----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:13:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.445679540749509 1.412013741203286 4.217683953333329 b -2.445679540749504 1.412013741203286 4.217683953333329 c 0.000000000000003 -2.824027482406577 4.217683953333329 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 F 0.31771974133566 0.78163100344877 0.12303432733722 18.998 3 F 0.12303432733722 0.31771974133566 0.78163100344877 18.998 4 F 0.78163100344877 0.12303432733722 0.31771974133566 18.998 5 F 0.87696567266278 0.68228025866434 0.21836899655123 18.998 6 F 0.21836899655123 0.87696567266278 0.68228025866434 18.998 7 F 0.68228025866434 0.21836899655123 0.87696567266278 18.998 *8 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.891359081499013 0.000000000000000 0.000000000000000 b -2.445679540749507 4.236041223609864 0.000000000000000 c 0.000000000000000 0.000000000000000 12.653051860000000 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 *4 F 0.24359138396178 0.95109403003666 0.07412835737389 18.998 > 2 5 F 0.04890596996334 0.29249735392511 0.07412835737389 18.998 > 3 6 F 0.70750264607489 0.75640861603822 0.07412835737389 18.998 > 4 7 F 0.61776069670333 0.04083597940822 0.25920497595945 18.998 > 5 8 F 0.95916402059178 0.57692471729511 0.25920497595945 18.998 > 6 9 F 0.42307528270489 0.38223930329667 0.25920497595945 18.998 > 7 10 F 0.91025805062844 0.28442736337000 0.40746169070722 18.998 > 2 11 F 0.71557263663000 0.62583068725845 0.40746169070722 18.998 > 3 12 F 0.37416931274155 0.08974194937156 0.40746169070722 18.998 > 4 13 F 0.28442736337000 0.37416931274155 0.59253830929278 18.998 > 5 14 F 0.62583068725845 0.91025805062844 0.59253830929278 18.998 > 6 15 F 0.08974194937156 0.71557263663000 0.59253830929278 18.998 > 7 16 F 0.57692471729511 0.61776069670333 0.74079502404055 18.998 > 2 17 F 0.38223930329667 0.95916402059178 0.74079502404055 18.998 > 3 18 F 0.04083597940822 0.42307528270489 0.74079502404055 18.998 > 4 19 F 0.95109403003666 0.70750264607489 0.92587164262611 18.998 > 5 20 F 0.29249735392511 0.24359138396178 0.92587164262611 18.998 > 6 21 F 0.75640861603822 0.04890596996334 0.92587164262611 18.998 > 7 *22 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 > 8 23 P 0.66666666666667 0.33333333333333 0.33333333333333 30.974 > 8 24 P 0.33333333333333 0.66666666666667 0.66666666666667 30.974 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.782718162998027 0.000000000000000 0.000000000000000 b -4.891359081499014 8.472082447219728 0.000000000000000 c 0.000000000000000 0.000000000000000 12.653051860000000 Atomic positions (fractional): *1 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 *13 F 0.12179569198089 0.47554701501833 0.07412835737389 18.998 > 2 14 F 0.62179569198089 0.47554701501833 0.07412835737389 18.998 > 2 15 F 0.12179569198089 0.97554701501833 0.07412835737389 18.998 > 2 16 F 0.62179569198089 0.97554701501833 0.07412835737389 18.998 > 2 17 F 0.02445298498167 0.14624867696256 0.07412835737389 18.998 > 3 18 F 0.52445298498167 0.14624867696256 0.07412835737389 18.998 > 3 19 F 0.02445298498167 0.64624867696256 0.07412835737389 18.998 > 3 20 F 0.52445298498167 0.64624867696256 0.07412835737389 18.998 > 3 21 F 0.35375132303744 0.37820430801911 0.07412835737389 18.998 > 4 22 F 0.85375132303744 0.37820430801911 0.07412835737389 18.998 > 4 23 F 0.35375132303744 0.87820430801911 0.07412835737389 18.998 > 4 24 F 0.85375132303744 0.87820430801911 0.07412835737389 18.998 > 4 25 F 0.30888034835166 0.02041798970411 0.25920497595945 18.998 > 5 26 F 0.80888034835166 0.02041798970411 0.25920497595945 18.998 > 5 27 F 0.30888034835166 0.52041798970411 0.25920497595945 18.998 > 5 28 F 0.80888034835166 0.52041798970411 0.25920497595945 18.998 > 5 29 F 0.47958201029589 0.28846235864755 0.25920497595945 18.998 > 6 30 F 0.97958201029589 0.28846235864755 0.25920497595945 18.998 > 6 31 F 0.47958201029589 0.78846235864755 0.25920497595945 18.998 > 6 32 F 0.97958201029589 0.78846235864755 0.25920497595945 18.998 > 6 33 F 0.21153764135244 0.19111965164834 0.25920497595945 18.998 > 7 34 F 0.71153764135245 0.19111965164834 0.25920497595945 18.998 > 7 35 F 0.21153764135244 0.69111965164834 0.25920497595945 18.998 > 7 36 F 0.71153764135245 0.69111965164834 0.25920497595945 18.998 > 7 37 F 0.45512902531422 0.14221368168500 0.40746169070722 18.998 > 2 38 F 0.95512902531422 0.14221368168500 0.40746169070722 18.998 > 2 39 F 0.45512902531422 0.64221368168500 0.40746169070722 18.998 > 2 40 F 0.95512902531422 0.64221368168500 0.40746169070722 18.998 > 2 41 F 0.35778631831500 0.31291534362922 0.40746169070722 18.998 > 3 42 F 0.85778631831500 0.31291534362922 0.40746169070722 18.998 > 3 43 F 0.35778631831500 0.81291534362922 0.40746169070722 18.998 > 3 44 F 0.85778631831500 0.81291534362922 0.40746169070722 18.998 > 3 45 F 0.18708465637078 0.04487097468578 0.40746169070722 18.998 > 4 46 F 0.68708465637078 0.04487097468578 0.40746169070722 18.998 > 4 47 F 0.18708465637078 0.54487097468578 0.40746169070722 18.998 > 4 48 F 0.68708465637078 0.54487097468578 0.40746169070722 18.998 > 4 49 F 0.14221368168500 0.18708465637078 0.59253830929278 18.998 > 5 50 F 0.64221368168500 0.18708465637078 0.59253830929278 18.998 > 5 51 F 0.14221368168500 0.68708465637078 0.59253830929278 18.998 > 5 52 F 0.64221368168500 0.68708465637078 0.59253830929278 18.998 > 5 53 F 0.31291534362922 0.45512902531422 0.59253830929278 18.998 > 6 54 F 0.81291534362922 0.45512902531422 0.59253830929278 18.998 > 6 55 F 0.31291534362922 0.95512902531422 0.59253830929278 18.998 > 6 56 F 0.81291534362922 0.95512902531422 0.59253830929278 18.998 > 6 57 F 0.04487097468578 0.35778631831500 0.59253830929278 18.998 > 7 58 F 0.54487097468578 0.35778631831500 0.59253830929278 18.998 > 7 59 F 0.04487097468578 0.85778631831500 0.59253830929278 18.998 > 7 60 F 0.54487097468578 0.85778631831500 0.59253830929278 18.998 > 7 61 F 0.28846235864755 0.30888034835166 0.74079502404055 18.998 > 2 62 F 0.78846235864755 0.30888034835166 0.74079502404055 18.998 > 2 63 F 0.28846235864755 0.80888034835166 0.74079502404055 18.998 > 2 64 F 0.78846235864755 0.80888034835166 0.74079502404055 18.998 > 2 65 F 0.19111965164834 0.47958201029589 0.74079502404055 18.998 > 3 66 F 0.69111965164834 0.47958201029589 0.74079502404055 18.998 > 3 67 F 0.19111965164834 0.97958201029589 0.74079502404055 18.998 > 3 68 F 0.69111965164834 0.97958201029589 0.74079502404055 18.998 > 3 69 F 0.02041798970411 0.21153764135244 0.74079502404055 18.998 > 4 70 F 0.52041798970411 0.21153764135244 0.74079502404055 18.998 > 4 71 F 0.02041798970411 0.71153764135245 0.74079502404055 18.998 > 4 72 F 0.52041798970411 0.71153764135245 0.74079502404055 18.998 > 4 73 F 0.47554701501833 0.35375132303744 0.92587164262611 18.998 > 5 74 F 0.97554701501833 0.35375132303744 0.92587164262611 18.998 > 5 75 F 0.47554701501833 0.85375132303744 0.92587164262611 18.998 > 5 76 F 0.97554701501833 0.85375132303744 0.92587164262611 18.998 > 5 77 F 0.14624867696256 0.12179569198089 0.92587164262611 18.998 > 6 78 F 0.64624867696256 0.12179569198089 0.92587164262611 18.998 > 6 79 F 0.14624867696256 0.62179569198089 0.92587164262611 18.998 > 6 80 F 0.64624867696256 0.62179569198089 0.92587164262611 18.998 > 6 81 F 0.37820430801911 0.02445298498167 0.92587164262611 18.998 > 7 82 F 0.87820430801911 0.02445298498167 0.92587164262611 18.998 > 7 83 F 0.37820430801911 0.52445298498167 0.92587164262611 18.998 > 7 84 F 0.87820430801911 0.52445298498167 0.92587164262611 18.998 > 7 *85 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 > 8 86 P 0.50000000000000 0.00000000000000 0.00000000000000 30.974 > 8 87 P 0.00000000000000 0.50000000000000 0.00000000000000 30.974 > 8 88 P 0.50000000000000 0.50000000000000 0.00000000000000 30.974 > 8 89 P 0.33333333333333 0.16666666666667 0.33333333333333 30.974 > 8 90 P 0.83333333333333 0.16666666666667 0.33333333333333 30.974 > 8 91 P 0.33333333333333 0.66666666666667 0.33333333333333 30.974 > 8 92 P 0.83333333333333 0.66666666666667 0.33333333333333 30.974 > 8 93 P 0.16666666666667 0.33333333333333 0.66666666666667 30.974 > 8 94 P 0.66666666666667 0.33333333333333 0.66666666666667 30.974 > 8 95 P 0.16666666666667 0.83333333333333 0.66666666666667 30.974 > 8 96 P 0.66666666666667 0.83333333333333 0.66666666666667 30.974 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9297213 0.0000004 0.0000000 -0.0000004 1.9297213 0.0000000 0.0000000 0.0000000 1.9317054 -------------------------- Born effective charges -------------------------- 1 Li 1.1810767 -0.0839291 -0.0000000 0.0839291 1.1810767 0.0000000 0.0000000 -0.0000000 1.2225725 2 F -1.0449283 0.1282298 -0.3554981 0.1325163 -0.6393273 0.1095568 -0.3533987 0.1082150 -0.8449134 3 F -0.6278212 0.1083006 0.0828701 0.1125871 -1.0564345 -0.3626488 0.0829823 -0.3601597 -0.8449134 4 F -0.8536340 -0.2429602 0.2726280 -0.2386737 -0.8306217 0.2530920 0.2704163 0.2519447 -0.8449134 5 F -0.6278212 0.1083006 0.0828701 0.1125871 -1.0564345 -0.3626488 0.0829823 -0.3601597 -0.8449134 6 F -0.8536340 -0.2429602 0.2726280 -0.2386737 -0.8306217 0.2530920 0.2704163 0.2519447 -0.8449134 7 F -1.0449283 0.1282298 -0.3554981 0.1325163 -0.6393273 0.1095568 -0.3533987 0.1082150 -0.8449134 8 P 3.8716903 0.0967885 -0.0000000 -0.0967886 3.8716903 0.0000000 0.0000000 -0.0000000 3.8469080 ---------------------------------------------------------------------------- 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: 300 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): 0.009 Solver_block: 100 / 160 - Time: 0.472 Solver_block: 160 / 160 - Time: 0.323 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.812 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 300 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:13:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:13:26]------------------------- 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 2.445679540749509 1.412013741203286 4.217683953333329 b -2.445679540749504 1.412013741203286 4.217683953333329 c 0.000000000000003 -2.824027482406577 4.217683953333329 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 F 0.31771974133566 0.78163100344877 0.12303432733722 18.998 3 F 0.12303432733722 0.31771974133566 0.78163100344877 18.998 4 F 0.78163100344877 0.12303432733722 0.31771974133566 18.998 5 F 0.87696567266278 0.68228025866434 0.21836899655123 18.998 6 F 0.21836899655123 0.87696567266278 0.68228025866434 18.998 7 F 0.68228025866434 0.21836899655123 0.87696567266278 18.998 8 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.782718162998027 0.000000000000000 0.000000000000000 b -4.891359081499014 8.472082447219728 0.000000000000000 c 0.000000000000000 0.000000000000000 12.653051860000000 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 13 F 0.12179569198089 0.47554701501833 0.07412835737389 18.998 > 13 14 F 0.62179569198089 0.47554701501833 0.07412835737389 18.998 > 13 15 F 0.12179569198089 0.97554701501833 0.07412835737389 18.998 > 13 16 F 0.62179569198089 0.97554701501833 0.07412835737389 18.998 > 13 17 F 0.02445298498167 0.14624867696256 0.07412835737389 18.998 > 17 18 F 0.52445298498167 0.14624867696256 0.07412835737389 18.998 > 17 19 F 0.02445298498167 0.64624867696256 0.07412835737389 18.998 > 17 20 F 0.52445298498167 0.64624867696256 0.07412835737389 18.998 > 17 21 F 0.35375132303744 0.37820430801911 0.07412835737389 18.998 > 21 22 F 0.85375132303744 0.37820430801911 0.07412835737389 18.998 > 21 23 F 0.35375132303744 0.87820430801911 0.07412835737389 18.998 > 21 24 F 0.85375132303744 0.87820430801911 0.07412835737389 18.998 > 21 25 F 0.30888034835166 0.02041798970411 0.25920497595945 18.998 > 25 26 F 0.80888034835166 0.02041798970411 0.25920497595945 18.998 > 25 27 F 0.30888034835166 0.52041798970411 0.25920497595945 18.998 > 25 28 F 0.80888034835166 0.52041798970411 0.25920497595945 18.998 > 25 29 F 0.47958201029589 0.28846235864755 0.25920497595945 18.998 > 29 30 F 0.97958201029589 0.28846235864755 0.25920497595945 18.998 > 29 31 F 0.47958201029589 0.78846235864755 0.25920497595945 18.998 > 29 32 F 0.97958201029589 0.78846235864755 0.25920497595945 18.998 > 29 33 F 0.21153764135244 0.19111965164834 0.25920497595945 18.998 > 33 34 F 0.71153764135245 0.19111965164834 0.25920497595945 18.998 > 33 35 F 0.21153764135244 0.69111965164834 0.25920497595945 18.998 > 33 36 F 0.71153764135245 0.69111965164834 0.25920497595945 18.998 > 33 37 F 0.45512902531422 0.14221368168500 0.40746169070722 18.998 > 13 38 F 0.95512902531422 0.14221368168500 0.40746169070722 18.998 > 13 39 F 0.45512902531422 0.64221368168500 0.40746169070722 18.998 > 13 40 F 0.95512902531422 0.64221368168500 0.40746169070722 18.998 > 13 41 F 0.35778631831500 0.31291534362922 0.40746169070722 18.998 > 17 42 F 0.85778631831500 0.31291534362922 0.40746169070722 18.998 > 17 43 F 0.35778631831500 0.81291534362922 0.40746169070722 18.998 > 17 44 F 0.85778631831500 0.81291534362922 0.40746169070722 18.998 > 17 45 F 0.18708465637078 0.04487097468578 0.40746169070722 18.998 > 21 46 F 0.68708465637078 0.04487097468578 0.40746169070722 18.998 > 21 47 F 0.18708465637078 0.54487097468578 0.40746169070722 18.998 > 21 48 F 0.68708465637078 0.54487097468578 0.40746169070722 18.998 > 21 49 F 0.14221368168500 0.18708465637078 0.59253830929278 18.998 > 25 50 F 0.64221368168500 0.18708465637078 0.59253830929278 18.998 > 25 51 F 0.14221368168500 0.68708465637078 0.59253830929278 18.998 > 25 52 F 0.64221368168500 0.68708465637078 0.59253830929278 18.998 > 25 53 F 0.31291534362922 0.45512902531422 0.59253830929278 18.998 > 29 54 F 0.81291534362922 0.45512902531422 0.59253830929278 18.998 > 29 55 F 0.31291534362922 0.95512902531422 0.59253830929278 18.998 > 29 56 F 0.81291534362922 0.95512902531422 0.59253830929278 18.998 > 29 57 F 0.04487097468578 0.35778631831500 0.59253830929278 18.998 > 33 58 F 0.54487097468578 0.35778631831500 0.59253830929278 18.998 > 33 59 F 0.04487097468578 0.85778631831500 0.59253830929278 18.998 > 33 60 F 0.54487097468578 0.85778631831500 0.59253830929278 18.998 > 33 61 F 0.28846235864755 0.30888034835166 0.74079502404055 18.998 > 13 62 F 0.78846235864755 0.30888034835166 0.74079502404055 18.998 > 13 63 F 0.28846235864755 0.80888034835166 0.74079502404055 18.998 > 13 64 F 0.78846235864755 0.80888034835166 0.74079502404055 18.998 > 13 65 F 0.19111965164834 0.47958201029589 0.74079502404055 18.998 > 17 66 F 0.69111965164834 0.47958201029589 0.74079502404055 18.998 > 17 67 F 0.19111965164834 0.97958201029589 0.74079502404055 18.998 > 17 68 F 0.69111965164834 0.97958201029589 0.74079502404055 18.998 > 17 69 F 0.02041798970411 0.21153764135244 0.74079502404055 18.998 > 21 70 F 0.52041798970411 0.21153764135244 0.74079502404055 18.998 > 21 71 F 0.02041798970411 0.71153764135245 0.74079502404055 18.998 > 21 72 F 0.52041798970411 0.71153764135245 0.74079502404055 18.998 > 21 73 F 0.47554701501833 0.35375132303744 0.92587164262611 18.998 > 25 74 F 0.97554701501833 0.35375132303744 0.92587164262611 18.998 > 25 75 F 0.47554701501833 0.85375132303744 0.92587164262611 18.998 > 25 76 F 0.97554701501833 0.85375132303744 0.92587164262611 18.998 > 25 77 F 0.14624867696256 0.12179569198089 0.92587164262611 18.998 > 29 78 F 0.64624867696256 0.12179569198089 0.92587164262611 18.998 > 29 79 F 0.14624867696256 0.62179569198089 0.92587164262611 18.998 > 29 80 F 0.64624867696256 0.62179569198089 0.92587164262611 18.998 > 29 81 F 0.37820430801911 0.02445298498167 0.92587164262611 18.998 > 33 82 F 0.87820430801911 0.02445298498167 0.92587164262611 18.998 > 33 83 F 0.37820430801911 0.52445298498167 0.92587164262611 18.998 > 33 84 F 0.87820430801911 0.52445298498167 0.92587164262611 18.998 > 33 85 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 > 85 86 P 0.50000000000000 0.00000000000000 0.00000000000000 30.974 > 85 87 P 0.00000000000000 0.50000000000000 0.00000000000000 30.974 > 85 88 P 0.50000000000000 0.50000000000000 0.00000000000000 30.974 > 85 89 P 0.33333333333333 0.16666666666667 0.33333333333333 30.974 > 85 90 P 0.83333333333333 0.16666666666667 0.33333333333333 30.974 > 85 91 P 0.33333333333333 0.66666666666667 0.33333333333333 30.974 > 85 92 P 0.83333333333333 0.66666666666667 0.33333333333333 30.974 > 85 93 P 0.16666666666667 0.33333333333333 0.66666666666667 30.974 > 85 94 P 0.66666666666667 0.33333333333333 0.66666666666667 30.974 > 85 95 P 0.16666666666667 0.83333333333333 0.66666666666667 30.974 > 85 96 P 0.66666666666667 0.83333333333333 0.66666666666667 30.974 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9297213 0.0000004 0.0000000 -0.0000004 1.9297213 0.0000000 0.0000000 0.0000000 1.9317054 -------------------------- Born effective charges -------------------------- 1 Li 1.1810767 -0.0839291 -0.0000000 0.0839291 1.1810767 0.0000000 0.0000000 -0.0000000 1.2225725 2 F -1.0449283 0.1282298 -0.3554981 0.1325163 -0.6393273 0.1095568 -0.3533987 0.1082150 -0.8449134 3 F -0.6278212 0.1083006 0.0828701 0.1125871 -1.0564345 -0.3626488 0.0829823 -0.3601597 -0.8449134 4 F -0.8536340 -0.2429602 0.2726280 -0.2386737 -0.8306217 0.2530920 0.2704163 0.2519447 -0.8449134 5 F -0.6278212 0.1083006 0.0828701 0.1125871 -1.0564345 -0.3626488 0.0829823 -0.3601597 -0.8449134 6 F -0.8536340 -0.2429602 0.2726280 -0.2386737 -0.8306217 0.2530920 0.2704163 0.2519447 -0.8449134 7 F -1.0449283 0.1282298 -0.3554981 0.1325163 -0.6393273 0.1095568 -0.3533987 0.1082150 -0.8449134 8 P 3.8716903 0.0967885 -0.0000000 -0.0967886 3.8716903 0.0000000 0.0000000 -0.0000000 3.8469080 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000026 (xy) -0.00000026 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:13:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:13:33]------------------------- 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 2.445679540749509 1.412013741203286 4.217683953333329 b -2.445679540749504 1.412013741203286 4.217683953333329 c 0.000000000000003 -2.824027482406577 4.217683953333329 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 F 0.31771974133566 0.78163100344877 0.12303432733722 18.998 3 F 0.12303432733722 0.31771974133566 0.78163100344877 18.998 4 F 0.78163100344877 0.12303432733722 0.31771974133566 18.998 5 F 0.87696567266278 