 -3.594 -1.817) 4.567 5.319 ( -2.036 2.913 2.065) 4.110 6.191 ( 6.419 0.597 2.857) 7.052 6.421 ( -7.069 -4.499 -2.309) 8.691 7.286 ( 6.025 -2.828 -0.438) 6.670 7.543 ( 1.213 0.189 0.848) 1.492 8.004 ( 3.790 1.026 -3.111) 5.010 8.612 ( -8.175 -1.419 -1.334) 8.404 9.115 ( 5.515 2.964 -3.116) 6.994 13.672 ( -9.947 -6.269 10.459) 15.737 14.766 ( 15.489 8.935 -16.300) 24.196 16.161 ( 0.709 -8.323 -6.353) 10.494 16.184 ( -0.692 -0.710 -1.632) 1.910 16.944 ( -4.952 -0.564 9.477) 10.708 17.122 ( -0.568 4.898 3.640) 6.129 ======================= Grid point 339 (186/226) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 2.949 -8.793 4.518) 10.316 1.611 ( -3.046 5.283 10.429) 12.081 1.678 ( -7.334 -0.304 12.441) 14.445 2.575 ( 5.213 1.643 -7.615) 9.373 2.951 ( 2.037 -1.100 0.255) 2.329 3.023 ( -5.110 -3.566 -8.539) 10.571 3.608 ( 4.435 1.919 4.160) 6.376 3.750 ( 3.914 -0.096 4.917) 6.286 4.720 ( -5.058 0.024 -1.264) 5.213 4.748 ( -1.135 0.263 8.033) 8.117 5.307 ( -3.798 1.054 2.822) 4.847 6.216 ( -5.581 -4.798 -3.818) 8.291 6.354 ( 4.494 2.725 4.653) 7.020 7.378 ( 7.117 -0.280 -1.665) 7.314 7.562 ( 0.726 -0.618 -0.267) 0.990 8.024 ( -1.477 -2.270 0.641) 2.783 8.482 ( -1.701 -0.698 -6.422) 6.680 9.171 ( 1.280 2.491 -5.855) 6.490 13.528 ( -6.424 -7.461 11.592) 15.209 14.946 ( 9.476 4.946 -23.293) 25.629 16.034 ( 2.596 -9.341 -10.181) 14.058 16.103 ( -5.927 3.237 -6.404) 9.307 16.986 ( -0.313 -0.789 16.757) 16.779 17.212 ( -0.005 6.062 9.307) 11.107 ======================= Grid point 340 (187/226) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 9.767 -13.181 8.015) 18.258 1.398 ( -12.886 -14.250 16.261) 25.170 1.896 ( 2.114 16.948 6.737) 18.360 2.629 ( 3.615 1.893 -6.344) 7.543 2.823 ( -1.589 -8.296 -9.983) 13.077 2.997 ( -1.930 7.732 -1.872) 8.186 3.654 ( -5.050 -0.190 3.998) 6.444 3.880 ( 10.556 -4.220 8.857) 14.411 4.618 ( -3.331 -2.300 -3.384) 5.276 4.869 ( 4.487 6.004 6.832) 10.142 5.257 ( -5.149 0.539 7.035) 8.735 6.065 ( -4.493 -3.322 -1.416) 5.764 6.488 ( 4.317 3.404 2.048) 5.867 7.483 ( 0.416 1.287 4.407) 4.610 7.532 ( 2.646 -1.958 -11.244) 11.716 7.933 ( -4.951 -3.025 4.289) 7.215 8.462 ( 4.262 -2.769 -6.834) 8.517 9.145 ( -2.181 2.699 -7.044) 7.852 13.467 ( -0.256 -7.571 11.600) 13.854 14.849 ( -2.372 -5.166 -24.602) 25.250 15.920 ( -4.453 -1.465 -9.301) 10.415 16.070 ( 5.422 2.455 -7.874) 9.870 17.091 ( 0.998 1.644 12.763) 12.907 17.345 ( 0.350 5.402 14.095) 15.099 ======================= Grid point 341 (188/226) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -9.244 -15.326 13.298) 22.297 1.318 ( 13.900 -12.885 10.435) 21.636 2.083 ( -0.209 10.489 1.999) 10.680 2.589 ( -3.236 -4.313 -7.360) 9.124 2.735 ( 3.928 -0.967 -5.189) 6.580 3.064 ( 0.313 12.713 -4.022) 13.338 3.525 ( -8.345 -4.655 4.005) 10.361 4.085 ( 7.547 -1.132 9.338) 12.060 4.537 ( 1.000 -3.292 -4.359) 5.553 4.944 ( -1.897 -1.098 -4.560) 5.059 5.358 ( 4.031 8.011 19.571) 21.528 5.994 ( -0.623 -1.601 0.047) 1.718 6.585 ( 2.408 3.727 -0.312) 4.449 7.301 ( -10.747 -5.271 -8.623) 14.752 7.614 ( 4.081 5.323 -2.305) 7.092 7.922 ( 1.935 -1.303 6.028) 6.464 8.425 ( 1.360 -8.079 -6.276) 10.320 9.088 ( -2.934 3.265 -4.857) 6.547 13.517 ( 6.296 -7.327 11.374) 14.922 14.541 ( -6.544 -10.138 -20.556) 23.836 15.764 ( -5.886 -0.078 -8.615) 10.434 16.157 ( 5.028 1.473 -4.687) 7.030 17.197 ( 1.042 4.101 6.100) 7.424 17.497 ( 0.826 6.098 12.961) 14.348 ======================= Grid point 401 (189/226) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -0.000 -0.000 20.532) 20.532 1.287 ( 0.000 -0.000 20.532) 20.532 1.688 ( -0.000 -0.000 27.064) 27.064 2.694 ( -0.000 0.000 -8.733) 8.733 2.694 ( 0.000 0.000 -8.733) 8.733 3.597 ( 0.000 0.000 -14.110) 14.110 3.651 ( -0.000 -0.000 9.643) 9.643 3.651 ( 0.000 -0.000 9.643) 9.643 4.595 ( -0.000 0.000 -0.229) 0.229 4.595 ( 0.000 0.000 -0.229) 0.229 5.706 ( -0.000 -0.000 3.106) 3.106 6.780 ( 0.000 0.000 -3.932) 3.932 7.308 ( -0.000 -0.000 7.806) 7.806 7.525 ( -0.000 -0.000 0.222) 0.222 7.525 ( 0.000 0.000 0.222) 0.222 7.947 ( 0.000 0.000 -3.347) 3.347 7.997 ( -0.000 0.000 -4.838) 4.838 7.997 ( 0.000 0.000 -4.838) 4.838 13.664 ( -0.000 -0.000 13.129) 13.129 13.664 ( 0.000 -0.000 13.129) 13.129 15.844 ( -0.000 0.000 -8.629) 8.629 15.844 ( 0.000 0.000 -8.629) 8.629 17.406 ( 0.000 0.000 -1.901) 1.901 18.259 ( -0.000 -0.000 1.380) 1.380 ======================= Grid point 402 (190/226) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -12.280 -10.259 22.973) 27.997 1.595 ( 4.279 10.718 17.683) 21.116 1.939 ( 7.621 -0.240 21.680) 22.982 2.528 ( -4.357 -2.861 -8.181) 9.701 2.780 ( 6.211 3.030 -9.054) 11.390 3.436 ( -4.823 -1.964 -11.157) 12.312 3.604 ( -4.569 -1.984 5.804) 7.648 3.847 ( 6.506 2.379 9.415) 11.689 4.526 ( -0.558 -4.735 -2.485) 5.376 4.659 ( 1.009 4.863 0.547) 4.997 5.685 ( -3.458 -0.970 1.184) 3.782 6.705 ( -4.820 -2.775 -2.653) 6.163 7.122 ( -10.851 -9.757 6.619) 16.023 7.438 ( -6.103 -1.929 2.483) 6.866 7.644 ( 5.835 1.014 1.152) 6.033 7.872 ( 0.415 -1.900 -2.025) 2.808 8.064 ( 1.135 15.712 -8.823) 18.055 8.199 ( 15.589 -0.379 -2.629) 15.814 13.656 ( -0.353 -0.888 13.157) 13.192 13.910 ( 6.533 5.103 11.673) 14.317 15.690 ( -4.342 -1.973 -8.322) 9.592 15.946 ( 8.313 4.412 -7.945) 12.316 17.369 ( -2.038 -1.263 -2.083) 3.176 18.159 ( -8.244 -5.334 1.746) 9.973 ======================= Grid point 403 (191/226) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -6.908 -5.596 20.526) 22.369 1.841 ( 0.041 10.897 12.747) 16.770 2.141 ( 5.675 -4.715 12.113) 14.183 2.402 ( -1.866 -2.223 -6.002) 6.667 2.819 ( 1.511 -0.194 -4.264) 4.528 3.306 ( -1.111 0.930 -11.486) 11.577 3.533 ( -4.135 -2.048 3.491) 5.786 4.006 ( 3.287 2.015 4.499) 5.925 4.461 ( 2.009 -7.195 -0.878) 7.522 4.745 ( 1.441 7.386 1.379) 7.650 5.591 ( -5.778 -1.244 -1.924) 6.216 6.543 ( -8.588 -4.018 0.077) 9.482 6.926 ( -5.196 -8.305 0.368) 9.804 7.347 ( -5.224 -1.349 6.886) 8.748 7.708 ( 3.547 -4.422 -3.452) 6.637 7.927 ( 5.056 3.740 4.103) 7.509 8.155 ( -0.120 12.038 -10.261) 15.818 8.436 ( 11.798 1.602 1.665) 12.023 13.788 ( 5.205 1.872 13.984) 15.038 14.095 ( 2.653 4.385 4.886) 7.081 15.581 ( -1.777 -0.665 -3.736) 4.190 16.080 ( 6.541 3.663 -4.789) 8.896 17.295 ( -2.857 -1.962 -2.670) 4.375 17.941 ( -9.858 -7.029 -0.472) 12.117 ======================= Grid point 404 (192/226) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 3.052 1.753 10.827) 11.384 1.913 ( -4.643 0.415 2.619) 5.347 2.158 ( -3.159 -0.701 -4.307) 5.387 2.387 ( 4.389 -3.418 4.255) 7.003 2.801 ( -2.062 0.620 1.938) 2.896 3.239 ( -5.064 0.250 -0.823) 5.136 3.513 ( 5.349 -0.347 -5.920) 7.986 4.024 ( -1.287 -0.018 -4.981) 5.145 4.471 ( 3.689 -3.770 4.486) 6.924 4.861 ( 2.281 6.719 1.818) 7.325 5.455 ( -5.147 -2.336 -5.081) 7.600 6.361 ( -9.491 -2.095 1.705) 9.868 6.760 ( -3.553 -7.959 -4.774) 9.938 7.329 ( -1.910 -0.615 9.538) 9.747 7.668 ( -0.358 -2.430 -4.973) 5.547 8.119 ( 9.400 0.815 6.996) 11.746 8.166 ( -2.297 7.097 -9.496) 12.075 8.650 ( 7.314 3.953 6.342) 10.457 14.031 ( 9.636 2.659 15.605) 18.532 14.117 ( -4.019 2.764 -5.435) 7.303 15.592 ( 2.598 1.385 4.127) 5.069 16.158 ( 0.948 0.800 1.200) 1.726 17.215 ( -1.876 -1.514 -3.542) 4.285 17.703 ( -7.742 -5.978 -6.508) 11.749 ======================= Grid point 405 (193/226) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 12.084 7.006 0.177) 13.969 1.753 ( -5.802 -10.247 -5.532) 13.010 2.007 ( -9.478 2.875 -12.166) 15.688 2.476 ( 4.237 -3.260 7.644) 9.328 2.805 ( -1.957 3.625 4.281) 5.941 3.117 ( -8.709 -2.471 4.626) 10.166 3.606 ( 8.284 0.459 -7.315) 11.061 3.964 ( 1.417 -1.155 -8.741) 8.930 4.532 ( 1.459 1.034 3.961) 4.346 4.932 ( -1.478 2.374 0.513) 2.843 5.338 ( -0.787 -2.130 -6.657) 7.034 6.215 ( -8.357 1.181 2.070) 8.691 6.600 ( -2.125 -7.528 -5.764) 9.716 7.374 ( 0.732 -0.916 9.436) 9.508 7.604 ( -2.051 -0.284 -4.186) 4.670 8.110 ( -4.646 5.117 -7.796) 10.419 8.313 ( 9.286 -4.037 7.551) 12.631 8.842 ( 4.250 5.433 9.530) 11.764 13.959 ( -6.933 -2.449 -12.674) 14.652 14.347 ( 9.442 5.959 18.459) 21.574 15.725 ( 5.027 2.583 8.887) 10.531 16.135 ( -5.320 -3.217 7.538) 9.771 17.165 ( -0.291 -0.230 -4.296) 4.312 17.497 ( -3.360 -3.142 -14.159) 14.888 ======================= Grid point 406 (194/226) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -5.761 -14.523 -8.509) 17.791 1.579 ( 16.513 8.481 -6.197) 19.571 1.747 ( -14.930 4.124 -15.423) 21.858 2.553 ( 3.845 -3.713 7.292) 9.042 2.853 ( -1.294 4.079 6.648) 7.906 2.976 ( -7.407 -2.076 3.821) 8.589 3.664 ( 2.085 0.980 -4.905) 5.419 3.950 ( 5.044 -4.314 -9.041) 11.216 4.589 ( -0.055 4.485 2.312) 5.046 4.877 ( -1.162 -3.030 -3.584) 4.835 5.296 ( -0.354 1.271 -6.344) 6.480 6.126 ( -6.169 2.982 1.340) 6.982 6.490 ( 0.909 -5.513 -3.899) 6.814 7.440 ( 3.200 -3.062 6.814) 8.127 7.548 ( -3.328 1.703 -0.873) 3.839 8.023 ( -5.403 3.571 -5.875) 8.744 8.433 ( 4.979 -5.818 7.421) 10.663 9.015 ( 2.786 5.113 9.791) 11.391 13.712 ( -8.014 -3.710 -14.156) 16.685 14.665 ( 5.902 4.813 21.967) 23.250 15.884 ( 2.276 3.156 8.975) 9.782 16.037 ( -5.107 -6.251 10.647) 13.361 17.135 ( 0.080 0.324 -6.345) 6.354 17.369 ( 2.010 0.312 -18.204) 18.317 ======================= Grid point 413 (195/226) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -5.644 -8.705 20.745) 23.194 1.561 ( 8.362 -4.526 20.525) 22.621 2.112 ( -2.434 8.731 17.468) 19.680 2.534 ( -0.106 1.595 -8.554) 8.702 2.686 ( -0.760 4.796 -9.781) 10.920 3.349 ( 0.617 -6.477 -13.102) 14.629 3.653 ( 1.245 -5.514 9.916) 11.414 3.879 ( -1.306 2.462 7.648) 8.139 4.495 ( -3.179 -3.757 -1.364) 5.107 4.686 ( 2.850 6.706 -1.908) 7.532 5.682 ( 0.786 -5.665 1.032) 5.812 6.693 ( 0.024 -4.237 -2.530) 4.935 7.121 ( -2.404 -19.319 5.482) 20.225 7.527 ( 2.007 -1.108 1.163) 2.571 7.580 ( -2.401 0.970 1.396) 2.942 7.842 ( -3.392 -0.344 -0.508) 3.447 8.003 ( 9.540 6.974 -3.000) 12.193 8.253 ( -3.926 20.928 -7.371) 22.533 13.664 ( -0.284 -8.056 13.253) 15.512 14.059 ( 0.783 15.673 10.523) 18.894 15.702 ( 0.701 1.810 -8.233) 8.459 15.846 ( -0.664 5.811 -8.549) 10.359 17.354 ( -0.061 -3.141 -1.783) 3.612 18.156 ( -0.380 -11.814 2.087) 12.003 ======================= Grid point 414 (196/226) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -10.150 -7.683 22.828) 26.137 1.846 ( 12.266 -3.135 14.498) 19.247 2.167 ( -3.981 -2.452 5.487) 7.209 2.460 ( -6.450 6.752 -5.245) 10.710 2.733 ( 5.283 3.742 -5.653) 8.594 3.224 ( 0.876 -3.510 -11.150) 11.722 3.632 ( -5.233 -4.440 8.229) 10.715 3.947 ( 5.074 -3.469 3.348) 6.999 4.407 ( -1.920 -2.340 0.376) 3.050 4.793 ( 2.105 8.156 -1.449) 8.547 5.609 ( -2.038 -6.981 -1.091) 7.354 6.603 ( -3.755 -4.753 -0.640) 6.091 6.892 ( -4.466 -16.847 3.316) 17.742 7.492 ( -6.060 2.607 4.278) 7.863 7.607 ( 2.992 -2.290 -1.630) 4.105 7.819 ( 3.516 -3.037 -0.192) 4.650 8.284 ( 12.049 9.319 1.344) 15.291 8.343 ( -3.887 19.908 -8.176) 21.870 13.715 ( 5.675 -7.338 13.336) 16.245 14.265 ( -2.227 16.809 4.294) 17.491 15.635 ( -4.602 4.751 -3.910) 7.684 15.947 ( 8.770 5.601 -7.976) 13.111 17.289 ( -1.688 -4.407 -1.675) 5.008 17.975 ( -6.035 -14.915 1.933) 16.205 ======================= Grid point 415 (197/226) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -5.623 -3.717 19.176) 20.326 1.947 ( -4.160 -6.585 -6.025) 9.847 2.105 ( 4.765 -7.861 5.182) 10.552 2.412 ( -3.415 6.580 -0.899) 7.468 2.827 ( 1.891 3.705 1.489) 4.418 3.208 ( 5.053 1.826 -7.833) 