0.68228025866434 0.21836899655123 18.998 6 F 0.21836899655123 0.87696567266278 0.68228025866434 18.998 7 F 0.68228025866434 0.21836899655123 0.87696567266278 18.998 8 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.782718162998027 0.000000000000000 0.000000000000000 b -4.891359081499014 8.472082447219728 0.000000000000000 c 0.000000000000000 0.000000000000000 12.653051860000000 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 13 F 0.12179569198089 0.47554701501833 0.07412835737389 18.998 > 13 14 F 0.62179569198089 0.47554701501833 0.07412835737389 18.998 > 13 15 F 0.12179569198089 0.97554701501833 0.07412835737389 18.998 > 13 16 F 0.62179569198089 0.97554701501833 0.07412835737389 18.998 > 13 17 F 0.02445298498167 0.14624867696256 0.07412835737389 18.998 > 17 18 F 0.52445298498167 0.14624867696256 0.07412835737389 18.998 > 17 19 F 0.02445298498167 0.64624867696256 0.07412835737389 18.998 > 17 20 F 0.52445298498167 0.64624867696256 0.07412835737389 18.998 > 17 21 F 0.35375132303744 0.37820430801911 0.07412835737389 18.998 > 21 22 F 0.85375132303744 0.37820430801911 0.07412835737389 18.998 > 21 23 F 0.35375132303744 0.87820430801911 0.07412835737389 18.998 > 21 24 F 0.85375132303744 0.87820430801911 0.07412835737389 18.998 > 21 25 F 0.30888034835166 0.02041798970411 0.25920497595945 18.998 > 25 26 F 0.80888034835166 0.02041798970411 0.25920497595945 18.998 > 25 27 F 0.30888034835166 0.52041798970411 0.25920497595945 18.998 > 25 28 F 0.80888034835166 0.52041798970411 0.25920497595945 18.998 > 25 29 F 0.47958201029589 0.28846235864755 0.25920497595945 18.998 > 29 30 F 0.97958201029589 0.28846235864755 0.25920497595945 18.998 > 29 31 F 0.47958201029589 0.78846235864755 0.25920497595945 18.998 > 29 32 F 0.97958201029589 0.78846235864755 0.25920497595945 18.998 > 29 33 F 0.21153764135244 0.19111965164834 0.25920497595945 18.998 > 33 34 F 0.71153764135245 0.19111965164834 0.25920497595945 18.998 > 33 35 F 0.21153764135244 0.69111965164834 0.25920497595945 18.998 > 33 36 F 0.71153764135245 0.69111965164834 0.25920497595945 18.998 > 33 37 F 0.45512902531422 0.14221368168500 0.40746169070722 18.998 > 13 38 F 0.95512902531422 0.14221368168500 0.40746169070722 18.998 > 13 39 F 0.45512902531422 0.64221368168500 0.40746169070722 18.998 > 13 40 F 0.95512902531422 0.64221368168500 0.40746169070722 18.998 > 13 41 F 0.35778631831500 0.31291534362922 0.40746169070722 18.998 > 17 42 F 0.85778631831500 0.31291534362922 0.40746169070722 18.998 > 17 43 F 0.35778631831500 0.81291534362922 0.40746169070722 18.998 > 17 44 F 0.85778631831500 0.81291534362922 0.40746169070722 18.998 > 17 45 F 0.18708465637078 0.04487097468578 0.40746169070722 18.998 > 21 46 F 0.68708465637078 0.04487097468578 0.40746169070722 18.998 > 21 47 F 0.18708465637078 0.54487097468578 0.40746169070722 18.998 > 21 48 F 0.68708465637078 0.54487097468578 0.40746169070722 18.998 > 21 49 F 0.14221368168500 0.18708465637078 0.59253830929278 18.998 > 25 50 F 0.64221368168500 0.18708465637078 0.59253830929278 18.998 > 25 51 F 0.14221368168500 0.68708465637078 0.59253830929278 18.998 > 25 52 F 0.64221368168500 0.68708465637078 0.59253830929278 18.998 > 25 53 F 0.31291534362922 0.45512902531422 0.59253830929278 18.998 > 29 54 F 0.81291534362922 0.45512902531422 0.59253830929278 18.998 > 29 55 F 0.31291534362922 0.95512902531422 0.59253830929278 18.998 > 29 56 F 0.81291534362922 0.95512902531422 0.59253830929278 18.998 > 29 57 F 0.04487097468578 0.35778631831500 0.59253830929278 18.998 > 33 58 F 0.54487097468578 0.35778631831500 0.59253830929278 18.998 > 33 59 F 0.04487097468578 0.85778631831500 0.59253830929278 18.998 > 33 60 F 0.54487097468578 0.85778631831500 0.59253830929278 18.998 > 33 61 F 0.28846235864755 0.30888034835166 0.74079502404055 18.998 > 13 62 F 0.78846235864755 0.30888034835166 0.74079502404055 18.998 > 13 63 F 0.28846235864755 0.80888034835166 0.74079502404055 18.998 > 13 64 F 0.78846235864755 0.80888034835166 0.74079502404055 18.998 > 13 65 F 0.19111965164834 0.47958201029589 0.74079502404055 18.998 > 17 66 F 0.69111965164834 0.47958201029589 0.74079502404055 18.998 > 17 67 F 0.19111965164834 0.97958201029589 0.74079502404055 18.998 > 17 68 F 0.69111965164834 0.97958201029589 0.74079502404055 18.998 > 17 69 F 0.02041798970411 0.21153764135244 0.74079502404055 18.998 > 21 70 F 0.52041798970411 0.21153764135244 0.74079502404055 18.998 > 21 71 F 0.02041798970411 0.71153764135245 0.74079502404055 18.998 > 21 72 F 0.52041798970411 0.71153764135245 0.74079502404055 18.998 > 21 73 F 0.47554701501833 0.35375132303744 0.92587164262611 18.998 > 25 74 F 0.97554701501833 0.35375132303744 0.92587164262611 18.998 > 25 75 F 0.47554701501833 0.85375132303744 0.92587164262611 18.998 > 25 76 F 0.97554701501833 0.85375132303744 0.92587164262611 18.998 > 25 77 F 0.14624867696256 0.12179569198089 0.92587164262611 18.998 > 29 78 F 0.64624867696256 0.12179569198089 0.92587164262611 18.998 > 29 79 F 0.14624867696256 0.62179569198089 0.92587164262611 18.998 > 29 80 F 0.64624867696256 0.62179569198089 0.92587164262611 18.998 > 29 81 F 0.37820430801911 0.02445298498167 0.92587164262611 18.998 > 33 82 F 0.87820430801911 0.02445298498167 0.92587164262611 18.998 > 33 83 F 0.37820430801911 0.52445298498167 0.92587164262611 18.998 > 33 84 F 0.87820430801911 0.52445298498167 0.92587164262611 18.998 > 33 85 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 > 85 86 P 0.50000000000000 0.00000000000000 0.00000000000000 30.974 > 85 87 P 0.00000000000000 0.50000000000000 0.00000000000000 30.974 > 85 88 P 0.50000000000000 0.50000000000000 0.00000000000000 30.974 > 85 89 P 0.33333333333333 0.16666666666667 0.33333333333333 30.974 > 85 90 P 0.83333333333333 0.16666666666667 0.33333333333333 30.974 > 85 91 P 0.33333333333333 0.66666666666667 0.33333333333333 30.974 > 85 92 P 0.83333333333333 0.66666666666667 0.33333333333333 30.974 > 85 93 P 0.16666666666667 0.33333333333333 0.66666666666667 30.974 > 85 94 P 0.66666666666667 0.33333333333333 0.66666666666667 30.974 > 85 95 P 0.16666666666667 0.83333333333333 0.66666666666667 30.974 > 85 96 P 0.66666666666667 0.83333333333333 0.66666666666667 30.974 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.9297213 0.0000004 0.0000000 -0.0000004 1.9297213 0.0000000 0.0000000 0.0000000 1.9317054 -------------------------- Born effective charges -------------------------- 1 Li 1.1810767 -0.0839291 -0.0000000 0.0839291 1.1810767 0.0000000 0.0000000 -0.0000000 1.2225725 2 F -1.0449283 0.1282298 -0.3554981 0.1325163 -0.6393273 0.1095568 -0.3533987 0.1082150 -0.8449134 3 F -0.6278212 0.1083006 0.0828701 0.1125871 -1.0564345 -0.3626488 0.0829823 -0.3601597 -0.8449134 4 F -0.8536340 -0.2429602 0.2726280 -0.2386737 -0.8306217 0.2530920 0.2704163 0.2519447 -0.8449134 5 F -0.6278212 0.1083006 0.0828701 0.1125871 -1.0564345 -0.3626488 0.0829823 -0.3601597 -0.8449134 6 F -0.8536340 -0.2429602 0.2726280 -0.2386737 -0.8306217 0.2530920 0.2704163 0.2519447 -0.8449134 7 F -1.0449283 0.1282298 -0.3554981 0.1325163 -0.6393273 0.1095568 -0.3533987 0.1082150 -0.8449134 8 P 3.8716903 0.0967885 -0.0000000 -0.0967886 3.8716903 0.0000000 0.0000000 -0.0000000 3.8469080 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.94, Number of G-points: 295, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 7.647 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 8.785 ( 0.000 0.000 0.000) 0.000 8.785 ( 0.000 0.000 0.000) 0.000 9.222 ( 0.000 0.000 0.000) 0.000 13.337 ( 0.000 0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 15.846 ( 0.000 0.000 0.000) 0.000 15.986 ( 0.000 0.000 0.000) 0.000 15.986 ( 0.000 0.000 0.000) 0.000 16.324 ( 0.000 0.000 0.000) 0.000 16.324 ( 0.000 0.000 0.000) 0.000 21.714 ( 0.000 0.000 0.000) 0.000 23.693 ( 0.000 0.000 0.000) 0.000 23.693 ( 0.000 0.000 0.000) 0.000 23.969 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 24.748 11.534 -1.315) 27.335 0.557 ( 24.624 6.674 10.948) 27.763 0.795 ( 24.190 20.567 24.384) 40.034 2.643 ( -0.734 0.145 -0.043) 0.750 2.669 ( 1.598 0.482 0.756) 1.833 3.410 ( 1.210 0.779 -0.436) 1.504 7.699 ( 0.257 0.054 8.019) 8.023 7.876 ( 1.832 0.978 0.354) 2.107 8.667 ( 0.500 0.541 2.646) 2.746 8.784 ( 0.016 -0.132 -0.056) 0.144 9.186 ( 0.443 0.453 -5.730) 5.765 11.029 ( -6.090 -3.259 11.233) 13.187 13.320 ( -1.124 -0.585 -1.229) 1.765 13.395 ( -1.266 0.201 0.421) 1.349 13.416 ( 0.539 1.520 -0.378) 1.657 15.832 ( -1.807 -1.701 1.992) 3.183 15.976 ( -0.226 -1.540 0.012) 1.557 16.268 ( 0.899 0.312 -6.344) 6.415 16.350 ( 2.758 1.263 -1.630) 3.443 16.366 ( 2.993 0.774 3.226) 4.468 21.715 ( 0.096 0.067 -0.078) 0.141 23.691 ( 1.238 -0.545 -3.163) 3.440 23.918 ( -0.677 0.169 -4.860) 4.910 27.264 ( -3.453 -0.545 4.249) 5.502 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 23.236 9.488 2.404) 25.214 1.112 ( 23.467 9.773 8.233) 26.721 1.527 ( 22.030 16.065 21.547) 34.752 2.631 ( -0.952 0.854 -0.046) 1.279 2.715 ( 2.281 0.298 1.361) 2.673 3.444 ( 1.930 1.668 -0.987) 2.736 7.778 ( 2.498 1.403 6.021) 6.668 7.937 ( 3.174 1.707 0.786) 3.689 8.708 ( 0.922 1.614 1.904) 2.661 8.787 ( 0.931 -0.480 0.147) 1.058 9.151 ( -1.400 -0.379 -1.960) 2.439 10.949 ( -5.236 -2.525 3.161) 6.617 13.272 ( -2.118 -0.907 -2.343) 3.286 13.374 ( -1.993 0.250 0.989) 2.239 13.444 ( 0.707 2.526 -0.699) 2.714 15.785 ( -2.825 -2.579 2.466) 4.551 15.951 ( 0.013 -2.732 -0.514) 2.780 16.236 ( -0.731 0.092 -4.171) 4.236 16.415 ( 4.540 1.611 -2.431) 5.396 16.474 ( 5.159 0.877 5.345) 7.480 21.716 ( 0.017 0.088 -0.219) 0.236 23.678 ( 2.337 -2.437 -5.969) 6.858 23.863 ( -4.399 -0.029 1.727) 4.726 27.214 ( -4.032 0.245 0.768) 4.112 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 20.383 6.921 4.652) 22.023 1.647 ( 20.383 12.375 6.324) 24.669 2.109 ( 16.451 8.076 15.668) 24.111 2.638 ( 0.276 2.540 0.495) 2.602 2.764 ( 2.171 -0.103 1.765) 2.800 3.496 ( 2.420 2.895 -0.969) 3.896 7.883 ( 3.421 2.089 4.772) 6.232 8.023 ( 3.736 2.146 1.208) 4.475 8.733 ( -0.695 0.737 0.804) 1.293 8.823 ( 2.987 0.132 1.346) 3.279 9.112 ( -1.957 -0.211 -0.020) 1.968 10.855 ( -4.260 -1.854 0.019) 4.646 13.206 ( -2.420 -0.945 -2.683) 3.735 13.347 ( -2.211 0.251 1.252) 2.553 13.476 ( 0.528 2.856 -0.838) 3.023 15.722 ( -3.380 -2.774 3.029) 5.319 15.915 ( 0.322 -3.876 -1.575) 4.196 16.195 ( -1.566 0.598 -2.940) 3.384 16.497 ( 5.214 1.387 -2.745) 6.054 16.617 ( 5.796 0.846 6.039) 8.413 21.713 ( -0.218 0.057 -0.377) 0.439 23.636 ( 2.196 -5.727 -6.470) 8.915 23.803 ( -5.511 2.232 3.432) 6.865 27.148 ( -4.194 0.648 -0.464) 4.269 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 15.886 4.058 4.829) 17.092 2.115 ( 15.010 13.138 4.848) 20.528 2.397 ( 4.647 0.382 5.407) 7.140 2.718 ( 4.342 1.742 2.673) 5.388 2.813 ( 2.166 0.108 2.027) 2.969 3.581 ( 3.597 4.470 0.626) 5.771 7.991 ( 3.528 2.057 3.169) 5.170 8.116 ( 3.366 2.478 1.279) 4.371 8.717 ( -1.191 -1.083 0.357) 1.649 8.889 ( 2.592 0.466 1.788) 3.183 9.087 ( -1.484 0.714 0.960) 1.906 10.774 ( -2.832 -1.135 -1.277) 3.307 13.143 ( -1.946 -0.786 -2.204) 3.043 13.322 ( -1.880 0.284 1.140) 2.217 13.505 ( 0.254 2.538 -0.709) 2.647 15.660 ( -3.080 -2.299 2.853) 4.786 15.866 ( 0.290 -4.263 -2.400) 4.901 16.160 ( -1.610 1.045 -1.524) 2.451 16.577 ( 4.570 0.941 -2.391) 5.244 16.756 ( 4.905 0.725 5.180) 7.171 21.705 ( -0.399 0.012 -0.427) 0.585 23.562 ( 0.632 -6.411 -3.984) 7.575 23.766 ( -3.984 3.007 1.750) 5.289 27.084 ( -3.460 0.747 -0.758) 3.620 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 9.510 0.957 3.486) 10.174 2.425 ( -0.128 4.659 0.776) 4.725 2.478 ( 8.087 7.007 2.767) 11.053 2.787 ( 2.150 -1.592 1.159) 2.916 2.849 ( 1.046 -2.210 0.915) 2.610 3.699 ( 3.480 3.764 1.622) 5.377 8.075 ( 2.421 1.140 1.523) 3.079 8.195 ( 2.104 2.222 0.767) 3.155 8.684 ( -1.096 -1.678 0.292) 2.026 8.934 ( 1.130 0.135 1.290) 1.721 9.086 ( -0.501 1.039 0.779) 1.392 10.722 ( -1.359 -0.525 -1.142) 1.851 13.100 ( -1.034 -0.455 -1.206) 1.652 13.306 ( -1.064 0.223 0.687) 1.285 13.525 ( 0.076 1.542 -0.379) 1.589 15.615 ( -1.852 -1.297 1.750) 2.859 15.818 ( 0.086 -2.864 -1.859) 3.415 16.141 ( -0.957 0.783 -0.516) 1.340 16.634 ( 2.671 0.457 -1.387) 3.044 16.856 ( 2.795 0.443 2.980) 4.109 21.696 ( -0.321 -0.008 -0.287) 0.431 23.494 ( -0.110 -3.923 -1.702) 4.278 23.747 ( -2.002 1.810 0.454) 2.737 27.039 ( -1.945 0.497 -0.507) 2.070 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 0.000 0.000 0.000) 0.000 2.426 ( 0.000 -0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.229 ( 0.000 0.000 0.000) 0.000 8.664 ( 0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 9.091 ( 0.000 0.000 0.000) 0.000 10.704 ( 0.000 0.000 0.000) 0.000 13.084 ( 0.000 0.000 0.000) 0.000 13.300 ( 0.000 0.000 0.000) 0.000 13.532 ( 0.000 0.000 0.000) 0.000 15.598 ( 0.000 0.000 0.000) 0.000 15.797 ( 0.000 0.000 0.000) 0.000 16.135 ( 0.000 0.000 0.000) 0.000 16.655 ( 0.000 0.000 0.000) 0.000 16.893 ( 0.000 0.000 0.000) 0.000 21.692 ( 0.000 0.000 0.000) 0.000 23.467 ( 0.000 0.000 0.000) 0.000 23.740 ( 0.000 0.000 0.000) 0.000 27.023 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -0.050 16.429 7.097) 17.897 0.561 ( -6.858 15.951 18.111) 25.089 1.096 ( 2.943 31.875 31.539) 44.938 2.658 ( 1.335 0.265 1.011) 1.696 2.672 ( -1.183 1.563 1.078) 2.237 3.407 ( 0.147 1.545 -0.720) 1.711 7.741 ( -0.046 -3.292 8.514) 9.128 7.883 ( -0.163 1.984 0.996) 2.226 8.685 ( 0.266 -0.761 3.571) 3.660 8.797 ( -0.033 0.349 1.212) 1.262 9.162 ( 0.205 5.128 -6.144) 8.006 11.000 ( 0.370 -20.713 6.330) 21.662 13.310 ( 0.188 -1.729 -1.590) 2.356 13.399 ( 0.563 -0.575 0.284) 0.853 13.416 ( 2.130 1.126 -0.354) 2.435 15.849 ( -0.950 -3.221 3.004) 4.506 15.964 ( -2.387 -0.543 -1.200) 2.727 16.216 ( 0.176 3.995 -6.545) 7.670 16.323 ( -0.107 0.477 -0.910) 1.033 16.443 ( -1.487 7.271 4.306) 8.580 21.714 ( 0.020 0.057 -0.189) 0.198 23.741 ( -1.754 3.523 1.870) 4.357 23.914 ( 0.869 7.594 -6.414) 9.978 27.223 ( 1.901 -10.731 1.214) 10.965 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 21.831 8.782 11.119) 26.026 0.896 ( 12.201 17.775 8.181) 23.060 1.680 ( 7.663 25.404 27.258) 38.041 2.662 ( -1.416 0.400 2.022) 2.500 2.707 ( 1.373 2.151 1.172) 2.808 3.435 ( 1.223 2.787 -0.694) 3.122 7.783 ( 1.855 -1.053 6.563) 6.901 7.924 ( 1.669 2.630 0.815) 3.220 8.720 ( 1.333 0.919 2.976) 3.388 8.796 ( -1.400 0.731 1.117) 1.935 9.168 ( -0.938 2.224 -2.187) 3.257 10.851 ( 4.087 -18.541 -3.684) 19.340 13.272 ( -0.912 -2.096 -2.131) 3.125 13.404 ( -0.059 0.105 -0.184) 0.220 13.456 ( 0.919 1.150 0.550) 1.572 15.798 ( -1.912 -3.860 1.454) 4.546 15.917 ( -1.333 -1.142 -1.170) 2.110 16.226 ( 0.011 2.764 -3.529) 4.483 16.343 ( 2.784 0.146 -1.183) 3.028 16.523 ( -0.839 7.700 5.768) 9.657 21.714 ( 0.102 -0.026 -0.363) 0.378 23.705 ( -6.213 5.195 -0.884) 8.147 23.951 ( -1.837 3.449 1.650) 4.242 27.169 ( 3.377 -9.455 -2.820) 10.428 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 17.182 7.665 12.923) 22.825 1.398 ( 23.953 15.350 2.381) 28.549 2.167 ( 6.300 16.304 19.214) 25.975 2.663 ( -0.385 0.440 2.303) 2.376 2.762 ( 0.998 2.402 2.357) 3.511 3.493 ( 1.792 4.349 -0.192) 4.707 7.861 ( 3.481 -0.779 5.301) 6.390 7.998 ( 3.070 2.914 0.661) 4.284 8.776 ( -1.671 1.418 2.210) 3.112 8.789 ( 2.172 0.599 1.623) 2.777 9.151 ( -1.889 1.256 -0.298) 2.288 10.723 ( 6.057 -16.902 -8.329) 19.792 13.213 ( -1.706 -1.989 -2.369) 3.533 13.393 ( -1.461 0.576 -0.034) 1.570 13.481 ( 0.935 0.596 -0.152) 1.119 15.739 ( -1.269 -3.932 0.670) 4.186 15.873 ( -1.628 -1.681 -0.385) 2.371 16.218 ( -1.506 1.837 -1.836) 3.003 16.401 ( 4.843 -0.014 -1.413) 5.045 16.643 ( 0.927 7.903 6.283) 10.139 21.711 ( 0.048 -0.215 -0.619) 0.657 23.641 ( -5.845 4.324 -0.592) 7.295 23.944 ( -4.742 2.822 4.099) 6.874 27.106 ( 2.595 -8.383 -5.042) 10.121 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 14.626 6.947 8.587) 18.328 1.958 ( 21.642 12.791 4.715) 25.578 2.441 ( 0.967 8.952 7.986) 12.036 2.694 ( 1.853 -0.464 3.083) 3.627 2.817 ( 0.428 1.661 3.959) 4.315 3.580 ( 2.508 5.165 0.807) 5.798 7.949 ( 4.275 -1.200 3.827) 5.862 8.088 ( 3.626 2.543 0.554) 4.464 8.748 ( -2.535 -0.124 1.070) 2.754 8.864 ( 2.673 1.226 2.186) 3.665 9.131 ( -1.804 1.241 0.324) 2.214 10.620 ( 7.599 -15.104 -9.939) 19.613 13.151 ( -1.713 -1.524 -2.078) 3.095 13.367 ( -2.158 0.502 -0.004) 2.216 13.497 ( 1.397 -0.528 -1.159) 1.890 15.689 ( -1.362 -2.999 1.506) 3.621 15.824 ( -1.762 -1.283 -0.858) 2.343 16.192 ( -1.902 0.889 -1.007) 2.329 16.485 ( 5.602 0.116 -0.887) 5.672 16.779 ( 1.008 7.414 5.845) 9.495 21.703 ( -0.029 -0.453 -0.848) 0.961 23.590 ( -5.486 4.006 2.512) 7.242 23.903 ( -6.060 3.229 2.915) 7.460 27.031 ( 2.593 -8.103 -6.231) 10.546 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 10.141 3.386 6.078) 12.298 2.410 ( 12.816 9.353 4.238) 16.422 2.535 ( -1.914 10.299 1.993) 10.664 2.739 ( 2.374 -2.052 2.182) 3.822 2.843 ( -0.805 -1.306 3.647) 3.957 3.676 ( 3.058 2.739 0.331) 4.119 8.028 ( 4.122 -1.712 2.192) 4.972 8.169 ( 3.107 0.942 0.396) 3.271 8.708 ( -2.406 -0.191 0.740) 2.525 8.921 ( 1.627 0.521 1.000) 1.979 9.118 ( -1.381 1.168 0.045) 1.809 10.557 ( 8.852 -13.067 -9.465) 18.404 13.103 ( -1.037 -0.852 -1.322) 1.884 13.333 ( -1.852 0.022 -0.437) 1.903 13.502 ( 1.646 -1.767 -1.638) 2.918 15.651 ( -2.141 -1.611 2.658) 3.773 15.788 ( -0.592 0.277 -1.475) 1.613 16.160 ( -1.473 -0.130 -0.671) 1.624 16.575 ( 4.704 0.428 0.210) 4.729 16.887 ( -0.317 6.202 4.182) 7.487 21.691 ( 0.067 -0.624 -0.886) 1.086 23.572 ( -5.603 5.174 7.125) 10.437 23.845 ( -5.716 3.580 0.069) 6.745 26.959 ( 3.684 -8.435 -6.673) 11.368 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 4.535 -0.293 3.505) 5.739 2.518 ( -3.710 7.651 -2.026) 8.742 2.670 ( -2.330 -0.377 4.554) 5.129 2.785 ( 2.750 3.219 1.218) 4.406 2.840 ( 0.929 1.083 2.399) 2.792 3.720 ( 2.000 -1.910 -2.131) 3.491 8.077 ( 2.554 -2.141 0.598) 3.386 8.204 ( 1.420 -2.389 0.093) 2.781 8.685 ( -1.252 1.581 0.232) 2.030 8.943 ( 0.516 0.073 -0.584) 0.783 9.102 ( -1.218 0.441 -0.761) 1.502 10.539 ( 9.560 -11.242 -7.630) 16.613 13.083 ( -0.063 -0.181 -0.290) 0.348 13.302 ( -0.874 -0.410 -1.074) 1.444 13.498 ( 1.613 -2.740 -1.328) 3.445 15.618 ( -2.009 -0.488 1.579) 2.602 15.799 ( 0.705 2.665 -0.176) 2.763 16.133 ( -0.581 -0.977 -0.445) 1.221 16.648 ( 2.348 0.635 1.582) 2.902 16.937 ( -2.343 4.535 1.319) 5.272 21.683 ( 0.389 -0.627 -0.651) 0.984 23.594 ( -5.829 6.579 11.015) 14.092 23.789 ( -4.188 4.390 -2.288) 6.484 26.908 ( 5.557 -8.988 -6.458) 12.384 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -2.206 -1.800 -0.473) 2.886 2.481 ( -7.352 3.211 -0.318) 8.029 2.541 ( -7.232 -4.363 -0.010) 8.446 2.810 ( -0.137 0.275 -0.872) 0.924 2.915 ( -2.105 4.554 2.372) 5.549 3.678 ( -0.574 -4.694 -3.474) 5.868 8.069 ( -0.504 -3.235 -0.987) 3.420 8.177 ( 0.085 -4.345 -0.463) 4.370 8.699 ( -0.174 2.997 0.164) 3.006 8.939 ( -0.308 0.320 -1.521) 1.585 9.075 ( -0.919 -0.188 -1.700) 1.942 10.558 ( 9.848 -9.952 -5.575) 15.070 13.094 ( 0.943 0.291 0.888) 1.327 13.285 ( 0.290 -0.247 -1.476) 1.525 13.487 ( 1.318 -3.285 -0.381) 3.560 15.601 ( -0.253 0.710 -0.752) 1.065 15.852 ( 0.907 3.929 1.253) 4.223 16.120 ( 0.576 -1.191 0.139) 1.330 16.682 ( -0.856 0.321 3.140) 3.270 16.913 ( -4.306 3.080 -2.365) 5.799 21.685 ( 0.742 -0.469 -0.240) 0.910 23.634 ( -3.798 4.249 8.341) 10.102 23.773 ( -4.276 8.402 1.196) 9.503 26.891 ( 7.659 -9.177 -5.619) 13.208 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -11.559 -2.723 -7.326) 13.953 2.231 ( -15.362 -10.098 3.784) 18.769 2.474 ( -4.032 5.580 -4.064) 7.995 2.774 ( -4.443 -1.380 -1.657) 4.939 2.857 ( -5.309 -0.593 -0.913) 5.420 3.591 ( -2.263 -3.425 -1.118) 4.255 7.988 ( -2.501 -4.767 -2.412) 5.898 8.127 ( -1.370 -2.822 -0.925) 3.270 8.725 ( -0.254 1.902 0.454) 1.972 8.913 ( -1.780 -0.484 -1.397) 2.314 9.062 ( 0.558 1.529 -2.008) 2.585 10.603 ( 10.111 -8.814 -4.160) 14.044 13.132 ( 1.859 0.554 2.025) 2.804 13.289 ( 1.152 0.606 -1.383) 1.899 13.473 ( 0.834 -3.526 0.674) 3.686 15.617 ( 1.897 1.880 -2.686) 3.788 15.907 ( 0.545 2.755 0.873) 2.941 16.137 ( 1.654 -0.216 1.430) 2.197 16.664 ( -3.964 -0.962 4.807) 6.305 16.826 ( -5.711 2.677 -6.176) 8.827 21.695 ( 0.850 -0.267 0.123) 0.899 23.655 ( 1.180 -0.311 0.171) 1.232 23.819 ( -7.165 12.937 8.927) 17.274 26.916 ( 9.236 -8.415 -4.179) 13.175 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -16.720 -6.954 -13.215) 22.418 1.858 ( -21.213 -8.010 5.463) 23.324 2.314 ( -17.765 1.155 -9.583) 20.218 2.630 ( -2.819 -3.601 0.711) 4.628 2.799 ( -2.159 0.595 -1.333) 2.606 3.529 ( -2.658 -1.384 1.435) 3.323 7.877 ( -2.879 -4.178 -3.172) 5.984 8.061 ( -3.163 -1.374 -0.939) 3.574 8.730 ( -0.718 0.310 0.473) 0.914 8.856 ( -2.326 -1.452 -1.126) 2.964 9.097 ( 1.395 3.318 -0.731) 3.673 10.674 ( 10.327 -7.047 -3.441) 12.967 13.191 ( 2.471 0.665 2.576) 3.631 13.316 ( 1.398 1.700 -0.710) 2.313 13.455 ( 0.284 -3.576 1.400) 3.851 15.665 ( 3.424 2.590 -3.556) 5.575 15.934 ( 0.624 0.582 -0.429) 0.955 16.185 ( 1.903 0.683 2.328) 3.084 16.595 ( -5.774 -2.974 5.863) 8.750 16.700 ( -6.572 3.446 -8.719) 11.449 21.707 ( 0.615 -0.126 0.269) 0.683 23.679 ( 3.916 -2.123 -2.610) 5.162 23.881 ( -7.871 12.483 9.848) 17.741 26.982 ( 9.499 -6.444 -2.282) 11.702 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -19.652 -9.011 -14.515) 26.040 1.429 ( -25.634 -4.307 4.567) 26.391 1.828 ( -28.607 -2.677 -7.588) 29.717 2.613 ( 0.638 -0.405 0.975) 1.233 2.754 ( -2.754 0.320 -1.036) 2.959 3.483 ( -2.832 -0.585 1.395) 3.211 7.774 ( -2.972 -2.337 -2.813) 4.712 7.985 ( -3.943 -0.553 -0.531) 4.017 8.713 ( -1.532 -0.319 0.282) 1.591 8.805 ( -1.253 -0.906 -0.588) 1.654 9.152 ( 1.408 2.511 0.663) 2.954 10.770 ( 9.672 -4.148 -2.697) 10.864 13.255 ( 2.507 0.469 1.730) 3.082 13.358 ( 0.988 2.689 0.669) 2.941 13.431 ( -0.136 -3.383 1.742) 3.808 15.730 ( 3.800 2.271 -3.112) 5.411 15.942 ( 1.190 -0.408 -1.507) 1.963 16.234 ( 1.538 0.094 1.860) 2.416 16.498 ( -5.564 -3.760 5.113) 8.441 16.563 ( -6.867 3.727 -8.308) 11.405 21.715 ( 0.215 -0.053 0.199) 0.297 23.708 ( 3.424 -1.892 -2.180) 4.478 23.921 ( -5.362 7.858 6.228) 11.371 27.076 ( 8.001 -3.426 -0.166) 8.705 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -21.889 -2.005 -8.183) 23.454 0.971 ( -28.143 2.200 -0.434) 28.232 1.255 ( -33.780 -0.634 3.883) 34.008 2.632 ( 0.789 0.226 0.740) 1.106 2.701 ( -2.666 -0.150 -0.568) 2.730 3.440 ( -2.414 -0.020 0.340) 2.438 7.700 ( -2.769 -0.065 -0.062) 2.771 7.916 ( -3.388 0.009 -0.077) 3.389 8.682 ( -1.983 0.134 0.499) 2.049 8.787 ( -0.156 -0.332 -0.202) 0.418 9.194 ( 1.342 0.194 0.136) 1.363 10.885 ( 7.210 -0.080 0.539) 7.231 13.302 ( 1.943 0.004 -0.030) 1.944 13.401 ( 0.237 0.739 0.455) 0.900 13.413 ( -0.312 -0.716 2.792) 2.899 15.789 ( 3.051 0.431 -1.370) 3.372 15.952 ( 1.647 0.058 -1.998) 2.590 16.262 ( 1.179 -0.356 0.486) 1.324 16.411 ( -3.967 -2.233 2.188) 5.051 16.438 ( -5.887 2.264 -4.835) 7.947 21.717 ( -0.072 -0.000 0.047) 0.086 23.718 ( 0.424 -0.472 -2.044) 2.140 23.936 ( -0.497 0.334 0.941) 1.116 27.179 ( 5.057 0.060 2.297) 5.555 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -18.258 19.624 -2.680) 26.937 1.073 ( -18.354 9.531 21.688) 29.968 1.623 ( -6.443 27.315 27.536) 39.318 2.635 ( 1.841 -0.144 0.802) 2.013 2.728 ( -1.520 2.596 2.123) 3.682 3.422 ( -0.695 1.817 -1.422) 2.410 7.781 ( -1.757 -1.190 6.024) 6.386 7.930 ( -1.736 2.576 1.337) 3.383 8.703 ( -0.365 0.262 2.421) 2.463 8.803 ( 0.429 0.780 1.386) 1.647 9.163 ( 1.114 2.455 -2.364) 3.585 10.836 ( -3.823 -19.334 -3.976) 20.105 13.262 ( 1.160 -2.415 -2.703) 3.806 13.387 ( 1.081 0.091 -0.795) 1.345 13.391 ( -0.304 -0.649 -0.120) 0.727 15.835 ( 1.412 -2.197 2.398) 3.546 15.987 ( -0.008 -0.355 1.406) 1.450 16.208 ( 0.427 1.869 -4.644) 5.025 16.353 ( -3.305 0.987 -1.286) 3.681 16.583 ( -0.339 10.089 6.969) 12.267 21.712 ( -0.034 -0.134 -0.435) 0.456 23.764 ( 4.769 7.650 -0.169) 9.016 23.922 ( 2.809 2.197 1.401) 3.831 27.105 ( -2.274 -11.826 -4.094) 12.720 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -1.103 17.578 7.836) 19.277 1.096 ( -5.616 14.752 17.000) 23.198 2.031 ( 1.196 24.130 24.613) 34.489 2.689 ( 1.635 0.935 2.240) 2.927 2.738 ( -1.481 2.909 2.431) 4.070 3.442 ( 1.062 3.298 -0.899) 3.580 7.791 ( 0.280 -1.307 5.208) 5.377 7.939 ( -0.283 2.025 0.712) 2.166 8.730 ( 0.700 1.129 2.530) 2.858 8.829 ( 0.087 0.663 2.153) 2.255 9.190 ( -0.006 2.326 -1.054) 2.554 10.515 ( 0.896 -25.306 -10.814) 27.534 13.232 ( 0.586 -3.023 -2.739) 4.121 13.388 ( 1.187 -1.284 0.297) 1.774 13.425 ( 2.166 0.890 -1.410) 2.734 15.820 ( -1.790 -3.231 3.246) 4.917 15.959 ( -3.214 1.053 -0.338) 3.399 16.229 ( 1.096 3.127 -2.494) 4.147 16.319 ( -0.601 0.732 -1.442) 1.725 16.699 ( -3.179 10.501 7.809) 13.467 21.707 ( 0.111 -0.331 -0.668) 0.754 23.871 ( -3.215 6.043 3.180) 7.548 24.005 ( 1.522 5.581 0.288) 5.792 26.946 ( 3.497 -13.858 -5.837) 15.438 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 14.920 12.112 12.170) 22.747 1.372 ( 7.082 17.640 9.662) 21.323 2.396 ( 1.235 16.217 16.479) 23.153 2.700 ( -1.817 0.102 2.800) 3.339 2.800 ( 0.938 4.095 4.387) 6.074 3.509 ( 2.051 5.028 0.474) 5.451 7.831 ( 2.217 -1.698 4.320) 5.144 7.976 ( 2.257 1.737 -0.164) 2.853 8.781 ( 1.617 1.579 2.305) 3.228 8.839 ( -1.782 1.232 2.326) 3.178 9.189 ( -1.356 0.454 0.610) 1.554 10.265 ( 9.987 -26.454 -16.056) 32.517 13.187 ( -0.134 -3.004 -2.733) 4.063 13.398 ( 1.018 -0.900 -0.028) 1.359 13.445 ( 1.318 -0.913 -1.939) 2.516 15.768 ( -3.717 -1.462 3.445) 5.275 15.916 ( -2.965 1.178 0.181) 3.195 16.250 ( -0.799 2.335 -1.317) 2.797 16.327 ( 2.410 0.318 -1.801) 3.026 16.807 ( -2.815 11.383 8.519) 14.494 21.699 ( 0.175 -0.632 -0.970) 1.171 23.847 ( -8.191 7.863 2.143) 11.555 24.063 ( -2.059 3.760 3.905) 5.798 26.859 ( 6.794 -14.097 -7.928) 17.543 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 15.698 7.193 14.450) 22.516 1.782 ( 16.022 18.308 3.024) 24.516 2.600 ( -0.899 10.035 7.029) 12.285 2.693 ( -0.693 -0.111 2.299) 2.404 2.877 ( -0.716 2.651 6.673) 7.215 3.603 ( 1.772 5.004 1.558) 5.533 7.884 ( 3.568 -2.712 3.313) 5.573 8.043 ( 3.872 1.259 -0.731) 4.137 8.806 ( -2.433 0.764 0.837) 2.684 8.856 ( 1.290 1.391 2.792) 3.375 9.168 ( -1.384 -0.559 0.912) 1.749 10.118 ( 15.310 -24.784 -17.586) 34.028 13.137 ( -0.542 -2.439 -2.353) 3.432 13.398 ( -0.890 0.355 -0.410) 1.042 13.432 ( 1.850 -3.499 -2.501) 4.682 15.724 ( -3.343 0.298 3.661) 4.967 15.877 ( -3.436 1.308 0.379) 3.696 16.229 ( -2.310 0.382 -0.283) 2.358 16.387 ( 5.111 0.796 -1.682) 5.439 16.933 ( -2.437 11.286 8.137) 14.125 21.687 ( 0.181 -0.959 -1.260) 1.594 23.811 ( -7.956 9.306 4.826) 13.160 24.059 ( -5.407 3.149 3.966) 7.409 26.778 ( 6.804 -14.225 -9.776) 18.553 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 8.907 6.695 9.470) 14.623 2.276 ( 18.193 13.048 4.148) 22.769 2.684 ( -0.397 3.308 2.957) 4.454 2.711 ( -0.764 5.739 0.516) 5.813 2.901 ( -2.943 -0.493 6.374) 7.038 3.665 ( 0.673 1.323 0.150) 1.492 7.940 ( 4.447 -3.597 2.203) 6.129 8.112 ( 3.840 -0.304 -0.828) 3.940 8.763 ( -3.060 0.371 0.199) 3.089 8.904 ( 1.500 0.296 1.005) 1.830 9.147 ( -1.049 -0.360 0.198) 1.126 10.064 ( 17.593 -21.221 -15.663) 31.705 13.095 ( -0.363 -1.506 -1.596) 2.225 13.359 ( -2.137 -0.784 -1.697) 2.839 13.423 ( 2.539 -3.309 -1.761) 4.527 15.705 ( -2.813 0.462 4.377) 5.223 15.836 ( -3.260 3.073 -0.484) 4.506 16.184 ( -2.353 -0.897 -0.232) 2.529 16.487 ( 6.097 1.021 -0.345) 6.191 17.037 ( -3.513 9.705 6.519) 12.208 21.672 ( 0.301 -1.149 -1.347) 1.796 23.833 ( -7.136 10.426 11.203) 16.886 23.998 ( -7.229 4.210 0.261) 8.370 26.684 ( 7.199 -14.934 -11.040) 19.918 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 3.655 4.104 5.527) 7.794 2.607 ( 3.592 8.343 0.375) 9.091 2.702 ( 0.388 -3.142 2.499) 4.034 2.829 ( 1.763 11.985 3.043) 12.491 2.862 ( -1.840 -1.263 4.301) 4.846 3.649 ( 0.282 -3.860 -3.148) 4.988 7.991 ( 4.425 -3.896 1.137) 6.005 8.139 ( 2.143 -3.900 -1.030) 4.568 8.731 ( -1.593 2.085 -0.589) 2.689 8.925 ( 0.914 -0.346 -0.504) 1.100 9.124 ( -1.345 -0.027 -0.889) 1.612 10.086 ( 17.756 -17.541 -12.097) 27.736 13.076 ( 0.223 -0.553 -0.658) 0.888 13.304 ( -1.330 -1.338 -2.038) 2.777 13.423 ( 2.137 -2.887 -1.147) 3.771 15.676 ( -3.502 -0.432 2.800) 4.504 15.842 ( -1.037 5.651 0.452) 5.763 16.134 ( -1.570 -1.621 -0.395) 2.291 16.599 ( 5.243 1.182 0.920) 5.453 17.079 ( -5.415 6.905 3.822) 9.572 21.660 ( 0.646 -1.065 -1.092) 1.657 23.858 ( -8.772 -0.462 12.105) 14.956 23.966 ( -5.919 17.883 1.497) 18.897 26.594 ( 9.052 -15.922 -11.471) 21.611 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -1.250 1.762 1.924) 2.893 2.623 ( -5.556 -4.109 1.330) 7.037 2.653 ( -6.184 5.841 0.079) 8.507 2.806 ( -1.020 -0.683 0.026) 1.228 3.022 ( -0.443 7.185 4.550) 8.516 3.584 ( 1.832 -5.623 -4.930) 7.699 8.017 ( 1.979 -3.952 -0.286) 4.429 8.101 ( 1.574 -6.680 -1.212) 6.969 8.743 ( -0.598 3.812 -0.054) 3.859 8.930 ( 0.547 0.236 -1.095) 1.247 9.088 ( -1.672 0.415 -2.086) 2.706 10.155 ( 16.567 -14.575 -8.421) 23.618 13.083 ( 0.988 0.071 0.288) 1.032 13.270 ( -0.066 -0.416 -1.647) 1.700 13.424 ( 1.830 -2.919 -0.369) 3.465 15.629 ( -2.594 0.285 0.147) 2.614 15.898 ( -0.258 5.398 1.485) 5.605 16.101 ( 0.018 -1.378 -0.298) 1.410 16.691 ( 2.823 1.166 1.861) 3.576 17.037 ( -7.122 3.722 0.435) 8.048 21.660 ( 1.079 -0.744 -0.580) 1.433 23.751 ( -6.725 -1.325 2.360) 7.249 24.094 ( -7.965 19.969 11.657) 24.456 26.541 ( 12.012 -15.777 -10.422) 22.402 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -9.422 -2.237 -4.403) 10.638 2.437 ( -11.442 -6.337 7.026) 14.847 2.596 ( -6.304 7.905 -4.688) 11.145 2.790 ( -0.325 -0.734 -1.348) 1.569 2.981 ( -9.245 -0.760 0.766) 9.308 3.561 ( 1.935 -1.794 -1.484) 3.028 7.955 ( -1.480 -5.604 -2.275) 6.227 8.084 ( 2.183 -3.814 -0.010) 4.395 8.765 ( -1.164 2.624 0.978) 3.032 8.920 ( -1.131 -1.163 -1.002) 1.907 9.071 ( -0.103 3.727 -2.518) 4.499 10.250 ( 14.952 -11.510 -5.077) 19.540 13.114 ( 1.879 0.320 1.010) 2.157 13.275 ( 1.006 1.333 -0.727) 1.822 13.423 ( 1.466 -3.189 0.505) 3.546 15.605 ( -0.421 1.485 -1.911) 2.456 15.934 ( -0.871 1.958 0.508) 2.202 16.116 ( 1.913 0.863 0.583) 2.178 16.735 ( -0.733 0.523 3.070) 3.200 16.923 ( -7.726 1.418 -3.483) 8.592 21.674 ( 1.301 -0.371 -0.069) 1.354 23.654 ( -3.277 -1.629 -0.858) 3.759 24.205 ( -10.415 17.285 12.053) 23.506 26.568 ( 14.505 -12.543 -6.965) 20.402 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -16.752 -5.584 -8.279) 19.503 2.195 ( -17.949 -2.573 7.010) 19.440 2.531 ( -8.568 6.526 -6.773) 12.723 2.693 ( -8.538 -4.358 0.526) 9.600 2.828 ( -2.879 -0.603 -1.270) 3.204 3.566 ( -1.001 -0.040 1.666) 1.943 7.863 ( -1.985 -3.669 -1.807) 4.546 8.076 ( -0.343 -1.587 0.287) 1.649 8.767 ( -1.738 1.289 1.390) 2.572 8.860 ( -1.942 -2.842 -1.167) 3.634 9.115 ( 0.780 4.972 -1.294) 5.197 10.377 ( 13.489 -6.882 -1.933) 15.266 13.164 ( 2.638 0.306 0.941) 2.818 13.318 ( 1.443 3.033 0.724) 3.436 13.417 ( 1.002 -3.525 1.289) 3.885 15.620 ( 1.884 2.368 -3.085) 4.322 15.924 ( -0.452 -0.638 -0.864) 1.165 16.172 ( 2.084 1.623 0.915) 2.796 16.710 ( -5.344 -2.397 6.767) 8.950 16.774 ( -6.174 2.289 -9.315) 11.407 21.693 ( 1.122 -0.113 0.210) 1.147 23.603 ( 0.586 -1.794 -2.145) 2.857 24.221 ( -11.100 9.868 7.280) 16.541 26.698 ( 14.426 -6.118 -1.485) 15.739 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -20.248 -1.874 -6.208) 21.261 1.868 ( -23.451 0.838 4.348) 23.865 2.224 ( -22.489 -0.075 -3.408) 22.746 2.622 ( -0.840 0.860 1.009) 1.570 2.789 ( -1.826 -0.258 -0.836) 2.025 3.542 ( -3.040 -0.014 1.784) 3.525 7.798 ( -2.478 -0.447 0.038) 2.518 8.042 ( -2.943 -0.178 0.502) 2.991 8.753 ( -1.944 0.555 1.480) 2.505 8.803 ( -1.012 -1.884 -0.808) 2.286 9.157 ( 0.612 1.773 -0.548) 1.954 10.554 ( 11.905 -0.659 1.292) 11.993 13.216 ( 2.858 0.033 -0.121) 2.860 13.382 ( 0.989 2.462 1.263) 2.938 13.408 ( 0.715 -2.259 2.745) 3.626 15.669 ( 3.323 1.966 -2.792) 4.765 15.906 ( 0.616 -0.927 -2.079) 2.359 16.219 ( 1.443 0.625 0.496) 1.648 16.592 ( -6.850 -3.096 1.540) 7.673 16.656 ( -5.787 2.333 -4.951) 7.965 21.709 ( 0.638 -0.003 0.203) 0.670 23.610 ( 3.542 -1.363 -2.320) 4.448 24.122 ( -9.243 0.637 0.635) 9.286 26.902 ( 11.517 0.273 3.413) 12.015 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -19.670 9.276 3.677) 22.056 1.479 ( -26.850 6.566 -2.300) 27.737 1.823 ( -26.113 1.499 8.850) 27.613 2.634 ( 0.031 0.877 0.655) 1.095 2.741 ( -2.594 -0.457 -0.189) 2.641 3.493 ( -3.372 0.195 0.346) 3.395 7.771 ( -2.842 2.129 3.024) 4.664 7.985 ( -4.055 0.528 0.580) 4.130 8.732 ( -2.217 0.274 1.599) 2.747 8.781 ( -0.066 -0.002 -0.371) 0.377 9.163 ( 0.800 -1.654 -0.924) 2.056 10.776 ( 9.647 3.512 4.166) 11.079 13.256 ( 2.539 -0.470 -1.376) 2.926 13.382 ( 0.393 -2.958 1.212) 3.221 13.453 ( -0.207 2.318 2.481) 3.401 15.726 ( 3.509 -0.339 -0.418) 3.550 15.910 ( 1.964 0.955 -2.757) 3.517 16.241 ( 1.015 -0.222 -0.501) 1.153 16.472 ( -4.834 0.412 -2.416) 5.420 16.545 ( -6.658 0.441 0.156) 6.674 21.717 ( 0.150 0.014 0.015) 0.152 23.655 ( 3.955 0.167 -3.034) 4.988 23.953 ( -5.288 -5.906 -3.033) 8.487 27.112 ( 7.304 2.366 4.809) 9.059 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -20.578 16.552 -2.025) 26.486 1.594 ( -15.458 9.586 18.691) 26.080 2.169 ( -9.783 20.254 21.333) 31.000 2.609 ( 0.980 -0.647 0.502) 1.277 2.793 ( -0.783 2.872 2.877) 4.140 3.448 ( -1.837 1.744 -1.983) 3.217 7.850 ( -3.558 -1.025 4.040) 5.480 8.003 ( -2.739 2.359 1.367) 3.865 8.727 ( -0.415 0.106 1.656) 1.710 8.828 ( -1.151 1.296 1.639) 2.386 9.144 ( 2.323 1.559 -0.155) 2.802 10.696 ( -6.606 -18.313 -8.985) 21.442 13.196 ( 1.357 -2.448 -3.029) 4.124 13.362 ( 1.486 -0.381 0.316) 1.566 13.400 ( -2.421 -1.567 -1.418) 3.214 15.794 ( 3.052 -1.585 2.514) 4.260 15.979 ( 2.085 0.287 2.105) 2.977 16.177 ( 1.449 0.988 -3.769) 4.157 16.430 ( -4.944 1.580 -1.395) 5.374 16.734 ( 0.923 10.997 8.057) 13.664 21.706 ( -0.048 -0.470 -0.743) 0.880 23.749 ( 5.915 11.085 -4.579) 13.373 23.880 ( 5.558 -1.983 8.438) 10.297 27.009 ( -4.512 -12.312 -6.554) 14.659 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -12.612 19.770 3.081) 23.652 1.530 ( -15.314 9.488 18.969) 26.161 2.394 ( -2.439 16.594 17.307) 24.101 2.683 ( 3.358 4.210 3.896) 6.647 2.820 ( -1.917 2.886 3.524) 4.942 3.452 ( 0.722 3.483 -1.168) 3.744 7.815 ( -1.511 -1.806 3.437) 4.166 7.981 ( -2.259 0.874 0.375) 2.451 8.749 ( 0.462 1.302 2.244) 2.636 8.840 ( 0.378 0.155 2.361) 2.396 9.198 ( 1.259 2.254 0.048) 2.582 10.231 ( -8.483 -27.310 -16.095) 32.816 13.168 ( 0.939 -2.960 -3.050) 4.353 13.353 ( 0.258 -1.705 -1.155) 2.076 13.399 ( 1.599 0.741 -0.302) 1.788 15.821 ( 0.742 -2.050 2.635) 3.420 16.007 ( -0.662 0.495 1.507) 1.719 16.216 ( 2.314 2.794 -1.816) 4.057 16.358 ( -3.760 1.311 -1.452) 4.238 16.909 ( -1.136 11.913 9.066) 15.013 21.694 ( 0.086 -0.758 -1.047) 1.295 23.952 ( 4.314 10.421 0.555) 11.292 24.015 ( 3.966 2.124 5.825) 7.361 26.742 ( -2.359 -15.551 -8.693) 17.972 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -1.946 18.331 8.568) 20.328 1.582 ( -3.920 12.871 15.173) 20.279 2.591 ( 1.215 8.077 7.740) 11.253 2.774 ( -2.711 3.467 3.633) 5.707 2.877 ( 0.421 6.137 7.864) 9.984 3.526 ( 2.508 5.348 1.353) 6.060 7.809 ( 0.711 -2.346 2.540) 3.529 7.961 ( -0.023 0.006 -0.791) 0.792 8.790 ( 0.857 1.528 1.985) 2.648 8.872 ( 1.054 0.083 2.608) 2.814 9.214 ( -1.246 -1.422 2.149) 2.862 9.760 ( 1.409 -27.373 -21.043) 34.555 13.131 ( 0.656 -3.100 -2.914) 4.305 13.342 ( 1.680 -2.718 -1.301) 3.450 13.423 ( 0.682 0.682 -1.037) 1.416 15.827 ( -0.780 -1.042 4.292) 4.485 15.991 ( -3.121 1.895 0.689) 3.716 16.262 ( 1.013 2.742 -1.714) 3.388 16.314 ( -1.448 0.489 -1.076) 1.869 17.049 ( -3.533 12.748 9.800) 16.463 21.680 ( 0.214 -1.087 -1.336) 1.735 24.047 ( -4.080 6.924 3.578) 8.797 24.131 ( 1.765 4.734 3.002) 5.877 26.551 ( 4.477 -15.518 -9.123) 18.550 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 9.975 14.427 11.499) 20.973 1.822 ( 5.215 15.078 9.255) 18.444 2.685 ( -0.248 0.972 3.427) 3.571 2.779 ( -2.068 5.882 1.585) 6.434 2.980 ( -1.461 4.413 7.588) 8.898 3.632 ( 1.774 4.225 2.617) 5.277 7.821 ( 2.277 -3.235 1.607) 4.270 7.977 ( 3.019 -0.432 -1.666) 3.475 8.818 ( 0.838 -1.165 -0.968) 1.731 8.899 ( -0.981 1.164 2.711) 3.109 9.150 ( 0.489 -11.097 2.377) 11.359 9.512 ( 10.735 -16.895 -19.808) 28.161 13.093 ( 0.479 -2.748 -2.546) 3.777 13.333 ( 2.209 -3.705 -2.091) 4.794 13.420 ( -0.781 0.430 -1.011) 1.348 15.826 ( -2.987 0.565 5.334) 6.139 15.959 ( -3.587 2.752 0.590) 4.559 16.273 ( -2.056 0.702 0.101) 2.175 16.312 ( 2.856 1.165 -2.459) 3.945 17.174 ( -4.336 12.871 9.598) 16.631 21.662 ( 0.268 -1.374 -1.575) 2.107 24.052 ( -5.663 8.522 3.833) 10.927 24.188 ( -2.615 3.234 4.252) 5.948 26.438 ( 6.822 -15.516 -10.342) 19.855 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 10.352 9.791 12.416) 18.899 2.160 ( 12.681 15.015 3.656) 19.990 2.679 ( -0.564 -2.111 2.048) 2.995 2.833 ( -0.905 7.702 0.116) 7.756 3.010 ( -3.768 2.094 5.940) 7.339 3.674 ( -0.733 -0.470 0.577) 1.045 7.843 ( 3.555 -4.177 1.118) 5.598 8.023 ( 4.251 -1.386 -1.987) 4.893 8.760 ( 1.449 -6.868 -6.607) 9.640 8.909 ( -0.846 0.698 2.777) 2.986 9.109 ( 3.946 -7.819 1.572) 8.898 9.479 ( 13.016 -11.101 -13.630) 21.873 13.064 ( 0.595 -1.941 -1.858) 2.752 13.312 ( 1.657 -4.094 -2.797) 5.228 13.399 ( -1.222 0.304 -0.461) 1.341 15.806 ( -4.005 0.621 4.842) 6.315 15.934 ( -3.608 4.382 0.353) 5.687 16.224 ( -3.361 -0.943 0.714) 3.563 16.392 ( 5.823 1.804 -1.455) 6.268 17.269 ( -5.565 11.119 7.975) 14.772 21.643 ( 0.388 -1.476 -1.607) 2.216 24.108 ( -3.655 10.002 10.178) 14.731 24.162 ( -6.302 4.193 0.716) 7.603 26.322 ( 6.586 -16.679 -12.088) 21.626 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 3.079 7.437 7.263) 10.842 2.554 ( 12.754 9.153 3.424) 16.067 2.671 ( 1.135 -1.679 1.033) 2.275 2.899 ( 0.381 4.769 1.501) 5.014 2.985 ( -4.861 4.296 3.224) 7.244 3.606 ( -2.729 -5.260 -2.480) 6.424 7.876 ( 4.615 -4.529 0.957) 6.537 8.041 ( 2.706 -4.977 -2.576) 6.223 8.713 ( 4.395 -2.392 -6.718) 8.377 8.916 ( -0.542 -0.087 2.261) 2.326 9.114 ( 1.556 -3.075 0.255) 3.456 9.538 ( 15.840 -11.575 -9.765) 21.914 13.053 ( 0.953 -0.965 -1.010) 1.691 13.277 ( 0.488 -2.960 -2.337) 3.803 13.383 ( -0.236 -0.460 -0.325) 0.611 15.760 ( -4.471 -0.305 2.648) 5.205 15.940 ( -2.296 6.340 1.120) 6.835 16.157 ( -3.285 -1.634 0.394) 3.690 16.514 ( 6.593 1.737 0.133) 6.820 17.295 ( -7.624 7.733 5.318) 12.091 21.628 ( 0.735 -1.279 -1.300) 1.967 24.050 ( -9.369 -0.310 3.658) 10.062 24.281 ( -1.988 18.560 10.351) 21.344 26.181 ( 7.835 -18.934 -13.721) 24.660 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -1.471 4.537 3.147) 5.715 2.638 ( -0.799 -4.051 1.257) 4.316 2.770 ( 0.309 7.225 -1.721) 7.434 2.855 ( -5.227 -3.914 3.768) 7.539 3.112 ( 3.926 10.785 3.375) 11.964 3.475 ( -1.381 -6.864 -4.487) 8.316 7.922 ( 4.622 -3.984 0.918) 6.171 7.987 ( 1.482 -7.758 -3.365) 8.585 8.764 ( 3.231 4.020 -3.290) 6.118 8.923 ( -0.094 0.129 1.755) 1.762 9.099 ( -0.472 -0.585 -1.376) 1.568 9.657 ( 18.058 -11.937 -6.683) 22.654 13.063 ( 1.327 -0.231 -0.241) 1.368 13.252 ( 0.490 -0.915 -1.246) 1.621 13.377 ( 0.672 -1.356 -0.231) 1.531 15.692 ( -4.206 0.038 0.499) 4.236 15.986 ( -1.501 6.329 1.697) 6.723 16.094 ( -1.663 -1.899 -0.315) 2.544 16.639 ( 5.521 1.512 0.813) 5.782 17.229 ( -9.657 3.696 2.439) 10.624 21.628 ( 1.240 -0.838 -0.727) 1.664 23.892 ( -9.726 -0.842 0.625) 9.782 24.510 ( -5.453 21.241 14.399) 26.235 26.065 ( 12.853 -19.773 -13.505) 27.176 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( -8.278 -0.264 -0.979) 8.340 2.550 ( -4.185 -4.347 2.630) 6.582 2.766 ( -6.558 5.977 -1.621) 9.020 2.780 ( -1.168 -0.869 -0.703) 1.617 3.147 ( -9.518 -0.236 1.931) 9.715 3.471 ( 6.767 0.659 -1.436) 6.949 7.897 ( 0.076 -5.360 -2.623) 5.968 7.988 ( 4.880 -3.451 1.136) 6.084 8.816 ( -0.388 3.165 0.006) 3.189 8.925 ( -1.286 -0.839 0.376) 1.581 9.096 ( 0.260 4.024 -1.918) 4.465 9.832 ( 18.387 -9.085 -2.901) 20.713 13.089 ( 1.748 0.054 0.181) 1.758 13.265 ( 1.462 1.362 -0.088) 2.000 13.375 ( 1.096 -2.114 0.188) 2.388 15.634 ( -2.696 1.012 -1.148) 3.100 15.988 ( -3.348 0.778 0.516) 3.475 16.098 ( 2.007 2.256 -0.205) 3.026 16.732 ( 3.084 1.257 0.398) 3.354 17.080 ( -10.736 0.142 0.294) 10.741 21.644 ( 1.610 -0.360 -0.145) 1.656 23.727 ( -7.683 -1.406 -1.304) 7.919 24.631 ( -11.949 14.346 10.122) 21.238 26.105 ( 19.380 -12.334 -6.938) 23.997 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -14.870 -3.015 -3.124) 15.491 2.463 ( -8.800 -0.776 6.290) 10.845 2.679 ( -7.239 6.565 -4.781) 10.879 2.761 ( -1.247 -0.242 -0.376) 1.325 2.922 ( -11.930 -4.295 -1.458) 12.763 3.575 ( 2.414 1.792 1.927) 3.571 7.848 ( -0.287 -1.641 -0.783) 1.841 8.045 ( 3.066 -1.277 1.852) 3.802 8.818 ( -1.764 0.621 0.440) 1.921 8.868 ( -2.736 -1.906 0.120) 3.337 9.143 ( 0.441 4.481 -1.373) 4.707 10.071 ( 16.821 -2.296 1.503) 17.043 13.125 ( 2.304 0.019 -0.084) 2.306 13.325 ( 2.277 3.158 1.257) 4.091 13.373 ( 1.113 -2.720 0.785) 3.041 15.611 ( -0.397 1.900 -2.279) 2.993 15.932 ( -2.297 -1.349 -0.890) 2.808 16.159 ( 2.046 2.361 -0.338) 3.143 16.767 ( -0.184 1.443 -2.095) 2.550 16.886 ( -10.399 -2.390 0.707) 10.694 21.670 ( 1.583 -0.039 0.205) 1.597 23.600 ( -3.803 -1.649 -2.107) 4.650 24.514 ( -13.432 0.765 0.455) 13.461 26.376 ( 19.442 -0.037 2.742) 19.635 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -17.071 2.747 0.020) 17.290 2.273 ( -18.114 1.912 4.777) 18.830 2.528 ( -15.222 1.212 -4.121) 15.816 2.675 ( -3.779 0.961 0.809) 3.982 2.796 ( -0.323 -0.808 -0.892) 1.247 3.603 ( -2.041 0.706 2.334) 3.180 7.844 ( -1.025 2.216 1.706) 2.979 8.081 ( -0.258 0.469 2.068) 2.136 8.769 ( -1.253 -2.668 -0.968) 3.102 8.833 ( -2.298 1.137 1.976) 3.237 9.160 ( -0.419 0.316 -1.009) 1.138 10.372 ( 14.219 4.627 4.825) 15.712 13.163 ( 2.646 -0.263 -0.952) 2.824 13.364 ( 0.691 -2.835 1.120) 3.126 13.417 ( 2.309 3.472 2.554) 4.890 15.626 ( 1.709 1.623 -2.208) 3.230 15.880 ( -0.677 -1.302 -2.191) 2.637 16.201 ( 1.458 0.816 -0.680) 1.804 16.684 ( -6.897 0.999 -7.781) 10.445 16.749 ( -5.209 -2.024 5.585) 7.901 21.696 ( 1.136 0.062 0.232) 1.161 23.544 ( 0.672 -1.266 -2.036) 2.490 24.243 ( -11.023 -7.775 -5.728) 14.655 26.741 ( 14.753 5.706 7.071) 17.327 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -15.905 11.213 6.695) 20.580 1.966 ( -23.508 6.506 -1.130) 24.418 2.256 ( -16.484 1.176 6.526) 17.767 2.662 ( -1.385 1.796 0.411) 2.305 2.776 ( -1.676 -0.058 0.418) 1.728 3.562 ( -4.122 0.194 0.972) 4.239 7.869 ( -2.162 4.001 3.841) 5.952 8.066 ( -3.550 1.080 1.562) 4.026 8.739 ( 0.530 -1.733 -0.136) 1.818 8.822 ( -2.231 1.997 1.833) 3.511 9.132 ( -0.393 -2.545 -0.526) 2.629 10.680 ( 10.631 6.026 5.034) 13.216 13.194 ( 2.562 -0.794 -1.941) 3.311 13.353 ( 0.520 -2.968 1.390) 3.319 13.489 ( 0.382 2.092 1.876) 2.836 15.664 ( 2.895 -0.617 0.144) 2.963 15.868 ( 1.764 1.046 -3.179) 3.783 16.214 ( 0.806 -0.921 -1.239) 1.742 16.552 ( -5.164 2.654 -4.536) 7.368 16.668 ( -6.182 -0.503 3.733) 7.239 21.711 ( 0.518 -0.018 -0.004) 0.518 23.568 ( 4.054 0.272 -2.339) 4.688 23.954 ( -7.063 -9.358 -5.827) 13.093 27.039 ( 8.683 3.797 5.465) 10.940 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -18.617 12.815 -0.122) 22.601 2.014 ( -10.552 7.990 13.825) 19.139 2.530 ( 3.121 10.217 8.350) 13.559 2.659 ( -8.792 2.846 5.465) 10.736 2.844 ( 0.217 2.502 3.292) 4.141 3.504 ( -4.213 1.858 -0.890) 4.690 7.931 ( -4.890 -1.231 1.960) 5.410 8.077 ( -3.139 0.732 0.634) 3.285 8.738 ( 0.516 0.371 1.294) 1.442 8.884 ( -2.276 1.385 1.723) 3.173 9.118 ( 2.616 1.131 1.262) 3.116 10.588 ( -8.805 -16.654 -11.124) 21.878 13.134 ( 1.011 -1.903 -2.485) 3.289 13.335 ( 1.452 -0.656 0.772) 1.771 13.421 ( -3.429 -2.213 -1.829) 4.472 15.737 ( 3.975 -1.227 2.895) 5.068 15.949 ( 3.756 1.511 1.045) 4.181 16.139 ( 0.938 -0.096 -1.990) 2.202 16.525 ( -4.871 2.065 -1.212) 5.428 16.862 ( 2.249 9.769 7.092) 12.280 21.695 ( -0.124 -0.765 -0.943) 1.221 23.709 ( 7.789 11.186 -6.766) 15.217 23.828 ( 5.277 -2.044 12.050) 13.313 26.933 ( -6.039 -11.944 -7.281) 15.236 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -14.777 15.807 3.060) 21.853 1.994 ( -13.811 8.524 15.228) 22.256 2.588 ( -2.504 1.337 2.530) 3.802 2.766 ( 1.963 11.215 10.325) 15.370 2.898 ( -0.500 3.312 4.742) 5.805 3.481 ( -0.832 3.941 -0.283) 4.038 7.852 ( -3.326 -2.362 1.519) 4.353 8.024 ( -2.702 -1.352 -0.547) 3.070 8.768 ( 0.641 1.444 2.197) 2.706 8.865 ( -1.945 -0.298 2.093) 2.873 9.191 ( 2.546 2.368 0.624) 3.532 10.053 ( -14.911 -26.402 -18.281) 35.406 13.109 ( 0.520 -2.308 -2.617) 3.528 13.336 ( -1.300 -1.875 -1.568) 2.769 13.375 ( 1.571 0.118 0.157) 1.583 15.794 ( 2.332 -1.145 2.054) 3.312 16.014 ( 1.470 0.066 2.614) 3.000 16.181 ( 3.440 2.668 -1.529) 4.614 16.446 ( -5.462 1.678 -1.110) 5.820 17.071 ( 2.799 11.386 8.630) 14.558 21.676 ( -0.069 -1.122 -1.323) 1.736 23.933 ( 8.652 10.623 -4.126) 14.308 24.019 ( 5.255 3.327 13.196) 14.588 26.603 ( -7.130 -16.420 -10.667) 20.839 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -8.501 18.129 5.759) 20.835 1.936 ( -12.571 8.399 15.572) 21.704 2.633 ( 2.331 3.170 2.265) 4.540 2.875 ( -2.222 2.292 3.099) 4.449 2.989 ( 0.701 6.373 6.515) 9.141 3.555 ( 2.150 5.778 2.903) 6.814 7.796 ( -1.101 -3.034 0.933) 3.360 7.961 ( -1.541 -2.202 -1.508) 3.082 8.808 ( -0.652 0.766 0.982) 1.406 8.839 ( 1.143 -4.535 2.019) 5.094 9.235 ( -1.196 -1.621 1.950) 2.804 9.443 ( -8.355 -21.341 -20.746) 30.914 13.075 ( 0.359 -2.459 -2.579) 3.582 13.291 ( -0.030 -2.477 -1.713) 3.012 13.408 ( 1.384 0.578 -0.259) 1.522 15.834 ( 1.646 -0.500 2.975) 3.437 16.043 ( -0.226 1.078 1.343) 1.737 16.256 ( 2.241 2.639 -0.623) 3.518 16.364 ( -4.473 0.980 -1.125) 4.716 17.271 ( 0.046 11.922 9.372) 15.165 21.655 ( 0.114 -1.415 -1.569) 2.116 24.131 ( 5.903 5.513 1.839) 8.284 24.183 ( -0.781 6.790 6.391) 9.358 26.298 ( -0.553 -15.890 -10.379) 18.987 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -1.882 17.152 8.167) 19.090 1.993 ( -2.032 10.063 12.570) 16.229 2.713 ( 0.755 2.020 1.944) 2.903 2.857 ( -1.972 1.934 0.999) 2.937 3.080 ( -0.035 3.907 3.713) 5.390 3.662 ( 1.467 3.219 3.399) 4.905 7.765 ( 0.881 -3.356 -0.173) 3.474 7.920 ( 0.857 -2.093 -1.955) 2.990 8.646 ( 1.090 -23.502 -11.544) 26.207 8.887 ( 2.604 -0.041 2.940) 3.928 9.042 ( -3.753 -5.569 -1.250) 6.831 9.310 ( 1.419 2.115 -5.448) 6.014 13.042 ( 0.478 -2.305 -2.296) 3.289 13.260 ( 0.859 -2.931 -1.972) 3.636 13.425 ( 0.206 0.488 -0.501) 0.729 15.878 ( 0.686 0.170 4.009) 4.071 16.047 ( -2.142 2.339 1.187) 3.386 16.285 ( -0.205 2.301 -2.638) 3.506 16.313 ( -1.591 -0.090 0.623) 1.711 17.428 ( -2.766 12.013 9.255) 15.415 21.632 ( 0.237 -1.575 -1.680) 2.315 24.221 ( -4.034 5.986 2.963) 7.803 24.258 ( 1.487 3.358 3.771) 5.263 26.132 ( 4.491 -13.671 -9.332) 17.151 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 7.365 13.628 9.444) 18.143 2.193 ( 4.266 11.253 7.152) 13.999 2.698 ( -2.489 -1.516 0.984) 3.076 2.890 ( 0.751 3.794 0.757) 3.941 3.116 ( -1.820 2.754 2.305) 4.026 3.685 ( -1.298 -1.986 0.711) 2.477 7.756 ( 2.293 -3.491 -0.722) 4.239 7.926 ( 3.271 -1.821 -2.124) 4.304 8.390 ( 9.765 -24.655 -14.100) 30.033 8.942 ( 1.373 -0.133 2.391) 2.760 9.003 ( 0.035 -0.495 2.359) 2.410 9.318 ( 0.813 1.608 -3.905) 4.301 13.019 ( 0.856 -1.790 -1.744) 2.642 13.236 ( 1.210 -2.914 -2.016) 3.745 13.419 ( -0.897 0.344 -0.437) 1.056 15.893 ( -2.293 0.114 3.238) 3.969 16.037 ( -3.013 3.074 1.643) 4.607 16.282 ( -2.780 -0.599 1.609) 3.267 16.313 ( 3.594 2.392 -2.747) 5.117 17.528 ( -5.373 10.502 7.764) 14.122 21.611 ( 0.340 -1.512 -1.583) 2.215 24.268 ( 0.281 7.070 5.026) 8.679 24.291 ( -3.464 2.479 2.460) 4.919 26.013 ( 3.408 -13.318 -9.721) 16.836 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 4.598 7.923 7.936) 12.120 2.449 ( 11.371 9.982 2.185) 15.288 2.659 ( -0.586 -1.041 1.367) 1.815 2.935 ( 0.183 1.583 1.119) 1.947 3.105 ( -3.313 2.897 0.246) 4.408 3.600 ( -3.667 -4.912 -1.222) 6.251 7.767 ( 3.579 -3.627 -0.123) 5.097 7.923 ( 2.186 -5.971 -3.577) 7.295 8.370 ( 18.051 -10.979 -9.644) 23.225 8.960 ( -0.888 0.139 3.007) 3.138 9.030 ( 2.480 -2.018 1.206) 3.417 9.320 ( 1.549 0.124 -3.619) 3.939 13.015 ( 1.380 -1.048 -1.052) 2.027 13.219 ( 1.264 -2.216 -1.507) 2.963 13.398 ( -1.421 0.124 -0.310) 1.460 15.848 ( -4.363 -0.216 1.479) 4.612 16.035 ( -1.946 3.372 1.319) 4.111 16.224 ( -4.568 -0.249 1.426) 4.792 16.417 ( 6.619 2.020 -0.583) 6.945 17.544 ( -8.198 7.246 5.175) 12.103 21.596 ( 0.619 -1.180 -1.198) 1.792 24.219 ( -7.945 0.416 1.841) 8.167 24.467 ( 6.470 12.837 8.363) 16.632 25.839 ( 0.947 -15.575 -11.441) 19.349 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 0.346 2.317 0.815) 2.480 2.636 ( -0.784 -1.196 3.480) 3.763 2.760 ( 7.161 6.951 -0.390) 9.988 2.911 ( -2.971 -4.828 2.890) 6.363 3.134 ( 4.190 7.691 -2.093) 9.005 3.470 ( -5.745 -3.851 -0.408) 6.928 7.807 ( 4.871 -3.335 0.755) 5.951 7.861 ( 1.827 -6.787 -3.765) 7.973 8.601 ( 16.892 2.339 -4.839) 17.727 8.965 ( -1.289 0.430 3.937) 4.165 9.051 ( 2.746 -3.163 -0.152) 4.191 9.337 ( 5.224 -2.903 -3.361) 6.857 13.031 ( 1.773 -0.395 -0.441) 1.869 13.219 ( 1.397 -0.807 -0.547) 1.703 13.373 ( -1.143 -0.300 -0.268) 1.212 15.772 ( -4.744 -0.113 0.230) 4.751 16.055 ( -0.032 2.891 0.298) 2.906 16.147 ( -5.291 0.216 1.197) 5.429 16.552 ( 6.774 1.444 0.516) 6.945 17.458 ( -10.788 3.232 2.470) 11.529 21.595 ( 1.113 -0.652 -0.593) 1.420 24.063 ( -10.547 -0.575 -0.324) 10.567 24.826 ( 5.993 19.686 14.231) 25.019 25.604 ( 3.839 -20.253 -14.243) 25.056 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -3.008 0.076 -0.780) 3.109 2.557 ( -3.566 -5.482 0.579) 6.565 2.810 ( -2.483 1.315 -1.123) 3.026 2.881 ( -1.618 2.581 1.205) 3.276 3.306 ( -4.950 -5.666 -2.629) 7.970 3.347 ( 5.703 8.674 2.731) 10.734 7.819 ( 1.862 -3.282 -2.102) 4.319 7.880 ( 5.454 -2.055 2.016) 6.167 8.815 ( 4.425 4.477 -2.384) 6.731 8.965 ( -2.518 0.164 2.197) 3.345 9.101 ( 3.697 3.016 0.714) 4.825 9.442 ( 15.725 -5.436 -0.467) 16.645 13.058 ( 1.840 -0.111 -0.087) 1.846 13.249 ( 2.032 1.096 0.387) 2.341 13.353 ( -0.319 -0.933 -0.143) 0.997 15.696 ( -4.101 0.533 -0.722) 4.198 16.050 ( -3.289 -1.771 -0.466) 3.765 16.105 ( -0.427 3.939 0.175) 3.966 16.671 ( 5.319 0.814 0.211) 5.385 17.282 ( -12.289 -0.338 0.768) 12.317 21.613 ( 1.587 -0.129 0.003) 1.592 23.861 ( -10.574 -1.346 -1.869) 10.822 25.003 ( -14.187 4.801 3.409) 15.361 25.607 ( 24.308 -4.674 -1.723) 24.813 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -11.269 -2.705 -0.418) 11.596 2.537 ( 1.687 -0.511 1.081) 2.068 2.783 ( -2.037 1.444 0.169) 2.502 2.841 ( -6.545 3.902 -1.679) 7.802 3.072 ( -11.917 -6.115 -2.271) 13.585 3.547 ( 5.738 4.622 2.110) 7.664 7.834 ( 1.489 1.371 0.554) 2.098 7.978 ( 5.371 -0.456 2.944) 6.142 8.836 ( -1.326 -0.752 -1.504) 2.141 8.920 ( -3.102 0.105 1.488) 3.442 9.169 ( 0.059 3.151 -1.061) 3.325 9.778 ( 20.809 3.259 5.586) 21.791 13.087 ( 1.829 -0.159 -0.216) 1.849 13.317 ( 3.060 2.845 1.205) 4.348 13.341 ( 0.366 -1.607 0.223) 1.663 15.640 ( -2.520 1.310 -1.559) 3.240 15.963 ( -3.851 -1.928 -0.966) 4.413 16.146 ( 1.417 2.327 -1.176) 2.968 16.742 ( 2.524 0.695 -1.995) 3.291 17.062 ( -11.913 -2.720 1.356) 12.294 21.644 ( 1.746 0.200 0.357) 1.793 23.670 ( -7.945 -1.762 -2.356) 8.472 24.676 ( -13.840 -11.192 -8.047) 19.534 26.103 ( 22.214 10.294 9.475) 26.252 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -11.669 2.521 1.921) 12.092 2.542 ( -5.918 1.293 4.091) 7.310 2.723 ( -9.480 4.222 -5.395) 11.696 2.780 ( -0.426 -1.023 -1.239) 1.662 2.783 ( -9.780 -4.092 0.258) 10.604 3.650 ( 0.484 2.408 2.512) 3.513 7.896 ( 0.673 4.590 2.708) 5.371 8.082 ( 3.327 1.325 3.412) 4.947 8.764 ( -2.580 -2.847 -1.615) 4.167 8.897 ( -2.084 1.019 2.109) 3.135 9.163 ( -0.932 -0.618 -1.215) 1.651 10.219 ( 16.919 9.345 8.076) 20.948 13.114 ( 1.958 -0.382 -0.848) 2.168 13.334 ( 0.525 -2.107 0.704) 2.283 13.417 ( 3.399 3.509 1.912) 5.246 15.617 ( -0.470 1.291 -1.793) 2.259 15.877 ( -2.481 -1.893 -1.982) 3.697 16.177 ( 1.372 0.644 -1.581) 2.190 16.728 ( -2.529 1.608 -7.120) 7.725 16.875 ( -8.020 -3.467 5.886) 10.535 21.677 ( 1.453 0.251 0.370) 1.520 23.540 ( -3.388 -1.590 -1.926) 4.209 24.272 ( -11.079 -13.644 -10.094) 20.268 26.610 ( 16.444 10.661 9.835) 21.926 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -10.638 8.928 5.230) 14.840 2.374 ( -17.495 4.031 1.402) 18.008 2.488 ( -9.974 -3.144 0.466) 10.468 2.717 ( -1.662 3.043 -0.110) 3.469 2.800 ( 0.224 1.273 0.824) 1.533 3.650 ( -3.951 1.088 2.068) 4.591 7.966 ( -0.926 5.033 3.663) 6.293 8.139 ( -1.345 1.855 2.555) 3.432 8.708 ( 0.237 -1.952 -0.696) 2.086 8.889 ( -1.855 1.326 2.113) 3.109 9.121 ( -1.302 -2.383 -0.353) 2.739 10.600 ( 11.020 7.971 5.942) 14.842 13.134 ( 1.983 -0.754 -1.626) 2.673 13.326 ( 0.441 -2.246 1.057) 2.521 13.504 ( 1.469 2.053 1.473) 2.923 15.622 ( 1.341 -0.490 -0.108) 1.432 15.832 ( 0.600 0.210 -2.933) 3.001 16.182 ( 0.666 -1.080 -1.498) 1.963 16.630 ( -4.471 2.680 -5.586) 7.641 16.788 ( -5.145 -1.074 5.456) 7.576 21.700 ( 0.826 0.038 0.073) 0.830 23.504 ( 1.628 -0.322 -1.630) 2.326 23.932 ( -7.009 -10.511 -7.342) 14.612 26.967 ( 9.258 5.317 5.828) 12.163 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -11.574 9.323 2.188) 15.022 2.272 ( -7.424 1.234 5.044) 9.060 2.565 ( 3.907 7.308 5.113) 9.737 2.826 ( -0.888 2.485 3.287) 4.215 2.890 ( -0.203 2.696 2.583) 3.739 3.616 ( -6.312 1.187 1.120) 6.520 8.013 ( -5.136 -1.349 -0.085) 5.311 8.128 ( -3.545 -1.866 -0.894) 4.105 8.733 ( 1.950 1.062 1.322) 2.584 8.940 ( -1.204 1.089 1.254) 2.051 9.101 ( 1.548 0.892 1.891) 2.602 10.525 ( -10.453 -14.334 -11.304) 21.036 13.094 ( 0.434 -1.024 -1.499) 1.866 13.313 ( 0.965 -0.513 0.760) 1.331 13.448 ( -3.837 -2.573 -1.711) 4.926 15.677 ( 3.856 -0.848 2.808) 4.845 15.896 ( 4.778 2.358 -0.085) 5.329 16.123 ( -0.212 -0.716 0.150) 0.761 16.612 ( -3.363 1.898 -0.167) 3.865 16.936 ( 3.344 7.116 4.225) 8.926 21.685 ( -0.350 -0.827 -0.899) 1.270 23.621 ( 8.170 6.172 -2.696) 10.588 23.824 ( 4.758 3.677 9.254) 11.036 26.888 ( -7.425 -10.781 -7.175) 14.928 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -13.802 9.829 3.465) 17.295 2.298 ( -2.602 6.320 7.584) 10.209 2.671 ( -3.939 4.421 2.777) 6.541 2.863 ( 0.741 2.625 4.832) 5.549 2.962 ( 1.631 4.050 4.845) 6.521 3.553 ( -3.055 2.556 1.021) 4.112 7.902 ( -4.866 -2.376 -0.540) 5.442 8.033 ( -2.664 -4.329 -2.125) 5.509 8.782 ( 1.066 1.463 2.165) 2.822 8.923 ( -2.843 0.263 1.815) 3.383 9.169 ( 2.986 1.961 1.219) 3.775 9.977 ( -18.682 -23.073 -18.047) 34.743 13.074 ( -0.184 -1.370 -1.666) 2.165 13.332 ( -0.112 -0.905 -0.245) 0.944 13.357 ( -1.075 -1.481 -1.010) 2.090 15.748 ( 3.410 -0.712 1.821) 3.931 15.996 ( 3.227 0.714 2.379) 4.072 16.142 ( 2.509 1.643 -0.313) 3.015 16.551 ( -5.355 1.801 -0.613) 5.683 17.143 ( 6.441 9.112 6.337) 12.832 21.660 ( -0.448 -1.224 -1.333) 1.864 23.834 ( 10.253 5.843 -0.247) 11.804 24.070 ( 6.372 10.137 11.641) 16.700 26.520 ( -10.831 -16.590 -11.625) 22.971 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -8.755 12.237 5.516) 16.026 2.324 ( -10.809 7.527 10.345) 16.749 2.650 ( -0.912 3.528 1.275) 3.861 2.924 ( 0.341 0.031 3.121) 3.140 3.046 ( 0.808 2.958 2.332) 3.852 3.592 ( 1.876 3.833 2.677) 5.038 7.803 ( -3.139 -2.967 -0.638) 4.367 7.935 ( -1.191 -5.200 -2.643) 5.953 