9.498 3.505 ( -6.991 -6.228 4.379) 10.336 3.957 ( 1.396 -5.649 -5.357) 7.910 4.436 ( 3.225 1.403 6.306) 7.220 4.896 ( 1.935 7.249 -1.032) 7.573 5.467 ( -4.503 -7.262 -3.396) 9.194 6.484 ( -5.663 -3.137 1.585) 6.665 6.694 ( -3.235 -12.413 -0.924) 12.861 7.440 ( -5.899 1.359 6.657) 8.998 7.608 ( 1.503 -1.369 -4.284) 4.742 7.891 ( 9.250 -6.297 0.985) 11.233 8.394 ( -6.548 18.524 -5.756) 20.473 8.585 ( 10.822 7.294 4.632) 13.848 13.862 ( 9.905 -7.197 11.228) 16.612 14.336 ( -7.296 14.439 -2.997) 16.452 15.648 ( -0.748 7.497 4.425) 8.738 16.099 ( 7.221 4.398 -4.934) 9.789 17.202 ( -1.864 -4.245 -1.802) 4.974 17.710 ( -7.684 -14.533 -1.585) 16.516 ======================= Grid point 416 (198/226) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 2.170 1.134 9.774) 10.076 1.685 ( -6.006 -13.391 -10.741) 18.187 2.079 ( -3.353 0.491 -7.903) 8.599 2.463 ( 1.030 0.686 7.150) 7.256 2.882 ( -0.292 3.893 1.647) 4.238 3.248 ( -4.808 -2.249 5.726) 7.807 3.413 ( 6.382 -1.820 -6.565) 9.335 3.863 ( 0.007 -5.141 -7.513) 9.104 4.560 ( 2.439 4.659 4.573) 6.969 4.969 ( -0.072 2.993 -1.506) 3.352 5.307 ( -2.906 -4.645 -3.561) 6.534 6.378 ( -6.239 -0.790 3.041) 6.985 6.521 ( -3.133 -8.361 -4.362) 9.937 7.406 ( -2.285 -1.610 4.991) 5.721 7.587 ( 0.318 -0.551 -3.651) 3.706 7.991 ( 8.749 -7.469 1.859) 11.653 8.420 ( -6.326 14.460 -1.990) 15.909 8.845 ( 7.887 5.612 7.165) 12.043 13.944 ( -0.203 -3.492 -4.911) 6.029 14.378 ( 2.730 6.661 8.519) 11.153 15.789 ( 1.408 9.623 9.286) 13.446 16.191 ( 1.182 0.863 1.215) 1.902 17.135 ( -0.340 -2.275 -2.613) 3.481 17.431 ( -5.916 -11.464 -8.731) 15.577 ======================= Grid point 417 (199/226) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 5.599 -1.304 -2.833) 6.409 1.393 ( -0.828 -6.937 -7.496) 10.247 1.920 ( -10.259 4.503 -13.806) 17.780 2.516 ( 1.697 -3.186 7.719) 8.521 2.924 ( 0.483 3.313 0.061) 3.348 3.122 ( -8.913 -3.807 8.673) 13.007 3.530 ( 9.364 0.109 -5.933) 11.086 3.790 ( 2.099 -4.783 -6.159) 8.075 4.652 ( 0.314 7.342 -0.429) 7.361 4.885 ( -5.728 -3.711 -3.287) 7.576 5.283 ( 1.578 2.131 -1.859) 3.239 6.292 ( -6.757 1.270 3.613) 7.767 6.388 ( -0.377 -5.256 -5.472) 7.597 7.386 ( 0.844 -4.641 2.289) 5.243 7.571 ( 0.027 -0.285 -1.226) 1.259 8.044 ( 2.959 -4.102 0.706) 5.107 8.448 ( -3.265 7.400 2.944) 8.607 9.045 ( 5.173 3.162 7.646) 9.758 13.765 ( -9.467 0.566 -13.572) 16.558 14.646 ( 12.552 -0.968 19.160) 22.926 15.966 ( 0.982 9.411 9.224) 13.214 16.159 ( -6.153 -4.174 7.969) 10.899 17.103 ( -0.952 -0.936 -5.418) 5.580 17.214 ( 0.906 -4.554 -15.454) 16.137 ======================= Grid point 424 (200/226) ======================= q-point: ( 0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 12.917 -5.760 21.140) 25.435 1.683 ( -10.604 -8.283 17.726) 22.254 2.240 ( 1.268 -0.994 -0.138) 1.617 2.504 ( 4.309 9.946 1.787) 10.986 2.757 ( -5.563 4.211 -7.186) 10.016 3.186 ( 0.279 -5.797 -12.355) 13.650 3.596 ( 4.469 -5.154 7.049) 9.809 3.964 ( -3.814 -3.628 3.132) 6.125 4.561 ( -4.439 2.872 2.302) 5.766 4.672 ( 3.091 4.856 -2.825) 6.413 5.578 ( 2.806 -8.722 0.191) 9.164 6.591 ( 4.747 -6.290 -0.574) 7.901 6.970 ( 2.144 -13.036 0.937) 13.244 7.432 ( 4.746 -2.726 4.830) 7.300 7.717 ( -9.885 -3.063 -2.516) 10.650 7.861 ( 8.596 10.269 -1.602) 13.488 8.020 ( -7.885 3.614 1.008) 8.732 8.471 ( -3.396 17.261 -4.540) 18.168 13.723 ( -6.042 -7.553 13.371) 16.503 14.234 ( 3.447 15.477 4.894) 16.595 15.625 ( 4.246 4.263 -3.451) 6.936 15.957 ( -8.340 5.955 -7.917) 12.950 17.293 ( 1.521 -4.057 -1.882) 4.724 17.991 ( 5.423 -13.846 1.149) 14.914 ======================= Grid point 425 (201/226) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -6.736 -6.347 20.590) 22.575 1.666 ( 10.518 -8.359 17.026) 21.688 2.158 ( -1.883 -9.006 -8.868) 12.779 2.642 ( -7.766 5.894 -7.398) 12.239 2.708 ( 3.445 11.857 4.908) 13.287 3.084 ( 2.393 -4.188 -10.086) 11.180 3.676 ( 3.161 -4.375 9.483) 10.912 3.847 ( -1.956 -9.356 -0.901) 9.600 4.481 ( -5.708 0.946 2.657) 6.366 4.812 ( 4.024 9.316 -2.974) 10.575 5.519 ( 1.355 -11.037 0.465) 11.129 6.576 ( 0.697 -5.503 -0.054) 5.547 6.804 ( -3.159 -17.151 2.577) 17.629 7.497 ( 4.012 -2.689 1.035) 4.939 7.614 ( -1.385 1.821 -0.356) 2.315 7.889 ( -10.960 2.113 2.265) 11.389 8.153 ( 13.068 10.448 -1.565) 16.804 8.569 ( -3.206 19.299 -5.944) 20.446 13.674 ( -0.190 -7.790 13.554) 15.634 14.465 ( 1.311 17.881 -1.134) 17.965 15.736 ( 1.239 8.212 -0.980) 8.363 15.861 ( -1.349 6.423 -8.473) 10.718 17.246 ( -0.181 -5.624 -0.936) 5.704 17.879 ( -0.656 -18.807 2.518) 18.986 ======================= Grid point 426 (202/226) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -8.701 -6.245 20.526) 23.152 1.847 ( 3.479 -8.466 -4.765) 10.319 1.949 ( 3.182 -13.479 2.421) 14.060 2.545 ( -5.532 6.369 -4.807) 9.709 2.871 ( 0.521 6.345 4.159) 7.604 3.087 ( 5.371 3.857 -7.697) 10.148 3.597 ( -8.093 -8.260 3.978) 12.229 3.818 ( 5.312 -6.713 -0.459) 8.572 4.463 ( -0.056 1.840 5.416) 5.720 4.927 ( 1.640 8.329 -3.556) 9.204 5.414 ( -1.041 -10.853 -0.240) 10.906 6.497 ( -2.811 -6.355 -2.377) 7.344 6.633 ( -1.517 -12.111 5.333) 13.320 7.531 ( 2.849 -2.064 -1.160) 3.704 7.636 ( -5.301 3.630 5.828) 8.675 7.750 ( -1.648 -1.786 -3.319) 4.114 8.459 ( 11.963 8.549 -1.410) 14.771 8.655 ( -4.054 17.344 -3.356) 18.125 13.729 ( 5.593 -7.548 12.827) 15.900 14.563 ( -5.755 15.680 -9.663) 19.297 15.800 ( -2.409 11.146 4.443) 12.238 15.969 ( 8.579 6.217 -6.810) 12.595 17.174 ( -1.215 -5.676 0.019) 5.804 17.652 ( -4.897 -19.790 1.953) 20.480 ======================= Grid point 427 (203/226) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -4.866 -4.485 15.300) 16.669 1.578 ( -5.719 -13.067 -12.043) 18.668 2.016 ( 4.742 -5.410 0.222) 7.198 2.529 ( -1.953 3.946 1.827) 4.767 2.913 ( 0.128 1.227 -0.420) 1.303 3.212 ( 6.432 5.657 -5.875) 10.387 3.409 ( -7.386 -5.889 5.129) 10.750 3.786 ( -0.519 -5.160 -2.639) 5.819 4.576 ( 4.584 3.618 5.887) 8.292 4.982 ( -0.023 4.473 -4.991) 6.702 5.287 ( -2.211 -7.121 0.420) 7.468 6.356 ( -1.351 -9.621 -3.463) 10.314 6.560 ( -3.546 -2.977 5.162) 6.934 7.511 ( -8.761 0.266 -1.126) 8.837 7.544 ( 1.088 -1.966 0.105) 2.249 7.813 ( 7.390 -2.276 2.376) 8.089 8.629 ( -2.295 12.240 -5.407) 13.576 8.794 ( 6.832 7.172 3.802) 10.610 13.843 ( 6.476 -5.808 7.224) 11.308 14.499 ( -6.837 9.449 -8.422) 14.386 15.950 ( 0.286 12.927 8.108) 15.262 16.126 ( 7.252 4.249 -4.797) 9.678 17.107 ( -0.885 -4.080 0.449) 4.199 17.369 ( -6.780 -17.100 -1.312) 18.442 ======================= Grid point 428 (204/226) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -1.519 -4.656 -4.758) 6.828 1.342 ( -1.922 -3.876 4.378) 6.155 1.984 ( -2.172 0.135 -8.585) 8.857 2.539 ( -1.846 -0.556 4.893) 5.259 2.907 ( 0.491 -1.804 -2.334) 2.990 3.273 ( 1.327 -2.489 -0.873) 2.953 3.364 ( -0.234 4.045 3.566) 5.398 3.711 ( -0.249 -3.924 -2.444) 4.630 4.707 ( 1.817 6.182 0.857) 6.500 4.923 ( -4.078 -2.311 -4.091) 6.222 5.261 ( 1.985 0.879 0.870) 2.339 6.240 ( 0.936 -8.381 -3.515) 9.137 6.497 ( -6.596 1.826 3.575) 7.721 7.371 ( -4.155 -3.697 -1.553) 5.775 7.544 ( 1.109 -1.509 -0.742) 2.014 7.929 ( 6.191 -2.946 4.561) 8.235 8.634 ( -6.080 10.403 -2.739) 12.357 8.992 ( 7.708 1.138 4.154) 8.830 13.842 ( -4.802 1.083 -7.214) 8.734 14.528 ( 7.318 -1.384 7.927) 10.876 16.115 ( -0.378 9.682 6.632) 11.742 16.215 ( 1.389 0.308 0.497) 1.507 17.081 ( 1.119 -0.906 -0.712) 1.606 17.099 ( -5.693 -9.522 -6.680) 12.950 ======================= Grid point 435 (205/226) ======================= q-point: ( 0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 7.485 -4.006 17.598) 19.539 1.861 ( -6.499 -5.793 11.148) 14.145 2.103 ( 3.451 -7.540 -11.393) 14.092 2.546 ( 4.757 9.604 1.453) 10.816 2.808 ( 0.384 -0.160 1.722) 1.772 3.131 ( -5.363 -2.240 -7.650) 9.607 3.521 ( 2.288 -1.591 1.467) 3.149 3.957 ( -1.277 -6.361 -2.644) 7.005 4.625 ( 5.666 8.347 0.007) 10.088 4.736 ( -8.227 0.403 3.017) 8.772 5.443 ( 2.732 -7.756 -1.237) 8.316 6.417 ( 7.296 -7.690 1.232) 10.672 6.821 ( 3.649 -5.833 -3.929) 7.923 7.390 ( 1.569 -2.440 7.237) 7.797 7.709 ( 2.749 -3.329 -2.782) 5.136 7.885 ( -4.712 2.799 -6.803) 8.736 8.247 ( -6.638 10.256 6.793) 13.978 8.647 ( -3.146 10.829 -0.221) 11.279 13.867 ( -9.585 -7.944 10.962) 16.587 14.291 ( 6.679 13.079 -0.978) 14.718 15.647 ( 0.257 7.511 4.560) 8.790 16.100 ( -6.557 4.078 -4.665) 9.021 17.210 ( 1.875 -3.581 -2.331) 4.666 17.737 ( 7.768 -13.133 -2.902) 15.532 ======================= Grid point 436 (206/226) ======================= q-point: ( 0.45 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 12.141 -6.985 17.537) 22.444 1.736 ( -9.665 -6.659 13.206) 17.668 1.975 ( 1.542 -12.480 -12.894) 18.010 2.672 ( 1.751 4.410 -7.380) 8.774 2.861 ( 0.604 4.707 7.305) 8.711 3.007 ( -2.950 4.299 -6.684) 8.477 3.569 ( 5.764 -5.666 3.910) 8.979 3.825 ( -4.207 -8.351 -0.873) 9.391 4.609 ( -6.265 -0.132 0.484) 6.285 4.821 ( 4.208 10.303 -0.289) 11.133 5.386 ( 1.458 -10.962 1.675) 11.184 6.467 ( 5.686 -6.926 2.262) 9.243 6.717 ( -3.055 -11.461 -1.836) 12.003 7.429 ( 2.313 -2.902 3.880) 5.369 7.629 ( -1.450 -1.333 -3.062) 3.641 7.992 ( 7.637 6.043 -4.775) 10.846 8.206 ( -10.424 8.401 6.138) 14.728 8.742 ( -0.709 15.634 -4.132) 16.186 13.734 ( -5.650 -7.663 13.163) 16.245 14.526 ( 7.135 15.141 -8.051) 18.573 15.786 ( 1.603 10.513 4.434) 11.522 15.986 ( -7.615 6.578 -6.538) 12.000 17.181 ( 0.854 -5.190 -0.609) 5.295 17.670 ( 4.005 -19.447 0.686) 19.867 ======================= Grid point 437 (207/226) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -8.338 -7.806 7.380) 13.598 1.639 ( 10.499 -7.923 7.258) 15.023 1.781 ( -1.113 -14.657 0.611) 14.711 2.641 ( -2.939 4.112 -6.846) 8.510 2.899 ( 0.524 -1.858 -1.092) 2.218 3.099 ( 1.165 14.712 1.297) 14.815 3.584 ( 1.060 -11.309 -4.396) 12.179 3.721 ( 0.443 -3.086 8.979) 9.505 4.528 ( -3.438 -0.008 2.369) 4.175 4.957 ( 2.108 8.493 -3.941) 9.597 5.307 ( 0.720 -11.485 3.423) 12.006 6.467 ( -2.947 -6.121 -3.133) 7.482 6.550 ( 1.541 -11.434 5.706) 12.871 7.462 ( 2.515 -2.160 1.249) 3.543 7.632 ( 2.935 1.297 -2.077) 3.823 7.952 ( -12.690 1.094 2.686) 13.017 8.330 ( 10.184 9.672 -3.225) 14.411 8.843 ( -2.248 14.727 -4.812) 15.655 13.691 ( -0.303 -7.830 13.847) 15.910 14.684 ( 1.056 15.649 -16.036) 22.431 15.880 ( 0.860 6.433 -8.275) 10.517 15.996 ( -0.947 11.825 6.979) 13.764 17.135 ( -0.235 -5.260 1.232) 5.408 17.511 ( -0.331 -21.324 3.541) 21.619 ======================= Grid point 438 (208/226) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -3.458 -6.444 -6.035) 9.482 1.562 ( -8.100 -9.278 11.935) 17.150 1.838 ( 9.599 -9.433 6.597) 14.988 2.606 ( -2.206 4.260 -2.590) 5.452 2.882 ( 1.406 -1.280 -3.539) 4.017 3.197 ( -2.510 3.131 -3.970) 5.645 3.487 ( -0.380 1.252 2.483) 2.807 3.757 ( -0.857 -3.880 5.803) 7.034 4.552 ( 3.767 0.729 4.383) 5.825 4.998 ( -0.711 3.850 -6.962) 7.987 5.245 ( 0.303 -7.311 5.126) 8.934 6.280 ( -3.955 -9.437 -3.497) 10.813 6.570 ( 2.279 -4.384 6.367) 8.059 7.485 ( 1.896 -1.556 0.051) 2.454 7.659 ( -3.594 -1.399 -6.463) 7.526 7.782 ( -5.533 2.704 6.842) 9.206 8.580 ( 11.217 6.558 -3.185) 13.377 8.888 ( -3.603 10.713 -4.739) 12.256 13.737 ( 4.697 -7.458 12.334) 15.159 14.654 ( -7.342 12.293 -18.170) 23.134 15.968 ( 7.994 6.912 -8.733) 13.709 16.138 ( -0.424 9.032 5.798) 10.741 17.092 ( -0.829 -4.005 2.815) 4.965 17.304 ( -4.107 -17.772 5.729) 19.119 ======================= Grid point 439 