8.810 ( -3.019 -6.100 1.420) 6.952 8.853 ( -3.827 0.496 0.309) 3.872 9.240 ( 1.771 1.260 0.847) 2.333 9.324 ( -14.026 -17.501 -17.015) 28.152 13.042 ( -0.473 -1.541 -1.745) 2.376 13.271 ( -1.593 -2.287 -1.628) 3.228 13.383 ( 1.963 0.359 0.106) 1.998 15.807 ( 2.867 -0.221 1.876) 3.434 16.048 ( 1.263 0.300 1.832) 2.245 16.224 ( 3.928 2.407 -0.191) 4.611 16.463 ( -6.120 1.224 -0.831) 6.296 17.386 ( 5.468 9.344 7.291) 13.052 21.631 ( -0.256 -1.445 -1.526) 2.117 24.062 ( 9.293 4.150 2.611) 10.506 24.319 ( 0.593 11.131 8.651) 14.110 26.116 ( -5.627 -17.043 -12.096) 21.644 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -4.295 14.155 5.905) 15.927 2.256 ( -10.331 5.609 11.212) 16.245 2.729 ( 2.249 4.704 1.326) 5.380 2.901 ( -2.403 -1.413 0.041) 2.788 3.100 ( 2.010 1.583 1.001) 2.747 3.676 ( 1.946 0.955 2.010) 2.956 7.730 ( -1.145 -3.128 -1.088) 3.504 7.863 ( 0.721 -4.824 -2.440) 5.454 8.410 ( -12.375 -21.893 -11.725) 27.748 8.887 ( 0.937 1.853 2.137) 2.980 9.063 ( -2.547 -1.305 -1.959) 3.469 9.292 ( 1.445 1.652 -0.878) 2.364 13.008 ( -0.312 -1.485 -1.621) 2.220 13.221 ( -0.526 -2.177 -1.570) 2.735 13.415 ( 1.204 0.365 -0.146) 1.267 15.871 ( 2.752 0.252 2.659) 3.835 16.079 ( 0.718 1.318 0.421) 1.559 16.296 ( 1.726 1.915 -0.348) 2.601 16.364 ( -5.222 0.004 -0.518) 5.248 17.593 ( 2.422 8.909 7.115) 11.656 21.604 ( -0.010 -1.444 -1.481) 2.068 24.250 ( 5.877 2.868 3.452) 7.395 24.386 ( -6.724 6.320 3.703) 9.943 25.885 ( 3.122 -12.115 -8.769) 15.278 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -1.182 12.244 5.279) 13.386 2.295 ( 0.323 5.962 8.932) 10.744 2.741 ( -3.605 -0.862 -0.748) 3.782 2.901 ( 1.951 2.429 0.561) 3.166 3.150 ( 1.062 1.312 0.736) 1.841 3.680 ( -0.721 -3.145 -0.430) 3.256 7.690 ( 0.869 -2.228 -2.084) 3.172 7.843 ( 3.855 -3.520 -1.573) 5.452 7.999 ( -2.934 -18.114 -9.816) 20.810 8.931 ( 1.132 0.732 1.585) 2.081 9.037 ( -1.015 0.682 0.921) 1.531 9.314 ( 0.269 1.237 -1.030) 1.632 12.984 ( 0.233 -1.170 -1.227) 1.711 13.189 ( 0.236 -1.796 -1.319) 2.241 13.428 ( 0.068 0.259 -0.219) 0.346 15.926 ( 0.788 0.149 2.371) 2.503 16.103 ( -0.479 1.810 0.676) 1.991 16.283 ( -1.372 0.590 -1.499) 2.116 16.328 ( -0.674 0.516 0.588) 1.033 17.726 ( -1.460 7.389 5.682) 9.435 21.583 ( 0.153 -1.186 -1.207) 1.699 24.347 ( -2.551 3.537 1.472) 4.603 24.352 ( 0.658 1.497 2.845) 3.281 25.808 ( 3.045 -8.012 -6.088) 10.513 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 6.963 6.205 4.933) 10.551 2.427 ( 2.411 5.568 0.683) 6.105 2.680 ( -0.759 0.018 1.822) 1.974 2.944 ( 0.067 0.049 0.414) 0.422 3.158 ( -1.478 0.658 -0.804) 1.807 3.611 ( -2.474 -2.862 -0.540) 3.821 7.686 ( 2.216 -1.430 -2.108) 3.376 7.806 ( 0.710 -8.369 -4.217) 9.398 7.949 ( 14.137 -3.460 -1.655) 14.648 8.957 ( 0.965 -0.654 0.968) 1.515 9.036 ( -0.829 0.631 1.187) 1.579 9.313 ( -0.633 0.709 -1.169) 1.507 12.979 ( 0.984 -0.664 -0.670) 1.363 13.177 ( 0.829 -1.071 -0.756) 1.551 13.420 ( -0.988 0.118 -0.181) 1.011 15.917 ( -2.856 -0.023 0.344) 2.876 16.096 ( -2.087 0.452 1.549) 2.638 16.301 ( -1.986 -0.016 1.869) 2.727 16.329 ( 4.179 2.139 -1.709) 4.996 17.755 ( -5.611 4.568 3.224) 7.921 21.571 ( 0.332 -0.713 -0.727) 1.071 24.341 ( -4.550 0.358 0.891) 4.651 24.444 ( 8.476 4.634 3.126) 10.153 25.702 ( -3.106 -7.003 -5.279) 9.303 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 0.676 -2.913 -2.396) 3.832 2.591 ( 9.661 2.490 0.042) 9.976 2.758 ( 1.598 6.340 4.016) 7.673 2.900 ( -1.307 -5.937 0.396) 6.092 3.123 ( -0.412 1.374 -3.519) 3.800 3.553 ( -4.121 1.083 1.727) 4.598 7.710 ( 3.441 -1.633 -0.821) 3.897 7.760 ( 1.985 -2.973 -1.069) 3.731 8.257 ( 21.733 3.745 0.320) 22.056 8.967 ( 1.315 -2.197 0.938) 2.727 9.032 ( -1.159 0.400 1.074) 1.630 9.293 ( -0.961 -0.062 -1.395) 1.695 12.995 ( 1.629 -0.170 -0.175) 1.648 13.188 ( 1.418 -0.059 0.038) 1.419 13.396 ( -1.655 -0.077 -0.173) 1.666 15.849 ( -4.377 -0.199 -0.577) 4.419 16.078 ( -1.043 0.197 0.457) 1.156 16.249 ( -4.606 0.584 1.100) 4.772 16.449 ( 6.974 1.259 0.262) 7.091 17.668 ( -9.291 1.160 0.656) 9.386 21.573 ( 0.699 -0.134 -0.120) 0.722 24.221 ( -8.954 -0.725 -1.132) 9.055 24.765 ( 19.733 4.829 4.074) 20.719 25.491 ( -10.414 -5.188 -3.673) 12.201 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 3.093 -3.538 -3.337) 5.763 2.604 ( -5.524 -5.366 -0.284) 7.706 2.864 ( -1.206 3.629 -0.214) 3.830 2.873 ( 4.880 -0.964 1.504) 5.196 3.164 ( 6.226 -0.346 -4.183) 7.509 3.499 ( -5.979 3.738 2.606) 7.517 7.758 ( 2.960 0.832 0.466) 3.110 7.798 ( 3.945 -0.212 1.611) 4.266 8.699 ( 16.919 9.399 -0.089) 19.355 8.988 ( 3.201 -2.543 -0.766) 4.159 9.041 ( 2.657 1.554 6.471) 7.166 9.268 ( 0.775 -1.505 -1.373) 2.180 13.025 ( 1.857 0.078 0.109) 1.862 13.226 ( 2.171 1.164 0.766) 2.580 13.363 ( -1.622 -0.346 -0.224) 1.674 15.768 ( -4.359 0.106 -0.803) 4.434 16.063 ( -0.952 -0.328 -1.017) 1.431 16.181 ( -4.292 0.849 0.450) 4.398 16.577 ( 6.483 0.235 0.549) 6.510 17.481 ( -11.674 -1.821 -0.986) 11.856 21.591 ( 1.168 0.369 0.428) 1.298 24.022 ( -11.189 -1.618 -2.481) 11.575 25.018 ( 4.870 -19.204 -12.972) 23.681 25.422 ( 5.777 19.599 14.648) 25.141 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -3.252 -2.653 -1.428) 4.434 2.462 ( 1.231 -3.967 -0.969) 4.266 2.845 ( -2.839 1.946 -0.869) 3.550 2.925 ( -0.403 0.441 0.610) 0.853 3.129 ( -4.299 -6.951 -5.222) 9.699 3.534 ( 2.709 6.145 2.215) 7.072 7.839 ( 2.259 4.566 2.241) 5.565 7.901 ( 5.885 0.644 3.056) 6.662 8.835 ( -0.230 0.175 -2.041) 2.062 8.972 ( -1.644 -0.036 -0.076) 1.647 9.190 ( -0.761 1.322 -0.775) 1.711 9.511 ( 23.281 9.109 10.771) 27.222 13.057 ( 1.598 0.016 0.129) 1.603 13.296 ( 3.186 2.425 1.157) 4.167 13.335 ( -0.873 -0.661 -0.107) 1.100 15.696 ( -3.716 0.733 -1.160) 3.962 16.005 ( -3.816 -1.609 -1.345) 4.355 16.146 ( -0.606 1.042 -1.190) 1.694 16.673 ( 4.652 -0.383 -0.493) 4.694 17.240 ( -12.012 -3.723 -0.909) 12.609 21.623 ( 1.470 0.639 0.722) 1.758 23.795 ( -10.609 -2.218 -2.668) 11.162 24.653 ( -9.362 -18.598 -13.146) 24.624 25.972 ( 18.703 18.310 14.292) 29.822 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -7.047 0.186 0.891) 7.105 2.533 ( 6.713 -0.323 -0.964) 6.790 2.792 ( -3.760 -2.704 -1.953) 5.026 2.877 ( -5.962 0.688 0.181) 6.004 2.894 ( -8.924 -4.436 -3.712) 10.635 3.661 ( 3.455 3.807 1.537) 5.366 7.945 ( 1.866 5.640 3.124) 6.712 8.042 ( 5.891 2.319 3.873) 7.422 8.777 ( -2.944 -2.277 -1.899) 4.178 8.948 ( -1.710 0.449 0.988) 2.025 9.160 ( -0.950 -1.323 -1.627) 2.302 10.087 ( 19.458 13.826 11.833) 26.642 13.080 ( 1.243 -0.184 -0.192) 1.271 13.317 ( -0.098 -0.984 -0.003) 0.989 13.398 ( 3.983 3.201 1.631) 5.363 15.642 ( -2.453 0.948 -1.622) 3.090 15.903 ( -4.237 -2.255 -1.595) 5.058 16.149 ( 0.949 0.411 -1.949) 2.207 16.712 ( 1.233 -0.032 -3.194) 3.424 17.014 ( -9.286 -4.106 1.616) 10.281 21.659 ( 1.388 0.609 0.672) 1.658 23.601 ( -7.296 -2.344 -1.796) 7.871 24.229 ( -9.684 -15.738 -11.943) 22.002 26.524 ( 16.052 14.142 11.392) 24.237 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -4.857 5.316 2.542) 7.636 2.571 ( -7.093 -7.607 -3.694) 11.038 2.608 ( -3.126 1.100 1.886) 3.813 2.775 ( -4.375 1.865 -0.558) 4.788 2.818 ( -1.008 1.631 -0.011) 1.917 3.724 ( -0.785 2.032 1.630) 2.720 8.040 ( 0.605 4.540 2.924) 5.434 8.171 ( 2.521 2.711 3.113) 4.837 8.695 ( -1.916 -2.020 -1.245) 3.050 8.935 ( -1.204 0.460 1.312) 1.839 9.118 ( -1.080 -1.837 -0.821) 2.283 10.541 ( 11.307 9.800 7.662) 16.810 13.094 ( 1.089 -0.404 -0.725) 1.369 13.309 ( 0.182 -1.167 0.396) 1.245 13.499 ( 2.716 2.295 1.314) 3.791 15.610 ( -0.730 -0.111 -0.992) 1.236 15.819 ( -1.570 -1.028 -1.850) 2.635 16.153 ( 0.671 -0.520 -1.496) 1.720 16.674 ( -2.295 1.000 -4.403) 5.065 16.887 ( -4.430 -2.044 3.826) 6.200 21.687 ( 0.883 0.278 0.302) 0.974 23.491 ( -2.135 -1.439 -0.907) 2.730 23.894 ( -6.214 -9.848 -7.879) 14.060 26.910 ( 9.181 7.133 6.248) 13.199 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 1.169 -1.355 0.487) 1.855 2.477 ( -8.602 4.103 1.612) 9.666 2.610 ( 3.469 6.308 4.266) 8.368 2.839 ( 2.114 0.534 1.982) 2.947 2.884 ( 4.272 0.872 -0.268) 4.368 3.718 ( -3.983 -0.982 0.333) 4.115 8.062 ( -2.927 -2.390 -1.668) 4.131 8.156 ( -4.438 -3.414 -2.581) 6.165 8.712 ( 2.992 1.698 1.476) 3.744 8.956 ( 0.539 0.289 0.095) 0.618 9.108 ( 0.553 1.304 1.567) 2.112 10.512 ( -11.262 -11.904 -9.839) 19.114 13.080 ( -0.242 -0.190 -0.384) 0.492 13.304 ( 0.304 0.130 0.312) 0.455 13.477 ( -3.618 -2.566 -1.424) 4.658 15.630 ( 2.667 -0.374 2.060) 3.391 15.843 ( 3.825 2.056 0.445) 4.365 16.131 ( -0.655 -0.294 1.203) 1.401 16.667 ( -0.715 0.821 1.935) 2.220 16.942 ( 4.002 4.174 0.105) 5.784 21.681 ( -0.668 -0.614 -0.631) 1.105 23.535 ( 5.856 3.188 -0.250) 6.672 23.852 ( 5.317 7.589 8.090) 12.300 26.880 ( -8.537 -9.064 -6.739) 14.158 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -3.277 1.410 1.656) 3.933 2.351 ( -3.642 5.160 2.710) 6.873 2.789 ( 2.054 7.131 3.331) 8.134 2.895 ( 0.020 1.447 2.619) 2.993 2.966 ( 4.483 1.916 3.050) 5.751 3.627 ( -4.273 -1.785 0.145) 4.633 7.957 ( -4.644 -2.444 -2.136) 5.666 8.012 ( -3.948 -5.882 -3.657) 7.973 8.787 ( 1.934 1.722 2.043) 3.299 8.966 ( -0.257 0.254 0.735) 0.819 9.154 ( 1.767 1.676 1.785) 3.019 9.995 ( -20.312 -18.556 -15.689) 31.671 13.066 ( -0.747 -0.435 -0.672) 1.095 13.319 ( 0.939 0.185 0.494) 1.077 13.371 ( -3.690 -2.780 -1.693) 4.920 15.692 ( 3.538 -0.700 1.673) 3.975 15.951 ( 4.787 1.943 1.529) 5.388 16.132 ( 0.234 0.187 1.414) 1.445 16.647 ( -3.901 1.284 0.644) 4.157 17.117 ( 8.735 6.236 2.676) 11.061 21.653 ( -0.971 -1.007 -1.060) 1.756 23.710 ( 9.817 3.629 1.293) 10.545 24.149 ( 7.810 14.242 11.922) 20.148 26.494 ( -13.934 -15.975 -11.880) 24.300 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( -7.775 6.057 4.309) 10.757 2.473 ( 4.078 5.554 2.577) 7.357 2.812 ( -8.043 5.502 1.073) 9.803 2.911 ( 1.697 -2.116 3.071) 4.098 3.075 ( 0.387 2.415 3.414) 4.200 3.583 ( 1.697 -1.382 -0.085) 2.190 7.838 ( -4.943 -2.007 -2.202) 5.772 7.878 ( -1.680 -6.347 -3.191) 7.300 8.822 ( -1.243 -2.078 2.313) 3.349 8.945 ( -4.296 0.177 1.340) 4.503 9.214 ( 2.292 0.713 0.455) 2.443 9.343 ( -19.439 -14.539 -15.278) 28.683 13.038 ( -1.245 -0.647 -0.802) 1.617 13.276 ( -2.678 -2.235 -1.385) 3.753 13.354 ( 1.854 0.298 0.231) 1.892 15.758 ( 3.706 -0.322 1.244) 3.923 16.035 ( 2.133 0.418 1.952) 2.921 16.176 ( 3.471 1.215 0.373) 3.697 16.574 ( -5.920 1.075 -0.456) 6.034 17.366 ( 9.891 6.158 4.147) 12.367 21.618 ( -0.870 -1.135 -1.189) 1.860 23.939 ( 11.066 3.029 2.830) 11.817 24.494 ( 3.405 16.613 11.925) 20.731 25.997 ( -11.596 -18.941 -14.051) 26.280 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -3.407 7.792 5.317) 10.030 2.542 ( -8.030 3.977 4.888) 10.207 2.764 ( -0.473 6.198 0.724) 6.258 2.906 ( -1.228 -3.971 -0.417) 4.177 3.090 ( 0.143 0.433 1.773) 1.831 3.626 ( 3.924 -2.038 -0.727) 4.481 7.731 ( -3.173 -2.322 -1.911) 4.371 7.789 ( -0.597 -4.537 -1.961) 4.979 8.481 ( -21.657 -14.133 -6.417) 26.644 8.916 ( -0.718 2.682 0.946) 2.933 9.066 ( -1.073 -1.065 -3.146) 3.490 9.273 ( 1.959 0.842 0.544) 2.201 13.004 ( -1.284 -0.662 -0.757) 1.631 13.213 ( -1.620 -1.574 -1.142) 2.531 13.391 ( 1.854 0.256 0.095) 1.874 15.830 ( 3.796 0.179 1.497) 4.084 16.072 ( 1.177 0.457 0.634) 1.413 16.256 ( 4.011 0.893 -0.216) 4.115 16.467 ( -6.728 0.101 -0.616) 6.757 17.606 ( 8.162 4.951 3.976) 10.341 21.588 ( -0.535 -0.982 -1.003) 1.502 24.164 ( 9.440 2.178 3.048) 10.156 24.649 ( -10.524 10.582 6.782) 16.393 25.655 ( 2.307 -13.298 -9.905) 16.741 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -1.708 8.283 2.710) 8.881 2.426 ( -7.256 -0.338 6.296) 9.613 2.785 ( -4.535 -2.836 -3.402) 6.339 2.885 ( 3.550 4.083 0.549) 5.438 3.134 ( 2.261 0.477 1.918) 3.003 3.636 ( 1.378 -3.291 -1.771) 3.983 7.664 ( -1.467 -1.391 -0.951) 2.234 7.739 ( 0.181 -3.207 -0.896) 3.335 8.009 ( -14.523 -6.947 -4.559) 16.732 8.939 ( 0.038 1.392 0.710) 1.564 9.051 ( 0.064 0.088 -0.363) 0.379 9.308 ( 1.116 0.388 0.180) 1.195 12.976 ( -0.805 -0.419 -0.479) 1.026 13.175 ( -0.754 -0.827 -0.643) 1.291 13.419 ( 1.085 0.131 -0.004) 1.093 15.905 ( 3.176 0.185 1.643) 3.581 16.102 ( 1.556 1.127 -0.803) 2.083 16.315 ( 1.860 0.680 -0.850) 2.155 16.350 ( -5.437 -1.205 0.331) 5.579 17.778 ( 4.595 2.825 2.441) 5.921 21.569 ( -0.202 -0.568 -0.565) 0.826 24.326 ( 5.406 1.149 1.920) 5.851 24.499 ( -11.972 1.471 0.475) 12.072 25.644 ( 6.694 -3.382 -2.725) 7.979 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 -0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.834 ( -0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 9.052 ( -0.000 0.000 0.000) 0.000 9.320 ( 0.000 0.000 0.000) 0.000 12.965 ( -0.000 0.000 0.000) 0.000 13.162 ( -0.000 0.000 0.000) 0.000 13.429 ( -0.000 0.000 0.000) 0.000 15.943 ( 0.000 0.000 0.000) 0.000 16.127 ( -0.000 0.000 0.000) 0.000 16.278 ( -0.000 0.000 0.000) 0.000 16.339 ( -0.000 0.000 0.000) 0.000 17.840 ( -0.000 0.000 0.000) 0.000 21.562 ( -0.000 0.000 0.000) 0.000 24.386 ( -0.000 0.000 0.000) 0.000 24.393 ( 0.000 0.000 0.000) 0.000 25.685 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -0.000 0.000 27.692) 27.692 0.557 ( -0.000 0.000 27.692) 27.692 0.929 ( -0.000 0.000 46.055) 46.055 2.661 ( -0.000 0.000 1.139) 1.139 2.661 ( -0.000 0.000 1.139) 1.139 3.386 ( 0.000 -0.000 -1.036) 1.036 7.869 ( -0.000 0.000 1.563) 1.563 7.869 ( -0.000 0.000 1.563) 1.563 8.796 ( -0.000 0.000 1.097) 1.097 8.796 ( -0.000 0.000 1.097) 1.097 8.961 ( -0.000 0.000 0.963) 0.963 11.466 ( 0.000 -0.000 -2.981) 2.981 13.338 ( -0.000 0.000 0.125) 0.125 13.398 ( 0.000 -0.000 -0.602) 0.602 13.398 ( 0.000 -0.000 -0.602) 0.602 15.968 ( 0.000 -0.000 -1.746) 1.746 15.968 ( 0.000 -0.000 -1.746) 1.746 15.979 ( 0.000 -0.000 -0.346) 0.346 16.349 ( -0.000 0.000 2.390) 2.390 16.349 ( -0.000 0.000 2.390) 2.390 21.712 ( 0.000 -0.000 -0.177) 0.177 23.681 ( 0.000 -0.000 -1.168) 1.168 23.681 ( 0.000 -0.000 -1.168) 1.168 27.442 ( 0.000 -0.000 -0.491) 0.491 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 5.146 8.192 19.326) 21.613 1.006 ( 18.559 -0.551 24.953) 31.103 1.462 ( 14.327 12.633 36.711) 41.383 2.654 ( -1.254 0.379 1.042) 1.674 2.699 ( 2.121 0.358 2.118) 3.019 3.391 ( 0.955 0.900 -1.358) 1.888 7.855 ( -1.299 -0.200 5.450) 5.606 7.898 ( 1.945 0.365 2.023) 2.830 8.749 ( -1.991 -0.480 4.457) 4.905 8.793 ( -0.181 -0.536 0.957) 1.111 9.081 ( 4.475 2.884 -3.159) 6.190 11.166 ( -14.681 -8.135 1.069) 16.818 13.298 ( -2.404 -1.380 -0.705) 2.860 13.397 ( -0.186 0.114 -0.491) 0.537 13.404 ( -0.775 3.003 -0.735) 3.187 15.869 ( -2.029 -2.590 0.489) 3.326 15.968 ( 1.953 -3.949 -0.623) 4.450 16.111 ( 3.736 4.468 -6.328) 8.601 16.360 ( 1.169 1.129 1.587) 2.272 16.445 ( 5.016 0.801 4.564) 6.829 21.711 ( -0.001 0.043 -0.328) 0.331 23.621 ( -0.622 -2.176 -3.650) 4.295 23.873 ( 7.341 5.279 -0.233) 9.046 27.299 ( -8.255 -2.784 -0.272) 8.716 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 17.991 13.980 8.383) 24.278 1.481 ( 19.375 -0.219 21.011) 28.581 2.037 ( 13.832 10.119 26.601) 31.644 2.645 ( -1.552 1.722 1.473) 2.747 2.759 ( 2.600 -0.075 3.058) 4.014 3.418 ( 1.507 2.377 -1.559) 3.218 7.895 ( 0.765 1.526 4.643) 4.946 7.966 ( 3.347 0.862 2.358) 4.184 8.761 ( -1.296 1.527 3.005) 3.611 8.803 ( 1.785 -0.782 1.674) 2.569 9.122 ( 0.578 0.736 -0.932) 1.321 10.903 ( -8.035 -3.748 -6.415) 10.944 13.231 ( -2.986 -1.033 -1.581) 3.533 13.384 ( -1.271 0.268 -0.119) 1.305 13.423 ( -0.265 3.811 -1.314) 4.040 15.815 ( -1.057 -3.561 -0.267) 3.724 15.945 ( 0.777 -5.150 -0.016) 5.208 16.142 ( 0.451 3.050 -4.038) 5.080 16.416 ( 2.477 1.391 1.914) 3.425 16.584 ( 6.733 -0.222 5.379) 8.620 21.707 ( -0.131 0.083 -0.647) 0.666 23.571 ( 0.454 -2.043 -4.638) 5.088 23.976 ( -0.855 0.357 8.108) 8.160 27.149 ( -5.607 0.372 -6.115) 8.305 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 18.870 13.415 5.579) 23.815 1.923 ( 16.482 2.189 16.192) 23.208 2.411 ( 6.941 -0.089 11.955) 13.824 2.690 ( 1.611 4.702 5.589) 7.480 2.820 ( 2.058 -0.241 3.994) 4.499 3.477 ( 2.706 4.591 -0.741) 5.380 7.959 ( 1.597 2.520 2.359) 3.803 8.052 ( 3.573 1.380 1.874) 4.265 8.759 ( -1.517 0.159 1.796) 2.357 8.860 ( 2.780 0.592 2.218) 3.605 9.120 ( -0.804 -0.072 0.789) 1.129 10.720 ( -3.779 -0.828 -12.073) 12.677 13.161 ( -2.668 -0.751 -1.713) 3.258 13.360 ( -1.645 0.097 -0.079) 1.650 13.449 ( 0.095 3.723 -1.811) 4.141 15.760 ( -1.135 -3.563 -0.041) 3.740 15.895 ( -0.114 -5.787 -0.100) 5.789 16.147 ( -0.757 2.399 -1.502) 2.929 16.496 ( 3.547 1.352 2.404) 4.493 16.727 ( 6.223 -0.600 4.682) 7.811 21.699 ( -0.273 0.114 -1.010) 1.053 23.537 ( 0.914 -1.620 -3.426) 3.898 23.977 ( -5.561 -2.600 13.118) 14.484 27.032 ( -3.145 2.138 -10.536) 11.201 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 14.831 8.068 6.088) 17.948 2.282 ( 9.456 7.735 9.240) 15.317 2.481 ( 1.578 -3.882 3.535) 5.483 2.798 ( 2.591 -1.126 4.498) 5.311 2.881 ( 0.892 0.256 5.135) 5.218 3.591 ( 4.427 5.422 0.239) 7.004 8.025 ( 1.947 2.837 -0.027) 3.441 8.131 ( 2.600 2.259 0.329) 3.460 8.739 ( -1.530 -1.417 1.842) 2.782 8.920 ( 2.016 0.326 1.255) 2.397 9.110 ( -0.937 -0.202 1.321) 1.633 10.599 ( -0.274 1.531 -15.174) 15.254 13.108 ( -1.644 -0.430 -1.302) 2.141 13.331 ( -1.454 -0.186 -0.304) 1.497 13.474 ( 0.458 3.013 -2.249) 3.787 15.708 ( -1.815 -2.616 1.368) 3.465 15.834 ( 0.028 -5.436 -0.341) 5.447 16.146 ( -0.914 1.294 0.089) 1.586 16.589 ( 3.487 1.054 3.569) 5.100 16.835 ( 3.996 -0.423 2.533) 4.750 21.689 ( -0.215 0.156 -1.235) 1.264 23.527 ( 0.362 -0.465 0.201) 0.622 23.922 ( -6.818 -4.357 13.736) 15.942 26.948 ( -0.610 2.892 -12.725) 13.064 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 5.837 1.102 5.144) 7.857 2.430 ( -0.311 2.111 0.325) 2.158 2.580 ( 5.074 5.497 6.376) 9.829 2.826 ( 0.810 -2.929 2.595) 3.996 2.889 ( -1.840 -2.662 3.441) 4.724 3.701 ( 3.462 2.420 -1.582) 4.511 8.074 ( 1.300 2.197 -1.768) 3.105 8.184 ( 0.967 3.051 -1.774) 3.659 8.706 ( -1.382 -2.437 1.970) 3.425 8.943 ( 0.521 -0.576 -0.496) 0.922 9.103 ( -0.402 -0.545 0.880) 1.111 10.541 ( 2.690 3.361 -16.288) 16.848 13.082 ( -0.365 0.017 -0.573) 0.680 13.304 ( -0.776 -0.513 -0.776) 1.212 13.493 ( 0.803 1.886 -2.510) 3.240 15.663 ( -2.507 -2.010 2.849) 4.295 15.798 ( 1.085 -3.074 0.039) 3.260 16.144 ( -0.377 0.054 0.800) 0.886 16.674 ( 2.059 0.110 5.229) 5.621 16.882 ( 0.848 0.094 -0.414) 0.948 21.681 ( 0.118 0.229 -1.208) 1.235 23.543 ( -1.566 1.848 5.510) 6.019 23.854 ( -4.607 -5.675 10.975) 13.187 26.902 ( 1.897 2.928 -13.151) 13.606 