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -1.604 3.634 -3.666) 5.405 1.425 ( -7.016 -8.116 14.170) 17.773 1.900 ( 4.656 -5.696 -1.061) 7.432 2.603 ( -2.117 1.744 1.051) 2.937 2.870 ( 0.104 -1.519 -3.304) 3.638 3.115 ( 3.046 -3.809 -7.513) 8.958 3.580 ( -4.034 10.181 8.463) 13.840 3.681 ( -3.351 -5.580 1.574) 6.697 4.692 ( 6.625 2.204 3.012) 7.604 4.931 ( -3.035 -0.383 -6.969) 7.611 5.252 ( 1.404 -0.899 5.133) 5.397 6.136 ( -0.697 -7.673 -2.528) 8.109 6.593 ( -0.850 -1.228 4.846) 5.071 7.439 ( -9.409 -1.452 -7.637) 12.205 7.505 ( 0.990 -2.764 1.918) 3.507 7.865 ( 3.810 1.103 5.726) 6.965 8.763 ( 2.878 7.612 -3.842) 9.000 8.895 ( 1.821 1.542 -2.507) 3.461 13.826 ( 4.192 -3.946 5.887) 8.234 14.523 ( -5.210 4.929 -9.748) 12.102 16.120 ( 7.813 2.611 -7.598) 11.207 16.212 ( -0.114 3.908 -0.236) 3.917 17.067 ( -0.785 -2.881 4.581) 5.468 17.128 ( -5.955 -6.012 6.090) 10.426 ======================= Grid point 446 (210/226) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -2.891 0.947 8.190) 8.737 1.861 ( 4.623 -10.685 -12.154) 16.830 1.887 ( 3.684 -2.225 -1.814) 4.670 2.575 ( 0.695 5.297 1.445) 5.534 2.799 ( 1.354 -0.748 4.848) 5.089 3.130 ( 0.559 -6.766 2.972) 7.411 3.553 ( -4.650 6.147 -5.388) 9.405 3.878 ( -0.870 -5.908 -6.328) 8.701 4.608 ( 3.886 5.590 -0.819) 6.857 4.879 ( -4.558 -0.716 5.080) 6.862 5.332 ( 2.054 -2.800 -4.297) 5.525 6.231 ( 6.298 -7.512 1.745) 9.957 6.682 ( 5.023 -1.120 -5.717) 7.692 7.416 ( -1.265 -1.877 8.335) 8.637 7.607 ( 3.207 -3.515 -1.724) 5.061 7.920 ( -4.345 -2.144 -8.018) 9.368 8.488 ( -1.820 13.905 6.426) 15.426 8.797 ( -5.079 3.053 5.238) 7.909 13.920 ( 1.018 -4.260 -5.060) 6.692 14.365 ( -4.086 5.640 10.839) 12.884 15.795 ( -1.542 9.890 9.310) 13.670 16.184 ( -1.574 0.653 1.136) 2.048 17.141 ( 0.886 -2.047 -3.147) 3.857 17.457 ( 6.327 -10.253 -9.951) 15.626 ======================= Grid point 447 (211/226) ======================= q-point: ( 0.45 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 6.021 -4.886 12.778) 14.947 1.688 ( 1.670 -12.923 -17.516) 21.831 1.913 ( -2.664 -3.370 10.244) 11.108 2.615 ( 1.977 1.774 -6.089) 6.643 2.875 ( 2.081 0.749 3.997) 4.568 3.112 ( -0.576 3.590 3.866) 5.308 3.490 ( -2.291 -1.309 -3.866) 4.681 3.781 ( 0.024 -6.598 -1.668) 6.806 4.671 ( -1.478 2.633 -3.943) 4.966 4.878 ( -0.012 3.724 5.478) 6.624 5.296 ( 0.216 -5.507 0.051) 5.512 6.297 ( 7.674 -6.504 2.742) 10.427 6.652 ( -1.277 -5.616 -4.613) 7.379 7.412 ( -0.558 -4.088 6.529) 7.723 7.590 ( 1.309 -3.367 -2.788) 4.563 7.902 ( 4.736 5.753 -6.605) 9.958 8.514 ( -11.265 6.211 7.086) 14.686 8.847 ( 1.279 10.665 -1.907) 10.909 13.841 ( -5.172 -5.583 7.511) 10.692 14.470 ( 5.829 8.996 -5.354) 11.982 15.948 ( -1.499 12.693 8.216) 15.194 16.122 ( -5.861 3.992 -4.327) 8.308 17.118 ( 0.941 -3.293 -0.895) 3.540 17.388 ( 6.327 -17.212 -3.344) 18.641 ======================= Grid point 448 (212/226) ======================= q-point: ( 0.55 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 6.920 -6.845 1.430) 9.839 1.493 ( 2.824 -11.405 -3.253) 12.191 1.856 ( -7.881 -5.700 15.059) 17.927 2.614 ( 2.278 0.534 -8.114) 8.445 2.896 ( -1.225 0.576 0.003) 1.353 3.245 ( 1.179 12.470 4.532) 13.321 3.407 ( 2.410 -9.703 -4.257) 10.866 3.744 ( 0.269 -2.556 4.974) 5.599 4.606 ( -4.837 0.526 -0.243) 4.872 4.955 ( 2.382 1.621 -0.772) 2.983 5.248 ( -0.795 -4.508 3.612) 5.831 6.387 ( 6.583 -4.890 3.422) 8.886 6.490 ( -5.573 -8.829 -2.312) 10.693 7.417 ( 1.780 -2.402 2.582) 3.950 7.583 ( 1.838 -0.080 -2.425) 3.044 8.031 ( 5.644 2.744 -2.377) 6.710 8.396 ( -9.589 5.630 1.122) 11.176 8.957 ( 0.297 11.223 -4.983) 12.283 13.749 ( -5.015 -7.431 13.194) 15.952 14.638 ( 7.817 12.854 -16.630) 22.425 15.955 ( -7.232 6.695 -7.473) 12.368 16.149 ( -0.138 8.800 4.938) 10.092 17.099 ( 0.451 -3.236 1.647) 3.659 17.302 ( 4.165 -18.621 4.487) 19.602 ======================= Grid point 449 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -0.994 1.877 -6.943) 7.260 1.608 ( 10.878 -11.398 9.928) 18.623 1.732 ( -9.847 -8.200 16.948) 21.247 2.615 ( 2.135 1.795 -7.029) 7.562 2.861 ( -2.441 0.910 -2.277) 3.460 3.223 ( -3.884 -6.904 -6.009) 9.943 3.493 ( 5.222 7.674 4.577) 10.349 3.798 ( 1.094 0.232 8.945) 9.014 4.550 ( -1.746 0.390 1.738) 2.494 4.963 ( 1.484 -3.477 -3.050) 4.858 5.235 ( -0.763 -1.266 5.018) 5.231 6.267 ( -6.517 -7.426 -3.463) 10.470 6.491 ( 5.775 -4.474 5.914) 9.399 7.448 ( 1.990 -0.698 1.155) 2.404 7.607 ( 2.275 0.150 -4.347) 4.908 7.997 ( -9.859 -0.950 4.461) 10.863 8.435 ( 8.112 6.338 -5.493) 11.668 8.999 ( -2.422 8.529 -7.338) 11.509 13.706 ( -0.633 -8.251 14.028) 16.287 14.725 ( 0.005 13.225 -21.900) 25.583 15.894 ( 0.333 5.895 -8.909) 10.688 16.220 ( -0.116 2.082 -1.049) 2.334 17.091 ( -0.280 -2.463 4.140) 4.825 17.239 ( 0.603 -12.113 12.359) 17.316 ======================= Grid point 450 (214/226) ======================= q-point: (-0.27 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -0.613 13.514 1.896) 13.660 1.570 ( -9.272 -10.813 16.046) 21.456 1.722 ( 8.314 -9.795 5.635) 14.029 2.634 ( 1.096 1.905 -3.188) 3.872 2.828 ( 0.428 1.677 -4.932) 5.226 3.034 ( -3.992 -7.831 -6.243) 10.781 3.636 ( 1.616 1.154 3.264) 3.821 3.854 ( -4.800 6.347 9.707) 12.552 4.596 ( 5.429 0.135 0.957) 5.514 4.923 ( -0.367 -1.498 -3.806) 4.107 5.257 ( 0.908 -1.369 7.351) 7.533 6.096 ( -3.754 -5.479 -1.712) 6.859 6.571 ( 3.749 -2.891 4.542) 6.561 7.480 ( 0.927 1.143 -0.412) 1.528 7.528 ( -6.917 -3.119 -7.703) 10.812 7.902 ( -2.718 0.668 7.260) 7.781 8.624 ( 11.255 1.785 -4.052) 12.095 8.955 ( -4.611 5.605 -8.828) 11.429 13.743 ( 4.317 -7.522 12.443) 15.168 14.628 ( -7.829 8.857 -19.586) 22.876 15.958 ( 6.446 2.741 -9.659) 11.931 16.183 ( 1.102 -3.356 -6.938) 7.786 17.093 ( -0.751 -1.189 5.665) 5.837 17.241 ( -3.035 -1.788 15.874) 16.260 ======================= Grid point 534 (215/226) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -0.000 -0.000 17.513) 17.513 1.639 ( 0.000 -0.000 17.513) 17.513 2.153 ( -0.000 -0.000 23.108) 23.108 2.518 ( 0.000 0.000 -10.212) 10.212 2.518 ( 0.000 0.000 -10.212) 10.212 3.327 ( 0.000 0.000 -15.027) 15.027 3.839 ( -0.000 -0.000 10.243) 10.243 3.839 ( 0.000 -0.000 10.243) 10.243 4.561 ( 0.000 0.000 -3.269) 3.269 4.561 ( 0.000 0.000 -3.269) 3.269 5.747 ( -0.000 -0.000 1.467) 1.467 6.715 ( 0.000 0.000 -2.907) 2.907 7.461 ( -0.000 -0.000 8.535) 8.535 7.537 ( -0.000 -0.000 1.027) 1.027 7.537 ( 0.000 -0.000 1.027) 1.027 7.870 ( 0.000 0.000 -5.035) 5.035 7.909 ( -0.000 0.000 -4.396) 4.396 7.909 ( 0.000 0.000 -4.396) 4.396 13.900 ( -0.000 -0.000 11.667) 11.667 13.900 ( 0.000 -0.000 11.667) 11.667 15.683 ( -0.000 0.000 -8.285) 8.285 15.683 ( 0.000 0.000 -8.285) 8.285 17.375 ( 0.000 0.000 -1.400) 1.400 18.281 ( -0.000 -0.000 0.990) 0.990 ======================= Grid point 535 (216/226) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -10.317 -8.020 20.218) 24.073 1.882 ( 3.247 6.743 12.568) 14.627 2.284 ( -1.331 -0.942 12.326) 12.434 2.374 ( -0.719 -3.586 -5.930) 6.967 2.605 ( 8.222 4.370 -8.282) 12.462 3.194 ( -3.175 -0.966 -13.526) 13.927 3.761 ( -7.531 -2.775 9.534) 12.463 3.997 ( 3.459 1.074 5.451) 6.544 4.480 ( 0.757 -4.839 -1.647) 5.168 4.633 ( 2.620 5.989 -3.166) 7.263 5.699 ( -4.828 -2.227 0.343) 5.328 6.661 ( -3.429 -1.925 -1.842) 4.342 7.203 ( -14.103 -9.590 2.453) 17.230 7.505 ( -2.619 -2.458 4.169) 5.503 7.650 ( 3.829 -2.344 -0.703) 4.544 7.859 ( 0.518 6.266 0.620) 6.318 7.931 ( 2.991 7.185 -5.007) 9.254 8.144 ( 16.661 4.668 -3.238) 17.603 13.907 ( 0.546 -0.440 13.277) 13.295 14.071 ( 2.934 2.860 4.904) 6.390 15.571 ( -1.767 -0.753 -3.806) 4.263 15.786 ( 9.108 4.915 -8.881) 13.638 17.337 ( -2.457 -1.455 -1.321) 3.146 18.184 ( -8.441 -5.107 0.971) 9.914 ======================= Grid point 536 (217/226) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -10.491 -6.586 21.112) 24.478 1.984 ( -1.682 1.031 -0.078) 1.974 2.192 ( -8.260 0.326 -4.812) 9.565 2.389 ( 5.903 -4.636 4.084) 8.545 2.767 ( 7.014 3.237 0.891) 7.776 3.092 ( 0.814 3.031 -11.212) 11.643 3.642 ( -8.842 -3.618 7.400) 12.085 4.004 ( -1.901 -1.969 -4.837) 5.558 4.493 ( 4.163 -3.800 3.745) 6.768 4.740 ( 4.081 7.459 -1.177) 8.583 5.559 ( -7.410 -3.581 -1.494) 8.364 6.547 ( -6.616 -2.539 0.506) 7.104 6.906 ( -10.287 -8.806 -2.101) 13.703 7.468 ( -3.042 -0.514 5.229) 6.072 7.641 ( 2.263 -5.449 -3.224) 6.724 7.988 ( -3.616 18.932 -3.182) 19.535 8.034 ( 12.072 -6.147 2.393) 13.756 8.460 ( 14.059 6.776 1.015) 15.639 14.064 ( 8.375 -2.541 13.798) 16.340 14.092 ( -4.663 5.559 -3.619) 8.108 15.582 ( 2.595 1.628 3.816) 4.894 15.955 ( 10.208 5.665 -8.180) 14.255 17.256 ( -3.680 -2.233 -1.502) 4.559 17.932 ( -13.157 -8.123 -0.632) 15.476 ======================= Grid point 537 (218/226) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -6.965 -2.982 16.763) 18.396 1.863 ( -3.725 -9.185 -8.315) 12.937 1.980 ( -9.970 0.853 -12.685) 16.157 2.509 ( 4.665 0.636 7.346) 8.725 2.846 ( -0.678 0.678 3.201) 3.341 3.178 ( 7.280 6.674 -5.454) 11.282 3.499 ( -6.001 -4.890 3.654) 8.560 3.890 ( -2.307 -2.859 -8.810) 9.545 4.541 ( 1.259 -0.416 1.762) 2.205 4.891 ( 4.954 4.912 2.429) 7.387 5.375 ( -7.063 -4.499 -3.816) 9.203 6.405 ( -9.273 -0.697 3.023) 9.778 6.661 ( -5.728 -8.087 -5.853) 11.509 7.458 ( -0.697 -1.057 3.376) 3.605 7.606 ( 0.646 -3.224 -0.795) 3.383 8.024 ( -4.351 10.744 -5.604) 12.875 8.243 ( 12.436 -3.097 5.950) 14.130 8.754 ( 10.009 7.401 5.051) 13.434 13.941 ( -6.172 -2.708 -12.432) 14.142 14.354 ( 9.946 5.647 18.517) 21.765 15.717 ( 5.317 2.947 8.562) 10.500 16.121 ( 7.601 4.568 -5.074) 10.217 17.163 ( -3.153 -1.929 -2.033) 4.218 17.593 ( -14.315 -8.834 -5.298) 17.636 ======================= Grid point 546 (219/226) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -3.064 -6.566 17.304) 18.760 1.875 ( 4.654 -2.819 11.574) 12.789 2.276 ( 1.510 -6.628 -3.017) 7.437 2.474 ( -8.531 5.878 -4.074) 11.132 2.526 ( 4.599 8.527 3.212) 10.207 3.104 ( 0.780 -3.764 -12.498) 13.076 3.844 ( 1.837 -5.937 10.239) 11.978 3.977 ( -1.175 -3.398 1.645) 3.954 4.479 ( -4.367 0.159 0.593) 4.410 4.622 ( 3.641 7.197 -4.736) 9.354 5.695 ( 0.357 -6.435 0.471) 6.462 6.654 ( 0.003 -3.111 -1.492) 3.450 7.197 ( -0.922 -20.292 2.764) 20.500 7.553 ( -3.809 -1.028 1.379) 4.179 7.598 ( 3.275 -1.126 0.893) 3.576 7.855 ( -6.780 2.093 1.011) 7.167 7.949 ( 13.032 8.934 -2.403) 15.982 8.135 ( -5.072 20.483 -5.034) 21.694 13.903 ( -0.272 -6.930 11.841) 13.723 14.181 ( 0.545 11.044 1.790) 11.202 15.602 ( 0.454 4.163 -1.848) 4.577 15.687 ( -0.532 5.666 -8.205) 9.985 17.329 ( -0.021 -3.230 -0.874) 3.346 18.185 ( -0.135 -10.657 1.025) 10.707 ======================= Grid point 547 (220/226) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -8.431 -6.988 18.628) 21.608 1.946 ( 1.066 -4.947 -6.253) 8.045 2.206 ( -0.066 -10.866 0.109) 10.867 2.392 ( -2.640 6.753 -0.102) 7.251 2.724 ( 5.029 9.482 4.312) 11.567 3.022 ( 1.073 -1.256 -9.797) 9.935 3.778 ( -7.385 -6.830 5.908) 11.666 3.939 ( 1.457 -6.122 -2.908) 6.933 4.469 ( 0.777 1.029 5.918) 6.057 4.733 ( 3.492 8.406 -4.839) 10.309 5.594 ( -3.828 -7.730 -0.624) 8.648 6.589 ( -2.488 -4.011 -0.668) 4.767 6.942 ( -7.297 -15.941 2.108) 17.658 7.551 ( 1.576 -0.783 0.169) 1.768 7.601 ( -6.185 2.249 2.529) 7.050 7.805 ( 6.142 -4.879 -0.925) 7.898 8.209 ( 0.358 16.030 -6.542) 17.317 8.323 ( 10.846 13.999 2.929) 17.950 13.945 ( 4.115 -6.724 9.849) 12.616 14.256 ( -2.820 10.885 -4.072) 11.959 15.637 ( -0.801 7.443 3.391) 8.218 15.796 ( 8.883 6.628 -7.298) 13.270 17.268 ( -2.104 -4.120 -0.570) 4.661 18.000 ( -7.410 -14.137 0.816) 15.983 ======================= Grid point 548 (221/226) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -7.943 -6.890 16.337) 19.428 1.759 ( -5.030 -11.290 -11.042) 16.574 2.046 ( -6.048 -1.855 -9.881) 11.733 2.508 ( 3.911 2.225 9.168) 10.213 2.880 ( 0.311 2.831 4.042) 4.945 3.044 ( 8.182 6.040 -8.920) 13.528 3.591 ( -7.492 -9.167 2.857) 12.179 3.849 ( -3.102 -3.367 -4.660) 6.533 4.558 ( 1.635 2.279 5.694) 6.347 4.850 ( 5.156 5.928 -3.031) 8.421 5.420 ( -6.578 -7.078 -2.003) 9.868 6.494 ( -2.723 -5.201 -0.541) 5.895 6.691 ( -9.172 -8.377 0.706) 12.442 7.499 ( -4.391 -0.809 -2.521) 5.128 7.572 ( -0.205 -0.187 2.530) 2.545 7.920 ( 10.851 -6.289 2.693) 12.827 8.304 ( -2.852 16.495 -4.634) 17.369 8.666 ( 12.499 9.005 4.199) 15.967 13.937 ( -3.244 -2.659 -5.950) 7.279 14.349 ( 6.050 5.139 7.670) 11.038 15.772 ( 2.356 9.242 7.188) 11.943 15.980 ( 9.597 6.638 -6.600) 13.407 17.181 ( -2.932 -3.671 -0.561) 4.732 17.686 ( -12.237 -14.953 -1.072) 19.352 ======================= Grid point 557 (222/226) ======================= q-point: ( 0.45 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 10.703 -6.482 16.741) 20.901 1.908 ( -4.669 -5.579 1.138) 7.364 2.138 ( 2.570 -9.098 -1.431) 9.562 2.506 ( 2.239 6.881 -7.268) 10.256 2.729 ( -7.172 9.952 5.531) 13.456 2.985 ( 0.518 -3.553 -7.810) 8.596 3.743 ( 7.002 -7.646 7.697) 12.912 3.959 ( -1.476 -5.906 -3.236) 6.894 4.586 ( -1.023 2.132 -5.734) 6.202 4.634 ( -3.081 8.102 5.004) 10.008 5.584 ( 3.897 -8.267 0.437) 9.150 6.583 ( 3.459 -4.431 -0.100) 5.622 6.970 ( 6.300 -14.385 -0.860) 15.728 7.513 ( 2.523 -2.405 3.542) 4.969 7.663 ( -9.078 -4.067 -3.142) 10.432 7.813 ( 10.546 7.429 -2.221) 13.090 8.095 ( -10.216 8.081 5.751) 14.239 8.390 ( -6.542 16.860 -4.163) 18.557 13.953 ( -4.258 -6.778 9.560) 12.469 14.240 ( 3.234 10.353 -2.815) 11.206 15.632 ( 0.525 7.143 3.576) 8.006 15.803 ( -8.597 7.033 -7.666) 13.496 17.269 ( 2.064 -4.040 -0.677) 4.587 18.005 ( 7.220 -13.822 0.285) 15.597 ======================= Grid point 558 (223/226) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -3.565 -9.957 -8.301) 13.444 1.819 ( 3.632 -4.831 11.623) 13.101 2.082 ( 1.709 -12.612 6.080) 14.105 2.490 ( -3.074 6.228 -7.461) 10.193 2.826 ( 1.032 13.388 1.487) 13.510 2.941 ( 0.136 -2.536 -0.376) 2.567 3.774 ( 0.129 -10.826 -5.888) 12.324 3.862 ( 0.695 -5.030 9.359) 10.648 4.529 ( -2.356 1.183 1.179) 2.888 4.748 ( 1.583 10.015 -2.829) 10.526 5.535 ( 0.326 -9.960 1.150) 10.031 6.562 ( -0.552 -4.993 -1.042) 5.130 6.858 ( -0.158 -16.681 2.968) 16.943 7.514 ( 0.108 -2.764 0.145) 2.770 7.609 ( 4.237 0.424 0.163) 4.261 7.925 ( -13.976 3.240 2.159) 14.508 8.109 ( 12.110 10.139 -3.492) 16.176 8.489 ( -2.030 18.746 -2.636) 19.039 13.919 ( -0.325 -6.595 12.138) 13.818 14.332 ( 0.536 11.062 -12.094) 16.399 15.701 ( 0.195 6.076 -8.199) 10.207 15.805 ( -0.284 11.727 7.069) 13.695 17.240 ( -0.021 -4.929 0.230) 4.934 17.914 ( -0.077 -17.594 1.384) 17.648 ======================= Grid point 559 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -2.282 -12.066 -14.504) 19.004 1.810 ( -6.708 -6.317 14.401) 17.096 2.019 ( -0.158 -7.055 -1.417) 7.197 2.516 ( 2.479 3.623 2.003) 4.825 2.899 ( 1.386 -2.094 -5.287) 5.853 3.009 ( 0.628 12.387 3.848) 12.986 3.586 ( -3.681 -9.125 -4.070) 10.648 3.873 ( -2.275 -3.942 5.459) 7.107 4.568 ( 3.308 0.693 5.288) 6.276 4.831 ( 1.060 8.155 -6.151) 10.269 5.423 ( -3.114 -8.560 0.923) 9.156 6.450 ( -2.769 -8.974 -2.336) 9.678 6.735 ( -2.333 -8.801 5.265) 10.517 7.494 ( -0.064 -1.161 -3.557) 3.742 7.696 ( -2.359 -3.832 -1.615) 4.780 7.754 ( -1.689 4.095 6.938) 8.232 8.376 ( 8.699 10.984 -6.584) 15.481 8.639 ( 2.796 12.970 0.529) 13.279 13.929 ( -0.328 -4.871 6.352) 8.011 14.352 ( 0.746 8.434 -10.084) 13.167 15.773 ( 6.793 7.011 -7.705) 12.436 15.979 ( 1.031 11.164 7.296) 13.377 17.181 ( -1.652 -4.366 0.895) 4.753 17.690 ( -6.659 -17.892 2.255) 19.223 ======================= Grid point 668 (225/226) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -0.000 -0.000 10.835) 10.835 1.915 ( 0.000 -0.000 10.835) 10.835 2.334 ( 0.000 0.000 -8.363) 8.363 2.334 ( 0.000 0.000 -8.363) 8.363 2.517 ( -0.000 -0.000 14.513) 14.513 3.063 ( 0.000 0.000 -11.737) 11.737 3.997 ( -0.000 -0.000 5.549) 5.549 3.997 ( 0.000 -0.000 5.549) 5.549 4.494 ( -0.000 0.000 -2.990) 2.990 4.494 ( 0.000 0.000 -2.990) 2.990 5.763 ( -0.000 -0.000 0.379) 0.379 6.678 ( 0.000 0.000 -1.068) 1.068 7.557 ( -0.000 -0.000 0.792) 0.792 7.557 ( 0.000 -0.000 0.792) 0.792 7.614 ( -0.000 -0.000 7.674) 7.674 7.763 ( 0.000 0.000 -6.349) 6.349 7.847 ( 0.000 0.000 -2.007) 2.007 7.847 ( 0.000 0.000 -2.007) 2.007 14.062 ( -0.000 -0.000 4.993) 4.993 14.062 ( 0.000 -0.000 4.993) 4.993 15.565 ( 0.000 0.000 -3.743) 3.743 15.565 ( 0.000 0.000 -3.743) 3.743 17.357 ( 0.000 0.000 -0.512) 0.512 18.294 ( -0.000 -0.000 0.357) 0.357 ======================= Grid point 669 (226/226) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 3.34e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -7.082 -4.743 12.757) 15.342 1.959 ( -2.154 -0.561 -7.169) 7.507 2.281 ( -4.012 1.035 0.032) 4.143 2.350 ( 4.610 -0.892 -2.302) 5.229 2.621 ( 5.362 2.897 3.853) 7.210 2.992 ( -1.494 -0.493 -4.714) 4.969 3.921 ( -7.363 -3.329 6.859) 10.599 4.000 ( -2.399 -2.143 -5.241) 6.150 4.495 ( 2.477 -0.775 1.963) 3.254 4.566 ( 5.390 5.138 -2.124) 7.744 5.700 ( -5.405 -3.053 -0.111) 6.209 6.642 ( -2.720 -1.533 -0.189) 3.128 7.224 ( -16.770 -9.759 -0.133) 19.403 7.559 ( -1.663 0.265 1.146) 2.037 7.624 ( 0.494 -4.471 -1.759) 4.829 7.857 ( -2.906 13.184 -0.206) 13.502 7.915 ( 11.363 -5.071 1.917) 12.590 8.095 ( 17.409 10.338 -1.109) 20.277 14.068 ( -2.009 -1.526 -5.108) 5.698 14.116 ( 3.654 2.539 8.285) 9.404 15.569 ( 2.387 1.489 3.679) 4.631 15.643 ( 7.318 4.094 -5.825) 10.210 17.323 ( -2.709 -1.568 -0.247) 3.139 18.194 ( -8.715 -5.061 0.020) 10.078 =================== 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 10.0 179.449 179.449 274.883 0.000 -0.000 0.000 3/31944 20.0 74.874 74.874 109.512 0.000 -0.000 0.000 3/31944 30.0 40.236 40.236 57.639 0.000 -0.000 0.000 3/31944 40.0 25.717 25.717 36.369 0.000 -0.000 0.000 3/31944 50.0 18.393 18.393 25.759 0.000 -0.000 0.000 3/31944 60.0 14.130 14.130 19.641 0.000 -0.000 0.000 3/31944 70.0 11.394 11.394 15.747 0.000 -0.000 0.000 3/31944 80.0 9.515 9.515 13.091 0.000 -0.000 0.000 3/31944 90.0 8.158 8.158 11.183 0.000 -0.000 0.000 3/31944 100.0 7.139 7.139 9.756 0.000 -0.000 0.000 3/31944 110.0 6.349 6.349 8.654 0.000 -0.000 0.000 3/31944 120.0 5.720 5.720 7.780 0.000 -0.000 0.000 3/31944 130.0 5.209 5.209 7.072 0.000 -0.000 0.000 3/31944 140.0 4.786 4.786 6.487 0.000 -0.000 0.000 3/31944 150.0 4.430 4.430 5.996 0.000 -0.000 0.000 3/31944 160.0 4.127 4.127 5.578 0.000 -0.000 0.000 3/31944 170.0 3.864 3.864 5.217 0.000 -0.000 0.000 3/31944 180.0 3.636 3.636 4.903 0.000 -0.000 0.000 3/31944 190.0 3.434 3.434 4.627 0.000 -0.000 0.000 3/31944 200.0 3.255 3.255 4.381 0.000 -0.000 0.000 3/31944 210.0 3.095 3.095 4.162 0.000 -0.000 0.000 3/31944 220.0 2.950 2.950 3.965 0.000 -0.000 0.000 3/31944 230.0 2.820 2.820 3.787 0.000 -0.000 0.000 3/31944 240.0 2.700 2.700 3.624 0.000 -0.000 0.000 3/31944 250.0 2.591 2.591 3.476 0.000 -0.000 0.000 3/31944 260.0 2.491 2.491 3.340 0.000 -0.000 0.000 3/31944 270.0 2.399 2.399 3.214 0.000 -0.000 0.000 3/31944 280.0 2.313 2.313 3.098 0.000 -0.000 0.000 3/31944 290.0 2.234 2.234 2.990 0.000 -0.000 0.000 3/31944 300.0 2.160 2.160 2.890 0.000 -0.000 0.000 3/31944 310.0 2.091 2.091 2.796 0.000 -0.000 0.000 3/31944 320.0 2.026 2.026 2.709 0.000 -0.000 0.000 3/31944 330.0 1.965 1.965 2.626 0.000 -0.000 0.000 3/31944 340.0 1.908 1.908 2.549 0.000 -0.000 0.000 3/31944 350.0 1.854 1.854 2.476 0.000 -0.000 0.000 3/31944 360.0 1.803 1.803 2.408 0.000 -0.000 0.000 3/31944 370.0 1.755 1.755 2.343 0.000 -0.000 0.000 3/31944 380.0 1.709 1.709 2.281 0.000 -0.000 0.000 3/31944 390.0 1.666 1.666 2.223 0.000 -0.000 0.000 3/31944 400.0 1.625 1.625 2.168 0.000 -0.000 0.000 3/31944 410.0 1.586 1.586 2.115 0.000 -0.000 0.000 3/31944 420.0 1.548 1.548 2.065 0.000 -0.000 0.000 3/31944 430.0 1.513 1.513 2.017 0.000 -0.000 0.000 3/31944 440.0 1.479 1.479 1.971 0.000 -0.000 0.000 3/31944 450.0 1.446 1.446 1.928 0.000 -0.000 0.000 3/31944 460.0 1.415 1.415 1.886 0.000 -0.000 0.000 3/31944 470.0 1.386 1.386 1.846 0.000 -0.000 0.000 3/31944 480.0 1.357 1.357 1.808 0.000 -0.000 0.000 3/31944 490.0 1.330 1.330 1.771 0.000 -0.000 0.000 3/31944 500.0 1.303 1.303 1.736 0.000 -0.000 0.000 3/31944 510.0 1.278 1.278 1.702 0.000 -0.000 0.000 3/31944 520.0 1.254 1.254 1.670 0.000 -0.000 0.000 3/31944 530.0 1.230 1.230 1.638 0.000 -0.000 0.000 3/31944 540.0 1.208 1.208 1.608 0.000 -0.000 0.000 3/31944 550.0 1.186 1.186 1.579 0.000 -0.000 0.000 3/31944 560.0 1.165 1.165 1.551 0.000 -0.000 0.000 3/31944 570.0 1.145 1.145 1.524 0.000 -0.000 0.000 3/31944 580.0 1.125 1.125 1.498 0.000 -0.000 0.000 3/31944 590.0 1.107 1.107 1.473 0.000 -0.000 0.000 3/31944 600.0 1.088 1.088 1.448 0.000 -0.000 0.000 3/31944 610.0 1.071 1.071 1.425 0.000 -0.000 0.000 3/31944 620.0 1.054 1.054 1.402 0.000 -0.000 0.000 3/31944 630.0 1.037 1.037 1.380 0.000 -0.000 0.000 3/31944 640.0 1.021 1.021 1.358 0.000 -0.000 0.000 3/31944 650.0 1.005 1.005 1.337 0.000 -0.000 0.000 3/31944 660.0 0.990 0.990 1.317 0.000 -0.000 0.000 3/31944 670.0 0.976 0.976 1.298 0.000 -0.000 0.000 3/31944 680.0 0.961 0.961 1.279 0.000 -0.000 0.000 3/31944 690.0 0.948 0.948 1.260 0.000 -0.000 0.000 3/31944 700.0 0.934 0.934 1.242 0.000 -0.000 0.000 3/31944 710.0 0.921 0.921 1.225 0.000 -0.000 0.000 3/31944 720.0 0.908 0.908 1.208 0.000 -0.000 0.000 3/31944 730.0 0.896 0.896 1.191 0.000 -0.000 0.000 3/31944 740.0 0.884 0.884 1.175 0.000 -0.000 0.000 3/31944 750.0 0.872 0.872 1.160 0.000 -0.000 0.000 3/31944 760.0 0.861 0.861 1.145 0.000 -0.000 0.000 3/31944 770.0 0.850 0.850 1.130 0.000 -0.000 0.000 3/31944 780.0 0.839 0.839 1.115 0.000 -0.000 0.000 3/31944 790.0 0.828 0.828 1.101 0.000 -0.000 0.000 3/31944 800.0 0.818 0.818 1.088 0.000 -0.000 0.000 3/31944 810.0 0.808 0.808 1.074 0.000 -0.000 0.000 3/31944 820.0 0.798 0.798 1.061 0.000 -0.000 0.000 3/31944 830.0 0.789 0.789 1.048 0.000 -0.000 0.000 3/31944 840.0 0.779 0.779 1.036 0.000 -0.000 0.000 3/31944 850.0 0.770 0.770 1.024 0.000 -0.000 0.000 3/31944 860.0 0.761 0.761 1.012 0.000 -0.000 0.000 3/31944 870.0 0.753 0.753 1.000 0.000 -0.000 0.000 3/31944 880.0 0.744 0.744 0.989 0.000 -0.000 0.000 3/31944 890.0 0.736 0.736 0.978 0.000 -0.000 0.000 3/31944 900.0 0.728 0.728 0.967 0.000 -0.000 0.000 3/31944 910.0 0.720 0.720 0.957 0.000 -0.000 0.000 3/31944 920.0 0.712 0.712 0.946 0.000 -0.000 0.000 3/31944 930.0 0.704 0.704 0.936 0.000 -0.000 0.000 3/31944 940.0 0.697 0.697 0.926 0.000 -0.000 0.000 3/31944 950.0 0.690 0.690 0.916 0.000 -0.000 0.000 3/31944 960.0 0.683 0.683 0.907 0.000 -0.000 0.000 3/31944 970.0 0.676 0.676 0.898 0.000 -0.000 0.000 3/31944 980.0 0.669 0.669 0.889 0.000 -0.000 0.000 3/31944 990.0 0.662 0.662 0.880 0.000 -0.000 0.000 3/31944 1000.0 0.655 0.655 0.871 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 00:21:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|