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -5.814 1.398 -1.124) 6.084 2.448 ( 2.478 -5.857 2.206) 6.731 2.675 ( -4.903 -0.315 4.353) 6.564 2.811 ( -0.927 -1.103 2.198) 2.628 2.853 ( -1.555 0.760 1.669) 2.405 3.719 ( 0.259 -1.588 -3.847) 4.170 8.079 ( -0.951 0.950 -2.773) 3.082 8.196 ( -0.705 1.877 -3.207) 3.782 8.681 ( -0.404 -1.282 1.554) 2.055 8.928 ( -0.375 -0.630 -2.031) 2.159 9.092 ( 0.005 -1.761 0.049) 1.762 10.537 ( 4.803 4.374 -16.420) 17.658 13.089 ( 0.857 0.570 0.303) 1.073 13.286 ( 0.189 -0.748 -1.300) 1.512 13.505 ( 0.911 0.764 -2.381) 2.661 15.624 ( -1.639 -2.007 2.539) 3.628 15.814 ( 1.376 0.459 1.699) 2.234 16.147 ( 0.544 -0.874 1.238) 1.610 16.722 ( -0.345 -1.345 6.238) 6.391 16.861 ( -2.278 0.526 -2.682) 3.558 21.682 ( 0.551 0.321 -0.962) 1.154 23.579 ( -4.344 5.065 10.308) 12.279 23.809 ( -0.151 -6.981 7.290) 10.095 26.896 ( 4.092 2.606 -12.564) 13.468 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -12.160 -2.031 -4.493) 13.122 2.387 ( -4.975 -6.500 -3.242) 8.804 2.514 ( -8.006 -8.351 6.124) 13.089 2.785 ( -3.089 -0.517 1.134) 3.331 2.847 ( -3.473 1.834 0.589) 3.972 3.648 ( -1.989 -3.341 -3.091) 4.967 8.022 ( -3.438 -0.438 -3.591) 4.991 8.154 ( -2.132 -0.665 -3.224) 3.922 8.693 ( 0.742 1.014 1.143) 1.699 8.897 ( -1.151 -0.010 -2.325) 2.594 9.072 ( 0.833 -2.722 -0.629) 2.915 10.567 ( 6.167 4.706 -16.597) 18.320 13.125 ( 1.851 1.089 1.040) 2.386 13.281 ( 1.178 -0.630 -1.531) 2.032 13.507 ( 0.581 -0.019 -1.861) 1.949 15.608 ( 0.357 -1.346 1.372) 1.955 15.865 ( 0.860 2.359 2.726) 3.706 16.165 ( 1.489 -1.057 1.870) 2.614 16.708 ( -3.150 -1.979 2.496) 4.480 16.792 ( -4.411 -0.356 0.140) 4.427 21.692 ( 0.787 0.370 -0.646) 1.083 23.631 ( -5.309 7.559 11.718) 14.921 23.806 ( 2.866 -7.645 5.857) 10.048 26.925 ( 5.681 2.376 -11.685) 13.208 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -17.304 -5.678 -7.250) 19.601 2.065 ( -16.147 -11.706 -5.773) 20.763 2.349 ( -11.005 -7.032 4.614) 13.851 2.705 ( -4.331 -2.469 1.197) 5.127 2.794 ( -2.488 -0.641 0.099) 2.571 3.570 ( -2.377 -2.309 -0.388) 3.336 7.916 ( -4.439 -1.694 -4.023) 6.226 8.080 ( -2.877 -1.590 -2.331) 4.030 8.725 ( 0.545 0.801 1.139) 1.495 8.855 ( -2.488 0.366 -1.456) 2.906 9.074 ( 2.618 -1.638 -0.290) 3.102 10.617 ( 7.180 4.842 -17.105) 19.172 13.182 ( 2.428 1.405 1.032) 2.989 13.295 ( 1.861 -0.086 -1.117) 2.172 13.499 ( -0.166 -0.405 -1.250) 1.325 15.630 ( 2.393 -0.281 0.454) 2.451 15.914 ( 0.351 1.980 2.355) 3.097 16.202 ( 1.846 -0.357 2.482) 3.114 16.611 ( -5.019 -0.786 -4.758) 6.960 16.716 ( -5.547 -3.222 7.070) 9.546 21.705 ( 0.665 0.319 -0.410) 0.843 23.706 ( -3.866 8.634 10.721) 14.298 23.822 ( 2.994 -7.808 6.082) 10.341 26.978 ( 6.371 2.564 -11.025) 12.989 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -19.832 -8.692 -7.781) 23.008 1.569 ( -20.416 -13.842 -10.664) 26.872 2.014 ( -21.670 -12.127 10.252) 26.865 2.651 ( -0.866 -1.600 1.625) 2.439 2.751 ( -2.190 -0.773 0.422) 2.360 3.511 ( -2.710 -1.471 0.455) 3.117 7.800 ( -3.980 -1.937 -3.017) 5.357 8.000 ( -3.079 -1.724 -1.072) 3.688 8.730 ( -0.826 -0.875 0.481) 1.296 8.811 ( -2.176 0.454 0.135) 2.226 9.125 ( 3.222 0.340 1.354) 3.511 10.682 ( 7.942 5.068 -17.232) 19.639 13.241 ( 2.434 1.367 -0.339) 2.813 13.327 ( 1.924 0.713 0.171) 2.058 13.477 ( -1.089 -0.372 -0.798) 1.400 15.687 ( 3.725 0.575 0.370) 3.787 15.945 ( 0.384 0.551 1.391) 1.544 16.245 ( 1.197 0.436 1.954) 2.333 16.482 ( -4.676 -0.771 -5.834) 7.516 16.628 ( -6.082 -4.703 8.679) 11.594 21.714 ( 0.313 0.182 -0.295) 0.467 23.797 ( -5.110 8.262 9.595) 13.655 23.837 ( 4.912 -7.753 5.810) 10.862 27.042 ( 5.991 3.215 -10.654) 12.638 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -18.173 -14.161 -5.622) 23.715 0.987 ( -22.789 -13.004 -9.380) 27.864 1.556 ( -27.528 -14.670 20.813) 37.499 2.649 ( -0.122 0.046 1.694) 1.699 2.708 ( -2.020 -1.342 0.637) 2.508 3.453 ( -2.534 -1.132 -0.121) 2.778 7.718 ( -2.399 -1.292 0.893) 2.867 7.931 ( -2.702 -1.605 0.112) 3.144 8.696 ( -1.848 -0.931 0.692) 2.182 8.796 ( -0.636 0.062 1.116) 1.286 9.188 ( 1.745 0.697 1.261) 2.263 10.768 ( 8.674 5.512 -13.380) 16.872 13.284 ( 1.966 1.159 -1.859) 2.943 13.370 ( 1.215 1.293 1.059) 2.066 13.446 ( -1.836 0.191 -0.531) 1.921 15.767 ( 3.944 0.785 1.304) 4.228 15.959 ( 0.851 -0.760 0.240) 1.166 16.265 ( -0.295 0.609 -0.781) 1.033 16.374 ( -2.637 -1.250 -3.993) 4.946 16.537 ( -5.389 -5.086 8.183) 11.039 21.716 ( 0.016 0.048 -0.241) 0.246 23.789 ( -2.747 -2.336 4.954) 6.127 23.928 ( 1.810 1.291 6.389) 6.765 27.105 ( 4.984 4.254 -8.937) 11.081 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 6.051 -0.880 24.023) 24.789 1.061 ( -9.262 5.786 27.854) 29.919 1.758 ( 1.849 20.717 34.056) 39.905 2.680 ( 1.830 0.937 1.423) 2.500 2.706 ( -1.597 1.871 2.241) 3.327 3.384 ( 0.383 1.628 -1.404) 2.183 7.870 ( 0.520 -2.209 4.848) 5.353 7.913 ( -0.639 1.414 2.034) 2.559 8.758 ( 0.307 -2.208 3.356) 4.029 8.830 ( -0.101 0.762 2.038) 2.178 9.074 ( 0.230 6.586 -2.349) 6.996 11.065 ( 0.305 -29.811 -0.301) 29.814 13.285 ( -0.067 -3.786 -0.880) 3.887 13.394 ( 0.424 0.499 -0.752) 0.997 13.403 ( 2.360 0.551 -0.892) 2.582 15.898 ( -1.055 -2.856 1.420) 3.360 15.928 ( -3.892 0.883 -2.290) 4.601 16.104 ( 1.810 7.258 -4.649) 8.807 16.331 ( 0.112 -1.966 1.720) 2.614 16.530 ( -1.434 10.047 4.727) 11.196 21.708 ( 0.042 -0.155 -0.423) 0.452 23.755 ( -9.815 7.254 -1.558) 12.304 23.786 ( 9.254 11.143 -4.247) 15.095 27.248 ( 1.499 -16.069 0.637) 16.151 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 8.479 9.632 17.069) 21.355 1.314 ( 11.682 0.708 26.014) 28.525 2.201 ( 4.166 15.782 23.914) 28.954 2.709 ( -1.794 1.907 2.931) 3.930 2.749 ( 2.234 2.477 3.284) 4.681 3.418 ( 1.342 3.717 -0.880) 4.048 7.904 ( 1.579 -1.676 5.063) 5.562 7.947 ( 1.669 1.458 1.643) 2.758 8.782 ( 1.393 -0.204 2.914) 3.237 8.831 ( -2.113 1.283 2.387) 3.436 9.129 ( 0.554 4.088 -1.533) 4.401 10.757 ( 1.151 -27.801 -5.502) 28.363 13.233 ( -0.931 -3.199 -1.742) 3.759 13.394 ( -0.180 0.450 -0.779) 0.918 13.441 ( 1.464 0.949 -1.670) 2.416 15.800 ( -4.011 -1.440 -1.351) 4.470 15.918 ( -0.370 -1.142 0.985) 1.552 16.157 ( 0.424 5.054 -3.239) 6.018 16.356 ( 3.432 -2.447 2.074) 4.698 16.640 ( -1.116 9.987 5.886) 11.646 21.703 ( 0.042 -0.306 -0.718) 0.782 23.656 ( -8.382 8.695 -3.438) 12.557 24.006 ( 5.290 5.884 3.067) 8.486 27.098 ( -0.008 -13.497 -3.938) 14.059 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 13.969 15.097 10.835) 23.248 1.726 ( 17.883 -1.118 20.494) 27.222 2.467 ( 0.447 7.163 9.647) 12.024 2.731 ( 0.458 0.041 4.421) 4.445 2.849 ( 1.115 4.457 7.207) 8.547 3.492 ( 1.854 6.182 0.355) 6.464 7.950 ( 2.259 -0.984 2.806) 3.734 8.016 ( 3.402 1.033 1.666) 3.926 8.806 ( -1.558 0.274 1.427) 2.131 8.847 ( 1.228 1.318 3.173) 3.649 9.149 ( -0.956 2.003 0.055) 2.220 10.507 ( 5.484 -22.390 -12.151) 26.058 13.171 ( -1.455 -2.503 -1.846) 3.433 13.383 ( -1.081 0.519 -0.927) 1.516 13.452 ( 0.975 0.250 -2.407) 2.609 15.730 ( -1.839 -0.994 -1.075) 2.351 15.890 ( -2.137 -1.746 1.267) 3.037 16.180 ( -0.710 3.403 -1.710) 3.874 16.420 ( 5.372 -2.956 2.888) 6.778 16.765 ( -0.400 9.778 5.791) 11.371 21.693 ( -0.018 -0.467 -1.141) 1.233 23.603 ( -5.678 9.022 -2.372) 10.921 24.112 ( -1.688 0.170 11.059) 11.189 26.943 ( 0.855 -9.399 -10.641) 14.224 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 12.117 10.956 9.575) 18.935 2.158 ( 18.405 2.914 13.143) 22.803 2.529 ( -3.119 5.431 1.647) 6.476 2.768 ( 1.793 -2.552 3.731) 4.863 2.937 ( -0.920 1.667 7.726) 7.957 3.593 ( 2.004 5.733 0.359) 6.084 7.996 ( 2.798 -0.563 0.274) 2.867 8.096 ( 3.706 0.953 0.645) 3.881 8.778 ( -2.532 -0.688 1.808) 3.186 8.901 ( 1.656 0.647 1.381) 2.251 9.142 ( -1.598 0.716 0.733) 1.898 10.345 ( 8.959 -16.453 -16.527) 24.982 13.116 ( -1.241 -1.597 -1.457) 2.492 13.354 ( -1.832 0.100 -1.273) 2.234 13.453 ( 1.516 -0.675 -2.866) 3.311 15.705 ( -0.564 0.369 0.401) 0.784 15.832 ( -3.140 -2.124 1.037) 3.930 16.177 ( -1.408 1.244 -0.360) 1.913 16.517 ( 6.426 -2.564 3.783) 7.885 16.882 ( -1.202 9.169 4.444) 10.260 21.679 ( 0.038 -0.555 -1.486) 1.587 23.612 ( -3.665 10.229 0.535) 10.879 24.106 ( -6.984 -3.847 15.847) 17.740 26.808 ( 3.079 -6.807 -15.704) 17.391 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 7.194 2.437 8.875) 11.682 2.495 ( 0.735 2.504 1.817) 3.180 2.584 ( 7.469 12.784 4.843) 15.578 2.789 ( 1.678 -3.423 2.665) 4.651 2.945 ( -3.401 -1.964 6.595) 7.676 3.654 ( 1.713 1.207 -2.698) 3.416 8.036 ( 2.850 -0.374 -1.637) 3.308 8.159 ( 2.782 0.571 -1.149) 3.064 8.734 ( -2.427 -1.656 1.618) 3.354 8.925 ( 0.593 -0.221 -0.641) 0.900 9.121 ( -1.570 -0.138 0.238) 1.594 10.270 ( 11.122 -10.476 -18.440) 23.947 13.083 ( -0.411 -0.620 -0.842) 1.124 13.311 ( -1.568 -0.644 -1.682) 2.388 13.454 ( 1.896 -1.134 -2.753) 3.530 15.710 ( -1.932 0.107 3.036) 3.600 15.775 ( -0.995 -0.280 0.146) 1.045 16.157 ( -1.162 -0.619 0.368) 1.367 16.627 ( 5.636 -2.199 4.395) 7.478 16.953 ( -3.191 7.789 2.707) 8.842 21.667 ( 0.347 -0.469 -1.553) 1.660 23.683 ( -2.687 11.871 3.912) 12.785 24.021 ( -9.681 -5.621 17.191) 20.514 26.712 ( 6.042 -5.886 -17.943) 19.827 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.878 -2.641 5.312) 5.997 2.475 ( -4.782 5.673 -2.230) 7.748 2.780 ( -1.358 -3.882 5.032) 6.499 2.830 ( -1.573 3.578 4.519) 5.975 2.905 ( 0.193 2.542 3.938) 4.691 3.640 ( 1.649 -3.312 -5.850) 6.921 8.057 ( 1.520 -0.685 -2.642) 3.124 8.176 ( 1.083 -1.502 -2.769) 3.332 8.699 ( -1.106 -0.033 0.773) 1.350 8.915 ( -0.256 0.027 -1.949) 1.966 9.087 ( -1.443 -1.191 -0.782) 2.028 10.265 ( 11.815 -5.606 -19.043) 23.101 13.080 ( 0.704 0.219 -0.258) 0.781 13.272 ( -0.633 -0.814 -1.673) 1.965 13.459 ( 1.993 -1.274 -2.200) 3.230 15.660 ( -3.191 -2.418 2.555) 4.749 15.815 ( 1.475 3.511 1.816) 4.219 16.137 ( -0.146 -1.735 0.841) 1.934 16.711 ( 3.136 -1.782 3.417) 4.968 16.960 ( -5.309 5.229 2.180) 7.764 21.663 ( 0.816 -0.201 -1.315) 1.561 23.782 ( -2.113 8.111 4.115) 9.337 23.922 ( -10.281 -0.625 18.538) 21.207 26.665 ( 9.011 -5.805 -17.614) 20.619 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -8.829 -3.856 -1.680) 9.780 2.436 ( -4.257 4.355 -2.217) 6.481 2.644 ( -10.748 -8.378 7.800) 15.702 2.807 ( -0.513 -1.409 0.703) 1.656 2.962 ( -5.018 3.813 2.179) 6.668 3.596 ( 1.679 -3.296 -4.287) 5.662 8.025 ( -1.420 -2.574 -3.432) 4.519 8.141 ( -0.015 -2.517 -3.068) 3.968 8.713 ( 0.245 2.833 0.744) 2.939 8.901 ( -0.463 1.334 -2.044) 2.484 9.040 ( -0.915 -1.992 -1.836) 2.860 10.301 ( 11.514 -2.072 -19.439) 22.688 13.106 ( 1.817 0.758 -0.030) 1.969 13.257 ( 0.414 0.025 -0.984) 1.068 13.467 ( 1.796 -1.380 -1.476) 2.703 15.611 ( -1.476 -2.123 1.970) 3.251 15.887 ( 1.011 3.139 2.110) 3.915 16.137 ( 1.439 -1.699 1.522) 2.697 16.731 ( -0.813 -0.292 -1.167) 1.452 16.913 ( -6.285 0.988 5.218) 8.228 21.673 ( 1.153 0.118 -0.938) 1.491 23.761 ( -2.284 -6.691 5.853) 9.178 23.967 ( -8.681 14.548 15.618) 23.041 26.674 ( 11.222 -5.054 -15.525) 19.812 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -15.737 -6.521 -6.619) 18.275 2.269 ( -17.548 -1.132 -3.764) 17.983 2.477 ( -5.646 -3.906 6.608) 9.529 2.774 ( -3.879 -2.656 1.945) 5.087 2.851 ( -6.544 -1.743 0.265) 6.777 3.580 ( -0.180 -0.744 0.089) 0.770 7.925 ( -2.921 -3.882 -3.707) 6.111 8.095 ( -1.518 -0.855 -2.258) 2.852 8.749 ( -0.412 1.953 1.831) 2.708 8.889 ( -1.691 0.478 -0.881) 1.966 9.021 ( 1.892 1.125 -2.167) 3.089 10.358 ( 10.986 1.104 -19.826) 22.693 13.151 ( 2.589 0.965 -0.616) 2.831 13.276 ( 1.174 1.554 0.407) 1.990 13.472 ( 1.273 -1.549 -0.802) 2.160 15.600 ( 0.831 -1.171 1.513) 2.086 15.927 ( 0.323 0.612 1.165) 1.355 16.174 ( 2.580 -0.652 2.157) 3.425 16.661 ( -4.630 1.393 -6.595) 8.178 16.843 ( -6.302 -3.296 9.364) 11.758 21.690 ( 1.110 0.314 -0.626) 1.312 23.714 ( 0.928 -7.729 6.020) 9.841 24.047 ( -9.219 13.126 12.236) 20.174 26.742 ( 11.783 -2.346 -12.500) 17.338 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -19.594 -8.043 -7.668) 22.526 1.848 ( -24.873 -1.443 -6.656) 25.788 2.325 ( -15.308 -5.907 10.736) 19.609 2.663 ( -2.803 -3.467 2.534) 5.128 2.792 ( -2.087 -0.231 0.681) 2.208 3.557 ( -2.739 -0.288 1.440) 3.108 7.822 ( -2.999 -2.272 -2.058) 4.289 8.040 ( -3.058 0.098 -1.222) 3.295 8.756 ( -1.497 0.389 1.999) 2.528 8.843 ( -1.887 -1.708 -0.099) 2.547 9.092 ( 3.180 3.650 0.320) 4.852 10.442 ( 10.608 5.286 -19.235) 22.593 13.200 ( 2.770 0.983 -1.743) 3.417 13.329 ( 1.338 2.893 1.691) 3.609 13.468 ( 0.557 -1.589 -0.202) 1.696 15.636 ( 2.948 -0.122 1.317) 3.231 15.932 ( 0.465 -1.628 0.225) 1.708 16.226 ( 2.271 -0.482 1.797) 2.936 16.534 ( -5.719 1.417 -7.647) 9.653 16.752 ( -6.872 -5.101 9.642) 12.893 21.705 ( 0.710 0.324 -0.468) 0.910 23.720 ( 3.770 -7.819 6.209) 10.672 24.063 ( -8.522 7.505 7.609) 13.670 26.859 ( 10.198 2.314 -9.344) 14.023 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -21.356 -2.675 -2.111) 21.626 1.344 ( -27.740 0.671 -5.788) 28.345 2.018 ( -22.587 -8.311 19.302) 30.851 2.647 ( 0.561 -1.265 2.366) 2.742 2.753 ( -2.882 -0.373 0.947) 3.056 3.501 ( -3.820 -0.552 0.548) 3.899 7.763 ( -2.330 0.322 1.855) 2.995 7.979 ( -3.650 0.236 -0.137) 3.660 8.736 ( -2.352 0.185 1.934) 3.051 8.807 ( -0.527 -1.675 0.828) 1.942 9.170 ( 1.976 0.835 1.095) 2.409 10.586 ( 10.667 10.890 -14.677) 21.162 13.241 ( 2.564 0.844 -2.365) 3.589 13.386 ( 0.634 2.494 1.242) 2.857 13.460 ( -0.150 -0.681 0.631) 0.940 15.710 ( 4.195 0.478 1.467) 4.470 15.921 ( 0.975 -2.557 -0.661) 2.816 16.255 ( 0.902 -0.985 0.469) 1.415 16.410 ( -4.688 1.225 -6.105) 7.794 16.640 ( -6.850 -5.473 8.098) 11.936 21.713 ( 0.237 0.221 -0.412) 0.524 23.750 ( 3.036 -7.545 5.455) 9.793 24.014 ( -4.904 -0.237 2.769) 5.637 27.006 ( 7.405 7.270 -6.324) 12.152 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -8.721 8.266 17.612) 21.321 1.524 ( -14.839 6.938 22.945) 28.192 2.183 ( -4.592 17.453 27.635) 33.006 2.657 ( 2.535 0.478 1.358) 2.915 2.783 ( -1.928 3.070 3.324) 4.918 3.389 ( -0.207 1.744 -1.644) 2.406 7.883 ( -0.875 -1.903 4.151) 4.650 7.967 ( -2.200 1.401 2.265) 3.455 8.762 ( 0.063 -0.968 3.040) 3.191 8.841 ( 0.905 1.289 2.434) 2.899 9.122 ( -0.445 4.010 -1.561) 4.326 10.740 ( -0.607 -28.839 -5.585) 29.382 13.225 ( 1.349 -4.294 -1.123) 4.639 13.366 ( 0.336 -0.600 -1.258) 1.434 13.387 ( 0.480 0.115 -0.549) 0.738 15.867 ( 2.180 -0.926 0.826) 2.509 16.003 ( -2.545 0.466 0.124) 2.590 16.105 ( 1.843 5.948 -5.141) 8.075 16.359 ( -3.693 -1.429 1.697) 4.308 16.703 ( -0.876 12.965 5.245) 14.013 21.700 ( 0.060 -0.470 -0.736) 0.876 23.702 ( 8.870 11.114 -4.276) 14.848 23.984 ( -6.467 5.128 3.153) 8.836 27.036 ( 1.755 -16.953 -2.881) 17.286 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 3.134 7.280 19.414) 20.970 1.532 ( -8.123 6.278 25.162) 27.176 2.454 ( -0.384 12.428 16.083) 20.329 2.744 ( 1.408 2.392 3.508) 4.473 2.810 ( -0.639 5.091 5.593) 7.590 3.428 ( 1.851 4.524 -0.122) 4.889 7.891 ( 0.887 -2.819 4.625) 5.488 7.958 ( -0.716 0.486 1.145) 1.435 8.784 ( 0.703 0.328 2.648) 2.759 8.878 ( -0.079 0.925 2.613) 2.774 9.157 ( 0.271 4.884 -1.890) 5.244 10.349 ( 0.894 -38.020 -6.285) 38.546 13.186 ( 0.459 -4.170 -1.837) 4.580 13.376 ( 2.203 -1.568 -1.526) 3.105 13.399 ( 0.680 0.967 -1.099) 1.614 15.873 ( -1.889 -1.223 1.880) 2.932 15.945 ( -3.361 2.432 -1.000) 4.267 16.173 ( 1.245 5.131 -3.209) 6.179 16.320 ( -0.252 -1.246 1.644) 2.078 16.838 ( -2.860 13.574 6.130) 15.166 21.690 ( 0.140 -0.774 -0.973) 1.251 23.904 ( -8.871 8.776 -0.291) 12.482 23.969 ( 7.645 11.589 -2.424) 14.094 26.873 ( 2.967 -20.431 -2.243) 20.767 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 12.138 9.505 15.276) 21.703 1.714 ( 2.712 5.778 22.893) 23.766 2.606 ( -0.867 7.633 5.214) 9.285 2.755 ( -1.495 -0.389 2.778) 3.179 2.940 ( 0.846 5.475 8.585) 10.217 3.531 ( 2.248 6.922 1.937) 7.531 7.910 ( 1.896 -3.400 2.981) 4.903 7.979 ( 2.257 -0.209 0.915) 2.444 8.818 ( 0.781 0.425 1.239) 1.525 8.892 ( -1.365 1.358 2.754) 3.360 9.188 ( -0.652 3.302 -0.717) 3.441 10.000 ( 8.445 -36.631 -10.083) 38.921 13.139 ( 0.044 -3.477 -2.092) 4.058 13.383 ( 2.148 -2.181 -1.917) 3.612 13.401 ( -0.244 0.261 -1.794) 1.829 15.820 ( -5.481 2.935 1.640) 6.430 15.923 ( -1.780 0.452 0.281) 1.858 16.207 ( 0.213 3.763 -2.505) 4.526 16.338 ( 2.569 -2.224 2.463) 4.197 16.961 ( -3.331 13.648 6.683) 15.557 21.676 ( 0.141 -1.045 -1.328) 1.696 23.830 ( -9.043 12.215 -2.255) 15.364 24.172 ( 3.870 4.697 5.798) 8.405 26.706 ( 3.222 -17.858 -7.398) 19.596 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 15.070 13.451 9.225) 22.206 1.998 ( 9.617 2.326 19.016) 21.436 2.664 ( -3.061 7.920 0.786) 8.527 2.747 ( 0.036 -2.434 2.994) 3.859 3.024 ( -1.052 1.728 7.030) 7.315 3.631 ( 0.553 4.991 0.950) 5.111 7.929 ( 2.912 -3.224 0.381) 4.361 8.034 ( 3.936 -0.801 0.465) 4.044 8.812 ( -1.222 -1.696 -0.673) 2.196 8.907 ( -0.343 1.145 2.340) 2.628 9.185 ( -1.957 0.748 0.632) 2.188 9.801 ( 14.898 -28.444 -13.396) 34.792 13.095 ( -0.051 -2.508 -1.776) 3.073 13.367 ( 0.069 -2.505 -3.114) 3.998 13.388 ( 0.628 -0.324 -1.156) 1.355 15.786 ( -4.347 4.703 2.548) 6.892 15.881 ( -3.272 -0.147 -0.081) 3.276 16.213 ( -1.554 1.812 -1.098) 2.627 16.406 ( 5.888 -2.338 3.249) 7.120 17.074 ( -3.900 12.810 5.796) 14.591 21.658 ( 0.192 -1.167 -1.626) 2.011 23.825 ( -5.875 14.626 -0.482) 15.769 24.261 ( -2.439 -1.523 13.225) 13.534 26.536 ( 3.959 -14.345 -14.286) 20.629 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 4.687 4.807 11.412) 13.241 2.401 ( 16.430 7.664 7.614) 19.663 2.693 ( -2.517 10.134 -1.085) 10.498 2.747 ( 1.077 -3.102 2.689) 4.245 3.036 ( -3.216 -1.300 6.952) 7.770 3.641 ( -1.513 -0.106 -2.846) 3.225 7.953 ( 3.742 -2.718 -1.402) 4.833 8.089 ( 3.752 -1.678 -1.200) 4.282 8.749 ( -1.156 -3.810 -1.972) 4.443 8.921 ( -0.374 0.553 1.041) 1.236 9.152 ( -2.093 -0.669 0.217) 2.208 9.760 ( 17.111 -18.165 -14.111) 28.669 13.068 ( 0.273 -1.334 -1.204) 1.818 13.314 ( -1.126 -2.008 -2.444) 3.358 13.391 ( 1.465 -1.057 -1.542) 2.375 15.786 ( -3.515 1.072 3.577) 5.129 15.825 ( -2.900 3.808 -0.461) 4.809 16.181 ( -2.275 -0.540 0.027) 2.338 16.524 ( 6.960 -1.491 3.645) 7.996 17.144 ( -5.406 10.449 4.163) 12.479 21.641 ( 0.469 -1.017 -1.658) 2.001 23.899 ( -4.256 15.248 1.660) 15.917 24.251 ( -7.068 -3.324 18.582) 20.157 26.380 ( 6.541 -12.499 -19.297) 23.904 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 0.429 0.723 7.717) 7.763 2.602 ( -2.713 6.673 -1.010) 7.274 2.743 ( 1.792 -3.615 1.898) 4.459 2.899 ( 8.989 12.163 3.602) 15.547 2.977 ( -6.167 -4.013 6.996) 10.153 3.554 ( -1.620 -4.453 -6.348) 7.922 7.982 ( 3.649 -2.051 -2.159) 4.710 8.095 ( 2.201 -4.766 -3.402) 6.255 8.703 ( 0.737 -0.548 -2.443) 2.610 8.921 ( -0.858 0.759 0.485) 1.244 9.104 ( -2.277 -0.911 -1.152) 2.710 9.817 ( 16.674 -10.779 -14.191) 24.405 13.064 ( 0.854 -0.254 -0.766) 1.174 13.266 ( -0.837 -1.215 -1.476) 2.087 13.398 ( 1.855 -1.302 -1.408) 2.668 15.716 ( -4.239 -1.872 1.421) 4.847 15.870 ( -0.512 6.395 2.269) 6.805 16.135 ( -1.552 -2.058 0.529) 2.631 16.644 ( 5.443 -0.812 2.991) 6.264 17.145 ( -7.126 6.578 3.140) 10.194 21.635 ( 0.960 -0.592 -1.388) 1.788 23.929 ( -6.692 3.245 3.822) 8.362 24.270 ( -7.614 9.490 19.606) 23.074 26.271 ( 10.856 -12.181 -20.565) 26.251 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -5.875 -1.657 3.194) 6.889 2.559 ( -5.747 5.516 -3.564) 8.727 2.739 ( -0.928 -4.523 3.964) 6.085 2.844 ( -7.375 -4.354 3.693) 9.327 3.100 ( -2.520 6.588 3.103) 7.706 3.477 ( 4.157 -3.212 -5.235) 7.416 7.980 ( 0.156 -3.933 -3.542) 5.295 8.058 ( 3.225 -4.333 -2.974) 6.166 8.735 ( 1.664 4.194 -1.218) 4.674 8.920 ( -0.844 1.608 0.290) 1.839 9.042 ( -2.410 -0.607 -2.632) 3.620 9.916 ( 15.213 -5.202 -14.704) 21.787 13.080 ( 1.527 0.460 -0.744) 1.760 13.250 ( 0.249 0.276 -0.310) 0.484 13.409 ( 2.042 -1.555 -1.022) 2.762 15.643 ( -3.148 -1.839 1.580) 3.974 15.935 ( -0.666 4.671 2.034) 5.138 16.106 ( 0.615 -2.204 0.845) 2.439 16.717 ( 1.916 0.251 -0.049) 1.933 17.079 ( -7.878 1.602 4.453) 9.190 21.644 ( 1.410 -0.071 -0.992) 1.725 23.819 ( -6.938 -5.309 5.782) 10.477 24.386 ( -9.583 16.601 15.222) 24.477 26.258 ( 15.579 -10.027 -17.259) 25.321 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -15.024 -4.232 -2.551) 15.815 2.509 ( -6.726 6.502 -3.775) 10.088 2.585 ( -10.912 -6.577 6.507) 14.306 2.784 ( 0.271 -1.805 1.024) 2.092 2.992 ( -10.741 -2.312 0.723) 11.011 3.551 ( 4.356 1.370 0.425) 4.586 7.895 ( -1.125 -4.245 -3.623) 5.693 8.071 ( 1.971 -0.962 -1.249) 2.523 8.792 ( -0.075 3.026 1.407) 3.338 8.909 ( -1.858 -1.543 -0.175) 2.422 9.015 ( 0.518 5.429 -3.107) 6.277 10.038 ( 13.464 0.811 -15.427) 20.493 13.112 ( 2.150 0.749 -1.204) 2.575 13.278 ( 1.458 2.192 0.820) 2.757 13.421 ( 1.912 -1.891 -0.625) 2.761 15.601 ( -1.103 -1.361 1.923) 2.602 15.948 ( -1.594 0.294 0.898) 1.854 16.134 ( 2.759 -0.146 1.125) 2.983 16.701 ( -2.859 1.603 -5.382) 6.302 16.983 ( -7.077 -3.210 8.310) 11.378 21.666 ( 1.521 0.317 -0.686) 1.698 23.702 ( -3.597 -6.970 5.887) 9.808 24.419 ( -11.852 10.626 7.962) 17.798 26.387 ( 17.438 -2.873 -10.360) 20.486 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -19.237 -2.538 -1.994) 19.506 2.227 ( -22.248 2.461 -4.554) 22.842 2.520 ( -4.705 -0.646 6.013) 7.662 2.738 ( -7.360 -4.665 4.141) 9.648 2.820 ( -2.502 -1.554 0.286) 2.959 3.604 ( -0.701 0.823 2.101) 2.363 7.832 ( -1.263 -0.760 -1.112) 1.847 8.076 ( -0.862 0.790 -0.388) 1.232 8.806 ( -1.472 0.439 2.370) 2.824 8.845 ( -1.901 -2.616 -0.440) 3.264 9.095 ( 2.016 5.782 -0.699) 6.163 10.199 ( 12.276 8.618 -15.282) 21.413 13.150 ( 2.533 0.701 -1.885) 3.234 13.346 ( 1.831 3.650 1.471) 4.341 13.428 ( 1.684 -2.038 -0.285) 2.659 15.607 ( 1.323 -0.584 2.163) 2.602 15.915 ( -0.965 -2.362 -0.012) 2.552 16.190 ( 2.627 0.078 0.817) 2.752 16.595 ( -5.587 1.637 -7.751) 9.694 16.884 ( -6.915 -5.249 9.699) 13.017 21.690 ( 1.194 0.454 -0.566) 1.397 23.648 ( 0.670 -7.130 6.538) 9.697 24.300 ( -11.074 0.394 0.325) 11.086 26.635 ( 14.884 5.565 -4.605) 16.544 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -19.283 5.613 5.027) 20.703 1.808 ( -26.612 5.171 -5.088) 27.583 2.381 ( -14.711 -5.207 13.388) 20.561 2.652 ( -0.848 -0.590 1.891) 2.155 2.796 ( -1.649 -0.940 1.786) 2.606 3.574 ( -4.164 -0.343 1.481) 4.433 7.824 ( -1.345 2.509 2.425) 3.740 8.049 ( -3.348 1.400 0.099) 3.631 8.789 ( -0.076 -2.752 1.260) 3.027 8.804 ( -2.528 0.918 1.696) 3.180 9.155 ( 1.123 0.518 0.354) 1.287 10.434 ( 11.925 15.630 -12.558) 23.328 13.185 ( 2.649 0.326 -2.384) 3.579 13.398 ( 0.451 0.118 0.384) 0.604 13.453 ( 1.718 1.503 0.742) 2.400 15.660 ( 3.275 0.189 1.984) 3.833 15.878 ( 0.230 -2.942 -0.687) 3.030 16.227 ( 1.591 -0.841 0.321) 1.828 16.468 ( -5.211 1.869 -6.244) 8.345 16.767 ( -7.612 -5.073 8.226) 12.302 21.706 ( 0.628 0.370 -0.579) 0.931 23.661 ( 3.039 -7.199 6.897) 10.422 24.087 ( -7.725 -6.660 -3.411) 10.755 26.908 ( 10.345 9.723 -3.120) 14.535 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -16.437 11.722 11.236) 23.105 1.958 ( -11.344 7.389 17.470) 22.102 2.580 ( -5.302 12.313 18.871) 23.149 2.629 ( 1.487 -0.256 1.434) 2.082 2.865 ( -0.880 3.236 4.452) 5.573 3.413 ( -2.049 2.038 -1.197) 3.128 7.912 ( -2.264 -2.114 2.166) 3.779 8.034 ( -2.753 0.540 1.536) 3.199 8.771 ( 0.300 -0.289 2.550) 2.584 8.869 ( -0.829 1.344 2.512) 2.967 9.144 ( 0.804 2.234 0.071) 2.376 10.470 ( -5.623 -24.291 -12.732) 27.996 13.153 ( 1.301 -3.487 -1.315) 3.947 13.357 ( -0.676 -1.244 -0.817) 1.635 13.376 ( -0.340 -0.511 -1.085) 1.246 15.821 ( 2.971 -0.257 0.326) 3.000 16.014 ( 3.337 2.504 0.992) 4.288 16.103 ( -0.338 2.318 -3.024) 3.825 16.438 ( -5.198 -0.750 2.120) 5.664 16.863 ( 1.561 13.338 4.875) 14.287 21.687 ( 0.011 -0.780 -1.132) 1.374 23.649 ( 7.082 11.222 -3.919) 13.836 24.106 ( 0.912 0.268 11.940) 11.977 26.842 ( -2.151 -14.327 -9.736) 17.455 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -7.974 12.070 15.479) 21.187 1.930 ( -12.518 5.141 20.789) 24.805 2.603 ( -0.314 2.003 4.386) 4.832 2.814 ( 0.183 7.413 6.984) 10.187 2.914 ( -0.652 5.070 6.530) 8.293 3.448 ( 1.761 5.681 1.393) 6.108 7.880 ( -0.313 -3.540 2.959) 4.625 7.990 ( -2.452 -1.140 0.469) 2.744 8.796 ( 0.315 0.710 2.182) 2.316 8.893 ( 0.654 0.162 3.035) 3.108 9.183 ( 0.566 3.946 -1.449) 4.242 9.965 ( -6.453 -37.009 -10.436) 38.990 13.123 ( 0.669 -3.908 -1.526) 4.248 13.323 ( 0.339 -1.821 -1.675) 2.498 13.390 ( 1.000 0.860 -0.676) 1.482 15.863 ( 2.021 -0.750 1.528) 2.642 16.021 ( -2.453 1.408 -0.138) 2.832 16.171 ( 2.817 5.283 -2.567) 6.514 16.361 ( -4.056 -0.659 1.903) 4.529 17.051 ( -0.406 14.836 5.188) 15.723 21.671 ( 0.134 -1.178 -1.290) 1.752 23.903 ( 9.476 13.370 -2.601) 16.593 24.143 ( -6.195 5.285 4.905) 9.506 26.604 ( 1.230 -20.426 -5.622) 21.221 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.708 11.531 15.692) 19.486 1.957 ( -6.001 5.139 21.799) 23.187 2.673 ( 2.036 3.519 1.986) 4.525 2.830 ( -3.903 1.839 2.262) 4.871 3.024 ( 0.858 4.554 5.156) 6.932 3.577 ( 2.549 7.121 3.547) 8.354 7.864 ( 0.878 -4.947 2.708) 5.707 7.952 ( -0.002 -1.783 0.005) 1.783 8.810 ( 0.204 -1.250 -0.572) 1.390 8.929 ( 0.669 0.246 2.990) 3.074 9.219 ( 0.538 3.988 -2.503) 4.739 9.472 ( 0.716 -38.207 -6.640) 38.786 13.085 ( 0.496 -3.467 -1.755) 3.917 13.305 ( 1.433 -2.815 -2.158) 3.826 13.405 ( 0.158 0.972 -0.896) 1.331 15.898 ( 0.586 0.216 2.767) 2.836 15.989 ( -3.507 3.287 -1.105) 4.932 16.221 ( 0.077 3.460 -2.086) 4.041 16.327 ( -0.841 -0.807 2.231) 2.517 17.205 ( -2.905 15.086 5.616) 16.357 21.651 ( 0.200 -1.456 -1.493) 2.095 24.079 ( -7.439 9.010 -0.219) 11.686 24.170 ( 5.727 8.979 1.854) 10.810 26.412 ( 3.636 -20.360 -5.486) 21.397 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 9.872 11.183 12.561) 19.501 2.105 ( 0.559 5.587 18.544) 19.375 2.735 ( 0.224 0.568 1.949) 2.043 2.800 ( -2.854 3.992 0.757) 4.965 3.088 ( -0.124 1.995 3.384) 3.930 3.675 ( 0.164 3.421 1.042) 3.580 7.848 ( 1.967 -4.991 0.511) 5.389 7.960 ( 2.934 -2.369 0.236) 3.779 8.737 ( 1.544 -12.027 -6.735) 13.871 8.953 ( -0.814 1.184 2.619) 2.987 9.200 ( 3.361 -19.458 2.390) 19.890 9.256 ( 5.520 -2.598 -5.839) 8.444 13.052 ( 0.595 -2.684 -1.599) 3.180 13.286 ( 1.657 -3.426 -2.394) 4.496 13.402 ( -0.828 0.880 -0.922) 1.520 15.910 ( -2.190 0.422 2.733) 3.527 15.955 ( -4.214 4.976 -0.866) 6.578 16.242 ( 0.104 2.846 -1.800) 3.369 16.335 ( 1.795 -2.109 3.429) 4.407 17.321 ( -4.632 14.195 4.905) 15.717 21.630 ( 0.246 -1.520 -1.624) 2.237 24.059 ( -5.508 12.456 -0.366) 13.624 24.330 ( 2.165 1.804 7.885) 8.374 26.236 ( 3.000 -17.092 -10.330) 20.195 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 15.102 10.933 6.881) 19.874 2.293 ( 2.559 4.019 14.178) 14.957 2.723 ( -0.546 -3.123 2.851) 4.264 2.824 ( -2.028 7.867 -1.016) 8.188 3.106 ( -1.649 -0.454 3.980) 4.332 3.653 ( -2.764 -1.567 -2.962) 4.344 7.846 ( 3.514 -4.122 -1.213) 5.551 7.991 ( 3.613 -3.318 -1.370) 5.093 8.601 ( 5.993 -15.134 -7.448) 17.901 8.963 ( -1.391 1.332 2.531) 3.181 9.145 ( 2.405 -7.932 1.830) 8.488 9.305 ( 8.045 -3.899 -4.796) 10.145 13.034 ( 0.915 -1.656 -1.199) 2.240 13.263 ( 1.311 -3.198 -1.898) 3.943 13.386 ( -1.128 0.675 -0.914) 1.601 15.863 ( -3.876 -0.648 0.321) 3.943 15.945 ( -3.650 6.289 1.442) 7.413 16.226 ( -2.982 0.679 -0.450) 3.091 16.419 ( 6.506 -1.115 3.851) 7.642 17.382 ( -6.469 11.543 3.113) 13.593 21.611 ( 0.460 -1.278 -1.525) 2.043 24.129 ( -3.884 13.514 2.328) 14.253 24.400 ( -0.320 -1.257 13.010) 13.074 26.039 ( 2.698 -14.623 -16.323) 22.081 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 0.362 1.981 7.495) 7.761 2.623 ( 9.595 7.123 2.583) 12.226 2.708 ( -0.361 -3.053 3.299) 4.509 2.897 ( 3.493 9.831 -0.848) 10.468 3.067 ( -3.831 -3.504 4.568) 6.915 3.532 ( -4.535 -3.781 -4.952) 7.706 7.872 ( 4.682 -2.945 -1.656) 5.774 7.973 ( 2.165 -6.626 -4.398) 8.243 8.588 ( 8.285 -4.433 -4.412) 10.380 8.966 ( -1.675 1.379 2.441) 3.266 9.115 ( -0.585 -2.848 -0.297) 2.922 9.393 ( 12.030 -6.284 -5.187) 14.530 13.035 ( 1.298 -0.592 -0.897) 1.685 13.246 ( 0.705 -2.003 -0.671) 2.227 13.370 ( -0.372 0.115 -1.023) 1.094 15.783 ( -4.498 -0.907 -0.044) 4.588 15.970 ( -1.785 5.948 1.851) 6.480 16.165 ( -3.628 -1.109 0.423) 3.817 16.554 ( 6.771 -0.381 3.571) 7.665 17.363 ( -8.361 7.363 1.468) 11.237 21.603 ( 0.918 -0.750 -1.180) 1.672 24.120 ( -9.168 0.442 6.278) 11.121 24.562 ( 1.531 13.261 14.737) 19.884 25.839 ( 6.072 -15.086 -20.382) 26.075 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -2.745 -0.108 4.440) 5.221 2.658 ( -4.441 -2.187 0.016) 4.950 2.727 ( 0.135 2.710 -1.190) 2.963 2.941 ( -5.270 -5.031 3.750) 8.194 3.173 ( 8.452 10.334 2.642) 13.610 3.381 ( -4.008 -4.276 -4.660) 7.488 7.896 ( 0.946 -6.028 -4.472) 7.565 7.927 ( 5.513 -2.396 -1.572) 6.214 8.702 ( 6.273 4.481 -2.321) 8.051 8.966 ( -1.788 1.292 2.154) 3.083 9.067 ( -2.122 0.053 -1.983) 2.905 9.527 ( 14.937 -5.176 -6.179) 16.973 13.053 ( 1.563 0.244 -0.852) 1.797 13.244 ( 0.664 -0.168 0.416) 0.801 13.364 ( 0.830 -0.688 -0.934) 1.426 15.699 ( -4.167 -1.061 0.514) 4.331 16.018 ( -0.967 5.352 1.484) 5.638 16.094 ( -2.334 -2.655 0.453) 3.564 16.670 ( 4.429 0.019 1.864) 4.805 17.267 ( -9.374 2.426 1.538) 9.804 21.613 ( 1.430 -0.115 -0.767) 1.627 23.958 ( -10.438 -5.787 6.771) 13.721 24.793 ( -7.207 17.673 12.178) 22.640 25.746 ( 16.917 -12.765 -17.553) 27.518 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -11.993 -3.112 1.047) 12.434 2.578 ( -1.054 -0.526 0.234) 1.201 2.732 ( -1.752 0.870 0.106) 1.959 2.812 ( -7.797 -1.176 1.527) 8.031 3.157 ( -10.862 -2.582 -0.356) 11.170 3.463 ( 9.327 4.267 0.381) 10.264 7.839 ( 0.813 -2.670 -2.888) 4.017 7.999 ( 4.843 -0.408 -0.123) 4.862 8.813 ( 2.083 3.324 -0.036) 3.923 8.934 ( -3.083 -1.242 -0.133) 3.327 9.059 ( -0.305 6.232 -1.579) 6.436 9.724 ( 15.707 1.540 -7.514) 17.480 13.079 ( 1.685 0.593 -1.033) 2.063 13.276 ( 1.759 1.915 0.780) 2.715 13.370 ( 1.488 -1.406 -0.564) 2.124 15.634 ( -2.776 -1.032 1.372) 3.264 15.999 ( -3.950 -0.986 0.721) 4.134 16.097 ( 2.393 1.307 0.110) 2.729 16.714 ( -0.049 0.831 -2.272) 2.419 17.130 ( -8.448 -2.356 4.548) 9.879 21.637 ( 1.696 0.390 -0.504) 1.812 23.774 ( -8.001 -7.070 6.201) 12.347 24.737 ( -14.086 2.580 -0.551) 14.331 25.984 ( 22.885 2.848 -4.447) 23.487 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -15.523 -0.822 1.711) 15.638 2.568 ( -15.880 1.512 -0.527) 15.961 2.590 ( -1.076 2.992 0.766) 3.271 2.775 ( 0.873 -0.924 1.926) 2.308 2.918 ( -11.390 -6.097 0.851) 12.947 3.613 ( 3.241 2.582 1.618) 4.449 7.839 ( 0.596 1.899 0.030) 1.991 8.073 ( 2.670 1.280 0.866) 3.084 8.817 ( -1.600 -2.979 -0.274) 3.393 8.883 ( -2.055 1.372 0.825) 2.605 9.120 ( 0.732 4.856 -0.891) 4.991 9.996 ( 14.401 12.100 -8.623) 20.692 13.106 ( 1.856 0.446 -1.454) 2.400 13.351 ( 2.966 3.786 0.697) 4.860 13.376 ( 1.444 -1.946 -0.276) 2.439 15.608 ( -0.516 -0.800 2.202) 2.399 15.921 ( -2.867 -2.987 -0.156) 4.143 16.152 ( 2.483 0.887 -0.283) 2.651 16.654 ( -4.601 1.580 -6.122) 7.820 17.007 ( -6.630 -5.187 7.940) 11.572 21.668 ( 1.533 0.613 -0.482) 1.720 23.647 ( -3.480 -7.046 6.866) 10.436 24.441 ( -12.530 -8.280 -7.108) 16.616 26.416 ( 18.676 11.610 0.647) 22.000 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -14.705 5.781 6.215) 16.979 2.261 ( -22.037 6.156 -2.294) 22.995 2.587 ( -6.232 -2.149 6.428) 9.207 2.697 ( -5.219 -2.441 1.072) 5.861 2.809 ( 0.769 -0.944 2.457) 2.742 3.645 ( -2.417 0.592 1.724) 3.027 7.888 ( -0.046 4.698 2.661) 5.400 8.112 ( -1.176 2.226 0.886) 2.669 8.759 ( -0.242 -3.399 -0.047) 3.408 8.874 ( -2.148 1.489 1.964) 3.269 9.147 ( 0.108 -0.068 -0.284) 0.311 10.323 ( 12.391 18.507 -9.046) 24.039 13.131 ( 2.077 0.002 -1.926) 2.833 13.375 ( 0.947 -2.179 -0.022) 2.376 13.446 ( 2.693 4.102 -0.015) 4.907 15.630 ( 1.840 -0.409 2.562) 3.181 15.849 ( -1.182 -3.197 -1.008) 3.555 16.190 ( 1.889 -0.522 -0.446) 2.010 16.542 ( -5.312 2.508 -5.179) 7.831 16.895 ( -6.789 -5.156 7.659) 11.460 21.692 ( 1.009 0.534 -0.640) 1.308 23.608 ( 0.659 -7.051 8.286) 10.901 24.103 ( -8.800 -11.145 -7.538) 16.077 26.805 ( 12.440 12.007 -1.184) 17.329 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -16.898 10.317 8.356) 21.490 2.254 ( -5.043 4.274 9.627) 11.678 2.624 ( 2.393 4.104 3.986) 6.201 2.827 ( -3.117 3.814 8.166) 9.537 2.931 ( 0.551 2.794 5.704) 6.375 3.498 ( -5.349 2.768 0.240) 6.028 7.946 ( -3.532 -2.198 -0.488) 4.189 8.081 ( -2.692 -1.470 -0.388) 3.092 8.778 ( 1.042 0.397 2.582) 2.812 8.921 ( -1.626 1.272 1.840) 2.765 9.144 ( 1.655 1.280 1.309) 2.468 10.288 ( -10.001 -19.166 -17.897) 28.065 13.100 ( 0.679 -2.203 -1.130) 2.567 13.340 ( 1.173 -0.293 -0.269) 1.239 13.385 ( -3.115 -2.073 -1.767) 4.138 15.768 ( 3.247 -0.093 0.403) 3.274 15.967 ( 5.831 3.690 0.694) 6.936 16.120 ( -1.180 -0.005 0.155) 1.190 16.543 ( -5.602 -0.345 2.864) 6.301 16.964 ( 4.242 11.463 3.148) 12.621 21.671 ( -0.210 -0.880 -1.422) 1.685 23.629 ( 5.692 10.013 -1.145) 11.574 24.127 ( 6.546 -1.755 17.228) 18.513 26.706 ( -6.367 -11.233 -15.244) 19.977 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -12.088 11.659 11.550) 20.383 2.280 ( -7.392 5.305 12.878) 15.768 2.635 ( -2.144 -0.353 2.874) 3.603 2.912 ( 0.400 4.041 4.733) 6.236 3.003 ( -0.307 3.285 4.692) 5.736 3.504 ( 0.319 6.146 2.461) 6.628 7.871 ( -1.662 -3.715 0.391) 4.089 8.008 ( -2.187 -3.468 -1.068) 4.236 8.817 ( 0.340 1.383 2.429) 2.816 8.912 ( -1.432 -0.859 2.760) 3.226 9.195 ( 1.220 2.646 -0.270) 2.926 9.714 ( -12.946 -30.473 -15.120) 36.398 13.074 ( 0.106 -2.776 -1.091) 2.985 13.306 ( -1.665 -2.159 -1.380) 3.055 13.371 ( 1.592 0.656 -0.600) 1.823 15.822 ( 2.972 -0.205 0.808) 3.087 16.052 ( 0.077 0.304 1.084) 1.128 16.151 ( 3.313 4.578 -1.303) 5.799 16.457 ( -5.737 -0.313 2.274) 6.179 17.190 ( 4.173 13.624 3.351) 14.637 21.648 ( -0.094 -1.326 -1.499) 2.004 23.872 ( 8.648 13.797 -0.745) 16.300 24.288 ( -0.276 1.635 12.506) 12.615 26.373 ( -3.425 -17.585 -12.414) 21.796 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -6.406 12.288 12.710) 18.804 2.267 ( -9.395 3.132 17.582) 20.179 2.666 ( 2.698 2.618 1.133) 3.927 2.922 ( -3.629 0.263 1.679) 4.008 3.060 ( 1.414 2.808 1.146) 3.347 3.623 ( 2.606 5.815 3.013) 7.049 7.819 ( -0.084 -5.245 1.252) 5.393 7.936 ( -1.012 -3.759 -0.921) 4.001 8.770 ( -5.183 -11.044 -4.526) 13.012 8.908 ( 1.899 -3.195 4.445) 5.794 9.152 ( -4.130 -12.672 -8.038) 15.564 9.267 ( -0.864 -4.557 1.182) 4.786 13.039 ( -0.001 -2.700 -1.103) 2.917 13.257 ( -0.334 -2.438 -1.573) 2.921 13.399 ( 1.066 0.911 -0.701) 1.568 15.881 ( 2.920 0.257 1.681) 3.379 16.045 ( -1.283 1.674 -1.115) 2.385 16.237 ( 1.719 3.805 -1.135) 4.327 16.379 ( -4.338 -0.760 2.676) 5.153 17.397 ( 1.321 13.993 3.196) 14.414 21.624 ( 0.071 -1.549 -1.505) 2.161 24.143 ( 7.034 11.399 1.286) 13.456 24.305 ( -6.663 4.313 4.784) 9.268 26.121 ( 2.677 -18.450 -8.020) 20.295 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -0.203 11.540 11.162) 16.056 2.297 ( -3.831 2.639 17.636) 18.240 2.745 ( 1.099 1.604 1.466) 2.435 2.869 ( -1.912 0.792 0.133) 2.074 3.112 ( 1.062 2.321 0.069) 2.553 3.698 ( 0.426 1.249 -0.380) 1.373 7.776 ( 0.641 -5.839 0.899) 5.943 7.899 ( 1.157 -3.131 -0.012) 3.338 8.426 ( -0.332 -28.441 -8.069) 29.566 8.954 ( 2.411 -1.743 3.740) 4.779 9.039 ( -0.431 -1.848 0.391) 1.937 9.273 ( -0.486 2.067 -0.117) 2.126 13.010 ( 0.298 -2.225 -0.932) 2.431 13.224 ( 0.506 -2.567 -1.519) 3.026 13.413 ( 0.030 0.881 -0.754) 1.160 15.934 ( 0.778 0.261 1.270) 1.512 16.040 ( -0.870 3.655 -1.663) 4.109 16.261 ( -0.952 2.202 -0.203) 2.408 16.342 ( -1.298 -1.137 2.786) 3.277 17.544 ( -2.040 13.218 2.261) 13.564 21.601 ( 0.168 -1.486 -1.401) 2.049 24.237 ( -4.629 7.569 -1.139) 8.945 24.359 ( 2.786 3.666 7.311) 8.640 25.966 ( 3.315 -14.631 -8.233) 17.113 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 7.813 9.870 7.092) 14.448 2.397 ( -0.211 2.178 12.871) 13.056 2.733 ( -1.313 -2.663 3.130) 4.315 2.897 ( 0.235 4.513 -0.070) 4.520 3.136 ( -0.342 0.816 0.094) 0.890 3.657 ( -2.344 -2.571 -3.565) 4.982 7.746 ( 2.106 -4.726 -0.524) 5.200 7.897 ( 1.757 -3.633 -1.339) 4.252 8.207 ( 9.820 -22.373 -2.679) 24.579 8.995 ( 1.565 -1.336 2.983) 3.624 9.036 ( 0.723 -1.211 0.799) 1.621 9.278 ( -0.940 2.028 -0.871) 2.399 12.996 ( 0.816 -1.482 -0.608) 1.798 13.205 ( 1.055 -2.249 -0.961) 2.663 13.408 ( -0.968 0.779 -0.757) 1.455 15.914 ( -2.691 0.050 -1.060) 2.893 16.055 ( -2.033 3.876 0.303) 4.388 16.276 ( -0.854 2.296 -0.833) 2.588 16.347 ( 2.491 -1.920 4.573) 5.550 17.610 ( -5.293 10.859 0.317) 12.084 21.583 ( 0.303 -1.125 -1.115) 1.613 24.292 ( 1.066 9.773 1.457) 9.938 24.437 ( 0.079 -2.470 8.885) 9.222 25.807 ( -0.456 -10.506 -11.521) 15.599 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 2.757 0.870 0.624) 2.958 2.529 ( 9.883 4.909 7.157) 13.153 2.732 ( -0.840 -0.457 5.672) 5.752 2.940 ( 0.302 4.285 -0.190) 4.299 3.100 ( -2.657 -3.072 -0.450) 4.087 3.554 ( -3.872 -1.434 -3.329) 5.304 7.753 ( 4.044 -3.236 -1.570) 5.412 7.848 ( 1.362 -6.460 -3.453) 7.451 8.295 ( 15.920 -7.236 2.295) 17.637 9.019 ( -0.636 0.781 2.590) 2.779 9.042 ( 2.646 -3.907 0.236) 4.725 9.273 ( -0.195 0.985 -1.505) 1.809 13.001 ( 1.331 -0.618 -0.385) 1.517 13.205 ( 1.446 -1.513 0.076) 2.094 13.387 ( -1.530 0.590 -0.832) 1.839 15.846 ( -3.980 -0.188 -1.326) 4.199 16.053 ( -1.930 2.707 0.503) 3.363 16.239 ( -4.266 0.951 0.235) 4.377 16.457 ( 6.884 -0.607 4.257) 8.117 17.579 ( -8.127 7.087 -1.758) 10.925 21.577 ( 0.643 -0.534 -0.664) 1.067 24.311 ( -8.529 -3.375 8.642) 12.603 24.618 ( 13.461 10.314 5.240) 17.749 25.582 ( -4.642 -9.337 -14.039) 17.487 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 1.798 -3.535 0.650) 4.019 2.704 ( -2.117 -3.772 2.180) 4.844 2.752 ( 0.953 5.314 -0.119) 5.400 2.971 ( -0.878 -3.977 3.552) 5.404 3.084 ( 7.322 4.519 -2.484) 8.956 3.456 ( -6.275 1.265 -1.074) 6.490 7.778 ( 3.213 -3.574 -2.935) 5.631 7.824 ( 3.746 -1.667 -0.440) 4.123 8.567 ( 14.153 4.000 1.536) 14.788 9.015 ( -1.268 -0.211 0.004) 1.285 9.064 ( 2.096 -0.913 2.313) 3.252 9.288 ( 4.607 -1.664 -1.522) 5.130 13.022 ( 1.648 0.144 -0.366) 1.694 13.226 ( 1.647 -0.406 1.089) 2.016 13.360 ( -1.221 0.216 -0.979) 1.579 15.765 ( -4.294 -0.389 -0.686) 4.366 16.055 ( -0.210 1.097 -0.248) 1.144 16.167 ( -5.305 0.685 0.837) 5.414 16.593 ( 6.214 -0.545 3.339) 7.075 17.457 ( -9.872 2.742 -2.594) 10.569 21.587 ( 1.122 0.125 -0.222) 1.150 24.131 ( -11.388 -7.460 7.256) 15.427 25.080 ( 15.107 19.710 9.743) 26.676 25.283 ( -3.776 -14.230 -16.693) 22.257 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -1.800 -3.633 1.148) 4.214 2.566 ( -3.743 -6.004 0.166) 7.077 2.769 ( -1.847 3.612 -1.910) 4.484 2.938 ( -4.183 -0.166 3.450) 5.424 3.225 ( 1.732 -5.294 -4.377) 7.085 3.400 ( 0.843 8.131 1.658) 8.341 7.790 ( 2.045 0.691 -0.671) 2.260 7.907 ( 5.801 0.305 0.521) 5.832 8.788 ( 4.861 4.011 -0.109) 6.303 8.974 ( -2.397 -0.692 -0.965) 2.675 9.118 ( -0.326 5.208 0.522) 5.245 9.445 ( 15.749 1.855 0.707) 15.873 13.051 ( 1.598 0.498 -0.448) 1.733 13.267 ( 1.908 1.263 1.201) 2.584 13.342 ( 0.007 -0.428 -0.806) 0.913 15.689 ( -3.770 -0.511 0.187) 3.809 16.041 ( -1.851 -2.608 -0.304) 3.213 16.107 ( -2.244 2.437 -0.003) 3.313 16.686 ( 3.102 -0.458 1.008) 3.293 17.280 ( -9.636 -1.380 -0.969) 9.782 21.613 ( 1.480 0.643 -0.003) 1.613 23.903 ( -10.645 -7.846 5.662) 14.385 24.894 ( -12.408 -12.194 -11.449) 20.826 25.673 ( 22.899 17.300 5.921) 29.304 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -10.202 -2.614 1.545) 10.644 2.568 ( 4.325 -2.131 2.100) 5.259 2.755 ( -2.261 2.191 -1.732) 3.593 2.845 ( -9.041 2.002 0.893) 9.303 3.037 ( -9.353 -7.912 -0.872) 12.282 3.571 ( 6.196 5.354 0.091) 8.189 7.854 ( 1.846 4.633 1.528) 5.216 8.023 ( 5.599 1.772 1.465) 6.053 8.815 ( -1.443 -2.298 -0.634) 2.786 8.932 ( -1.801 1.445 -0.320) 2.331 9.147 ( -0.326 2.363 -1.138) 2.643 9.831 ( 17.125 14.986 -0.283) 22.758 13.077 ( 1.267 0.347 -0.662) 1.471 13.323 ( 1.882 1.003 -1.173) 2.433 13.352 ( 1.990 1.104 1.240) 2.591 15.635 ( -2.162 -0.687 1.114) 2.528 15.950 ( -4.168 -3.319 -0.186) 5.332 16.123 ( 1.376 1.185 -1.127) 2.137 16.692 ( -1.770 0.474 -2.669) 3.237 17.111 ( -7.047 -4.553 3.064) 8.932 21.646 ( 1.495 0.879 -0.100) 1.738 23.712 ( -7.054 -7.331 6.177) 11.902 24.473 ( -11.941 -15.256 -10.782) 22.172 26.251 ( 19.391 18.017 4.392) 26.831 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -9.086 2.453 3.825) 10.159 2.600 ( -10.267 0.605 0.876) 10.322 2.654 ( -1.320 1.382 0.609) 2.006 2.794 ( -8.865 -4.986 0.824) 10.204 2.799 ( -0.786 -0.317 2.242) 2.397 3.678 ( 1.377 2.746 0.116) 3.074 7.950 ( 1.118 6.047 2.664) 6.702 8.133 ( 2.726 2.831 1.586) 4.238 8.741 ( -1.966 -3.226 -0.737) 3.848 8.925 ( -1.178 1.248 0.663) 1.840 9.142 ( -0.285 -0.764 -0.973) 1.269 10.255 ( 12.782 19.903 -4.080) 24.003 13.093 ( 1.160 -0.006 -1.042) 1.559 13.334 ( 1.235 -1.403 -0.788) 2.029 13.437 ( 3.069 4.002 -0.010) 5.043 15.621 ( 0.275 -0.986 2.065) 2.305 15.848 ( -3.235 -3.107 -0.954) 4.586 16.149 ( 1.788 -0.126 -1.111) 2.109 16.622 ( -4.361 1.950 -3.311) 5.812 16.989 ( -5.228 -5.350 5.241) 9.134 21.676 ( 1.120 0.785 -0.449) 1.439 23.611 ( -2.429 -7.202 8.951) 11.742 24.076 ( -9.083 -13.709 -8.872) 18.686 26.710 ( 13.243 14.511 -0.232) 19.647 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -11.731 6.983 6.997) 15.341 2.340 ( -1.482 -1.314 1.929) 2.764 2.673 ( 3.024 6.428 5.445) 8.951 2.897 ( 1.220 1.515 3.751) 4.225 2.964 ( 2.414 0.766 5.054) 5.653 3.621 ( -5.692 1.634 -0.948) 5.998 7.983 ( -4.377 -1.921 -2.853) 5.567 8.091 ( -2.944 -3.909 -2.786) 5.631 8.775 ( 2.285 0.961 2.792) 3.734 8.956 ( 0.105 1.046 0.152) 1.062 9.136 ( 1.548 1.104 1.643) 2.513 10.200 ( -13.263 -13.551 -20.417) 27.864 13.073 ( -0.087 -0.872 -0.726) 1.138 13.315 ( 1.211 0.082 -0.528) 1.324 13.411 ( -3.670 -2.217 -1.945) 4.708 15.718 ( 2.847 -0.566 1.386) 3.216 15.909 ( 5.692 3.520 1.392) 6.836 16.142 ( -0.845 -0.272 1.599) 1.829 16.654 ( -5.135 -0.658 4.188) 6.659 16.982 ( 6.415 8.154 0.596) 10.392 21.661 ( -0.610 -0.664 -1.488) 1.740 23.629 ( 4.888 6.201 3.785) 8.756 24.095 ( 9.272 0.792 17.166) 19.526 26.638 ( -9.766 -8.520 -17.754) 21.981 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -11.756 7.020 8.554) 16.145 2.402 ( 2.999 3.502 3.093) 5.552 2.748 ( -4.604 3.014 4.681) 7.224 2.946 ( 1.006 0.766 3.726) 3.934 3.052 ( 0.937 1.966 4.187) 4.720 3.568 ( -1.310 2.593 -0.029) 2.905 7.873 ( -3.311 -3.008 -2.288) 5.025 7.981 ( -1.827 -5.822 -3.027) 6.811 8.836 ( 1.339 1.338 3.018) 3.563 8.959 ( -1.776 0.255 1.648) 2.437 9.191 ( 1.884 1.737 1.015) 2.756 9.607 ( -18.088 -22.374 -18.357) 34.128 13.052 ( -0.586 -1.371 -0.744) 1.666 13.315 ( -2.812 -2.336 -0.990) 3.788 13.344 ( 1.608 0.450 -0.726) 1.821 15.772 ( 3.201 -0.197 0.660) 3.274 16.035 ( 3.716 1.341 1.518) 4.232 16.146 ( 0.641 1.792 0.738) 2.041 16.572 ( -6.102 -0.332 2.673) 6.670 17.216 ( 8.372 10.561 1.208) 13.531 21.631 ( -0.584 -1.100 -1.502) 1.951 23.857 ( 8.596 9.765 4.217) 13.676 24.364 ( 5.039 4.020 16.036) 17.283 26.221 ( -9.585 -14.831 -18.335) 25.456 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -7.168 8.505 9.621) 14.706 2.506 ( -1.286 4.173 7.269) 8.480 2.695 ( -4.271 1.856 3.873) 6.057 2.971 ( -1.472 -1.813 1.448) 2.748 3.071 ( -0.529 1.715 0.686) 1.921 3.623 ( 3.384 2.122 -0.168) 3.997 7.785 ( -1.526 -4.161 -1.074) 4.561 7.886 ( -0.233 -5.989 -2.125) 6.359 8.787 ( -16.946 -15.848 -3.776) 23.507 8.890 ( 1.359 -0.293 3.615) 3.873 9.089 ( -3.847 -6.581 -6.724) 10.165 9.253 ( 1.575 0.865 0.513) 1.869 13.020 ( -0.815 -1.543 -0.593) 1.843 13.245 ( -1.806 -2.269 -0.919) 3.042 13.378 ( 1.793 0.808 -0.602) 2.057 15.834 ( 3.641 0.245 0.777) 3.731 16.064 ( -0.443 0.381 -0.237) 0.630 16.219 ( 3.454 2.899 -0.288) 4.518 16.481 ( -5.983 -0.740 2.712) 6.611 17.462 ( 6.862 10.860 0.528) 12.858 21.602 ( -0.342 -1.239 -1.307) 1.834 24.135 ( 8.704 7.931 6.400) 13.402 24.498 ( -5.713 6.274 7.812) 11.534 25.860 ( -0.553 -15.910 -13.706) 21.007 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -4.240 9.027 7.953) 12.756 2.502 ( -6.385 -0.741 13.816) 15.238 2.754 ( 2.223 4.625 1.155) 5.260 2.887 ( -2.537 -3.552 -1.426) 4.592 3.108 ( 1.477 2.326 -0.152) 2.759 3.669 ( 1.893 -1.219 -2.829) 3.616 7.724 ( -0.291 -4.640 0.307) 4.659 7.835 ( 1.854 -5.344 -0.088) 5.657 8.257 ( -14.493 -21.180 -2.879) 25.825 8.934 ( 1.310 -0.143 2.717) 3.020 9.043 ( -0.031 0.237 -0.666) 0.708 9.289 ( 0.688 1.460 0.227) 1.630 12.990 ( -0.542 -1.371 -0.254) 1.496 13.198 ( -0.761 -1.851 -0.684) 2.115 13.407 ( 1.051 0.796 -0.612) 1.453 15.907 ( 3.384 0.455 0.780) 3.503 16.057 ( -0.196 1.947 -2.395) 3.093 16.284 ( 1.411 2.037 -0.697) 2.574 16.396 ( -4.571 -1.804 3.585) 6.082 17.654 ( 3.435 9.898 -0.980) 10.523 21.579 ( -0.102 -1.046 -0.949) 1.416 24.360 ( 3.432 4.541 6.337) 8.519 24.424 ( -7.960 2.646 2.416) 8.729 25.718 ( 5.521 -9.591 -8.876) 14.187 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -0.069 6.378 4.285) 7.684 2.504 ( -2.735 -2.283 11.492) 12.031 2.745 ( -1.272 -3.264 1.966) 4.017 2.910 ( 2.525 3.257 0.327) 4.134 3.143 ( 0.300 1.798 -1.524) 2.376 3.632 ( -0.587 -2.489 -4.140) 4.866 7.687 ( -0.051 -3.454 1.348) 3.708 7.851 ( 3.089 -2.410 1.844) 4.330 7.908 ( -2.283 -17.163 1.657) 17.394 8.965 ( 1.219 -1.199 1.851) 2.520 9.045 ( -0.070 0.589 -0.200) 0.626 9.306 ( -0.452 1.340 0.000) 1.414 12.974 ( 0.082 -0.921 0.197) 0.945 13.174 ( 0.114 -1.225 -0.168) 1.242 13.420 ( -0.031 0.704 -0.575) 0.909 15.937 ( -0.502 0.161 -1.291) 1.395 16.082 ( 1.676 2.938 -2.112) 3.987 16.296 ( -0.691 0.586 0.958) 1.318 16.354 ( -1.124 -1.610 3.240) 3.789 17.751 ( -0.862 7.725 -3.257) 8.428 21.566 ( 0.050 -0.570 -0.469) 0.740 24.334 ( -1.361 4.822 -2.928) 5.803 24.482 ( 0.363 -4.374 11.139) 11.972 25.673 ( 1.537 -2.763 -8.109) 8.703 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 4.768 2.439 -2.142) 5.768 2.481 ( 1.184 -5.948 5.695) 8.319 2.775 ( 1.659 0.764 6.430) 6.684 2.953 ( 0.378 -0.864 1.103) 1.451 3.112 ( -2.822 -0.400 -3.680) 4.655 3.583 ( -1.497 1.505 -2.123) 3.002 7.676 ( 0.839 -1.510 1.233) 2.122 7.769 ( -0.123 -5.080 0.195) 5.085 8.015 ( 13.468 -3.864 8.244) 16.257 8.976 ( 1.242 -2.454 0.549) 2.804 9.049 ( -0.111 0.567 0.444) 0.728 9.300 ( -1.495 1.012 -0.265) 1.824 12.978 ( 0.756 -0.301 0.549) 0.982 13.176 ( 0.918 -0.509 0.599) 1.209 13.412 ( -1.116 0.574 -0.582) 1.384 15.893 ( -2.839 0.094 -2.328) 3.672 16.098 ( -1.201 1.258 -1.187) 2.106 16.305 ( -1.543 1.387 -0.550) 2.147 16.377 ( 4.150 -1.802 5.134) 6.843 17.731 ( -5.036 4.623 -5.640) 8.862 21.564 ( 0.240 0.045 0.068) 0.254 24.432 ( -0.742 -2.673 4.912) 5.642 24.464 ( 6.918 -0.455 1.788) 7.160 25.585 ( -5.653 1.522 -6.158) 8.497 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 1.796 -5.780 -2.650) 6.608 2.600 ( 9.706 -3.114 0.401) 10.201 2.826 ( -2.196 2.765 1.779) 3.954 2.926 ( 1.097 -7.878 2.048) 8.214 3.051 ( -0.910 2.874 -2.256) 3.766 3.565 ( -3.624 3.867 -0.645) 5.338 7.708 ( 2.300 0.939 1.083) 2.710 7.763 ( 1.913 -0.774 0.882) 2.245 8.352 ( 18.215 4.071 8.967) 20.707 8.970 ( 1.603 -3.189 -0.879) 3.675 9.068 ( 0.888 0.810 2.949) 3.184 9.273 ( -1.967 0.383 -0.740) 2.136 13.000 ( 1.226 0.302 0.663) 1.426 13.203 ( 1.643 0.213 1.360) 2.143 13.387 ( -1.866 0.392 -0.731) 2.042 15.823 ( -3.590 -0.145 -1.761) 4.002 16.070 ( -1.517 0.068 -1.213) 1.944 16.260 ( -4.127 0.555 0.032) 4.164 16.496 ( 6.789 -1.261 4.146) 8.055 17.603 ( -8.078 1.296 -7.051) 10.800 21.577 ( 0.578 0.638 0.521) 1.006 24.273 ( -9.440 -8.903 5.164) 13.966 24.736 ( 18.601 -1.603 -6.434) 19.747 25.468 ( -9.163 9.282 1.862) 13.175 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 5.003 -6.096 -1.024) 7.953 2.584 ( -3.798 -7.016 -1.814) 8.182 2.831 ( -1.941 3.911 -2.130) 4.858 2.938 ( 6.884 -6.195 3.330) 9.841 3.079 ( 2.054 0.175 -3.577) 4.128 3.523 ( -4.616 4.270 -0.142) 6.290 7.784 ( 2.173 4.354 2.206) 5.343 7.824 ( 4.596 0.866 0.885) 4.760 8.725 ( 9.556 6.395 2.667) 11.804 8.962 ( 1.565 -2.036 -1.633) 3.043 9.179 ( 1.833 5.375 5.275) 7.751 9.266 ( 7.368 0.926 2.857) 7.956 13.031 ( 1.339 0.629 0.589) 1.592 13.253 ( 2.200 1.107 1.717) 3.002 13.351 ( -1.743 0.149 -0.952) 1.991 15.749 ( -3.781 -0.196 -1.029) 3.923 16.037 ( -0.977 -0.935 -1.509) 2.027 16.185 ( -4.637 0.078 -0.032) 4.638 16.614 ( 5.509 -1.634 3.010) 6.487 17.405 ( -9.177 -1.684 -6.570) 11.411 21.603 ( 0.930 1.060 0.704) 1.576 24.036 ( -10.576 -8.174 2.197) 13.546 24.756 ( 0.388 -16.181 -11.483) 19.845 25.665 ( 9.123 22.431 9.586) 26.044 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -0.788 -3.790 -0.140) 3.874 2.453 ( 2.467 -5.944 0.299) 6.443 2.802 ( -2.502 2.049 -2.427) 4.043 2.981 ( -3.542 -0.780 2.731) 4.540 3.012 ( 0.293 -9.311 -5.021) 10.582 3.547 ( 2.315 5.736 -0.755) 6.232 7.888 ( 2.062 5.945 2.574) 6.799 7.946 ( 6.567 2.498 1.437) 7.171 8.808 ( -0.236 -1.159 -0.624) 1.337 8.958 ( -0.113 0.370 -1.182) 1.244 9.165 ( -1.875 -0.079 -1.560) 2.440 9.709 ( 18.833 17.646 8.551) 27.188 13.061 ( 0.965 0.548 0.408) 1.182 13.308 ( 0.467 1.088 -0.697) 1.374 13.338 ( 1.701 1.165 1.023) 2.302 15.679 ( -3.291 -0.356 -0.616) 3.367 15.983 ( -2.975 -2.458 -0.760) 3.933 16.124 ( -1.746 0.304 -1.031) 2.050 16.680 ( 2.103 -1.397 1.061) 2.739 17.194 ( -7.596 -4.125 -3.639) 9.378 21.636 ( 1.069 1.218 0.521) 1.703 23.807 ( -8.552 -6.944 2.203) 11.235 24.422 ( -9.278 -18.233 -8.021) 21.975 26.177 ( 16.021 21.652 6.061) 27.609 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -4.692 -0.679 0.922) 4.829 2.547 ( 8.514 -3.212 2.667) 9.483 2.722 ( -5.585 -5.003 -3.972) 8.486 2.832 ( -3.424 -1.302 -2.405) 4.382 2.933 ( -6.233 -2.831 4.168) 8.015 3.655 ( 4.258 4.234 -2.087) 6.357 7.998 ( 2.130 5.386 2.045) 6.142 8.098 ( 5.831 3.620 1.584) 7.044 8.750 ( -2.799 -2.764 -0.817) 4.018 8.950 ( -0.646 0.688 -0.642) 1.142 9.126 ( -0.379 -1.438 -1.821) 2.351 10.224 ( 13.375 20.550 1.723) 24.580 13.078 ( 0.400 0.287 0.090) 0.501 13.303 ( 0.434 -0.267 -1.380) 1.471 13.421 ( 3.274 3.393 0.655) 4.761 15.628 ( -1.479 -0.967 -0.064) 1.768 15.884 ( -4.540 -2.742 -0.161) 5.306 16.117 ( 0.991 0.291 -1.272) 1.639 16.673 ( -1.717 -0.029 -0.471) 1.780 17.035 ( -4.182 -5.432 0.334) 6.864 21.666 ( 0.866 1.084 0.011) 1.388 23.656 ( -4.455 -6.450 6.223) 10.008 24.039 ( -9.435 -15.354 -5.682) 18.896 26.644 ( 12.547 16.891 0.398) 21.045 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 3.505 -2.817 -0.558) 4.532 2.556 ( -9.234 1.722 5.749) 11.013 2.676 ( 6.809 4.997 2.154) 8.716 2.887 ( 3.279 0.124 2.670) 4.231 2.923 ( 5.825 -1.084 4.577) 7.487 3.685 ( -2.569 -0.233 -3.635) 4.457 8.007 ( -2.841 -2.561 -3.764) 5.366 8.081 ( -4.339 -4.537 -4.826) 7.918 8.754 ( 3.521 1.450 2.626) 4.626 8.938 ( 1.719 0.418 -2.062) 2.716 9.136 ( 1.412 1.741 1.245) 2.564 10.197 ( -14.575 -8.137 -21.015) 26.838 13.076 ( -0.968 0.154 -0.231) 1.007 13.296 ( 0.842 0.722 -0.997) 1.491 13.438 ( -3.409 -1.944 -2.248) 4.522 15.680 ( 2.248 -1.118 2.832) 3.785 15.870 ( 3.680 2.720 2.213) 5.083 16.164 ( -0.465 0.207 2.113) 2.173 16.752 ( -3.485 -1.555 5.721) 6.876 16.919 ( 7.734 4.591 -1.615) 9.138 21.661 ( -1.036 -0.236 -1.349) 1.718 23.626 ( 3.948 -0.114 8.910) 9.746 24.072 ( 9.630 7.028 13.663) 18.133 26.633 ( -11.825 -6.336 -17.810) 22.297 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 5.385 1.240 0.704) 5.571 2.434 ( -8.797 1.663 5.497) 10.506 2.825 ( 2.188 3.651 0.773) 4.326 2.954 ( 1.381 -0.621 3.386) 3.709 3.060 ( 4.987 2.840 5.570) 7.998 3.595 ( -3.061 -1.838 -3.514) 5.010 7.897 ( -4.434 -1.697 -3.862) 6.120 7.931 ( -2.661 -6.282 -4.219) 8.021 8.838 ( 2.220 1.177 2.993) 3.908 8.965 ( 2.001 0.539 -1.206) 2.398 9.187 ( 1.430 1.712 1.481) 2.677 9.646 ( -20.886 -13.553 -18.450) 30.989 13.055 ( -1.162 -0.168 -0.564) 1.303 13.317 ( 1.365 0.850 -0.676) 1.745 13.341 ( -3.506 -2.636 -1.181) 4.542 15.723 ( 2.600 -0.852 1.483) 3.112 15.986 ( 4.782 1.786 1.934) 5.458 16.166 ( -0.720 -0.060 1.912) 2.044 16.687 ( -5.503 -0.805 2.976) 6.308 17.138 ( 10.806 6.821 0.055) 12.779 21.628 ( -1.162 -0.580 -1.343) 1.868 23.812 ( 8.897 2.233 9.340) 13.091 24.422 ( 8.815 11.309 14.549) 20.427 26.169 ( -15.292 -12.876 -20.417) 28.575 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -5.847 3.132 6.746) 9.460 2.507 ( 6.594 4.828 1.097) 8.246 2.837 ( -3.967 0.934 1.666) 4.403 2.963 ( -0.286 -3.209 2.043) 3.814 3.141 ( -3.087 3.084 2.949) 5.267 3.547 ( 3.373 -2.450 -3.623) 5.523 7.782 ( -3.454 -2.321 -3.036) 5.151 7.826 ( -1.201 -4.536 -1.996) 5.100 8.883 ( -1.083 -3.465 3.675) 5.165 8.968 ( -10.136 -2.214 0.478) 10.386 9.050 ( -9.824 -7.904 -12.072) 17.456 9.244 ( 1.096 1.730 0.935) 2.251 13.027 ( -1.396 -0.377 -0.478) 1.523 13.258 ( -2.688 -2.254 -0.375) 3.528 13.350 ( 1.878 0.857 -0.588) 2.147 15.776 ( 3.550 -0.207 0.563) 3.600 16.063 ( 1.341 0.254 0.698) 1.533 16.184 ( 2.250 0.626 0.419) 2.372 16.595 ( -6.197 -0.969 2.535) 6.766 17.393 ( 10.826 6.966 -1.081) 12.919 21.596 ( -0.939 -0.618 -0.996) 1.502 24.068 ( 10.788 0.588 10.783) 15.265 24.729 ( -0.691 15.390 10.654) 18.730 25.663 ( -8.528 -16.099 -19.319) 26.555 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -3.148 4.450 5.584) 7.803 2.642 ( -0.687 0.393 5.613) 5.669 2.787 ( -0.981 3.607 1.822) 4.158 2.879 ( -3.921 -6.510 -2.076) 7.878 3.129 ( -1.442 2.330 1.568) 3.157 3.573 ( 4.237 -2.577 -4.506) 6.701 7.709 ( -1.534 -1.416 0.106) 2.090 7.769 ( -0.264 -3.295 -0.042) 3.306 8.419 ( -22.700 -12.496 0.135) 25.913 8.936 ( 0.580 0.872 1.242) 1.624 9.027 ( 1.237 0.104 -1.346) 1.831 9.287 ( 1.206 1.252 0.998) 2.005 12.997 ( -1.312 -0.384 0.026) 1.367 13.202 ( -1.702 -1.358 0.106) 2.180 13.386 ( 1.762 0.747 -0.518) 1.983 15.846 ( 4.230 0.269 -0.051) 4.239 16.064 ( -0.596 0.725 -1.352) 1.646 16.245 ( 3.670 0.453 -0.893) 3.804 16.494 ( -6.061 -1.994 3.213) 7.144 17.610 ( 8.594 5.593 -3.320) 10.777 21.573 ( -0.565 -0.332 -0.418) 0.777 24.305 ( 9.232 -3.325 11.568) 15.169 24.711 ( -17.886 7.497 -1.284) 19.436 25.466 ( 8.889 -4.893 -8.846) 13.462 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -4.209 1.760 0.945) 4.659 2.584 ( -4.217 -7.362 8.275) 11.852 2.734 ( -1.881 -5.386 -0.562) 5.733 2.897 ( 3.383 4.594 0.579) 5.734 3.148 ( 0.119 1.900 -0.805) 2.067 3.576 ( 2.044 -0.693 -3.934) 4.487 7.710 ( -0.640 2.072 4.666) 5.145 7.752 ( 1.711 -4.195 2.832) 5.343 8.003 ( -15.797 -6.813 3.963) 17.654 8.955 ( 0.313 -0.385 0.934) 1.057 9.036 ( 0.845 -0.099 -1.305) 1.558 9.319 ( 0.406 0.821 1.030) 1.378 12.978 ( -0.796 -0.140 0.718) 1.081 13.175 ( -0.838 -0.328 0.615) 1.090 13.414 ( 1.016 0.604 -0.421) 1.255 15.910 ( 2.798 0.061 -1.267) 3.072 16.061 ( 0.951 1.915 -2.778) 3.505 16.292 ( 2.121 0.141 -1.387) 2.538 16.402 ( -4.336 -2.914 4.476) 6.880 17.738 ( 4.794 3.123 -6.176) 8.419 21.565 ( -0.262 0.187 0.230) 0.396 24.433 ( -2.970 -2.624 0.167) 3.967 24.465 ( -3.305 -3.126 4.748) 6.576 25.583 ( 5.777 5.321 -3.438) 8.573 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.850 -3.349 -1.883) 3.935 2.437 ( -3.784 -11.615 0.803) 12.242 2.760 ( 4.116 -1.306 5.483) 6.980 2.941 ( -0.325 -1.442 -0.357) 1.520 3.139 ( -1.824 1.312 -2.663) 3.484 3.600 ( 1.150 3.774 -1.838) 4.353 7.744 ( -0.521 0.766 2.400) 2.573 7.769 ( -7.184 -1.126 10.516) 12.785 7.880 ( 6.730 1.680 6.477) 9.490 8.949 ( -0.136 -1.588 -0.228) 1.610 9.042 ( 1.039 -0.304 -0.735) 1.308 9.329 ( -0.784 0.437 1.149) 1.458 12.979 ( -0.086 0.305 1.353) 1.389 13.174 ( -0.054 0.546 1.139) 1.264 13.425 ( -0.101 0.461 -0.325) 0.573 15.909 ( -0.894 -0.047 -2.975) 3.107 16.092 ( 1.750 1.310 -2.916) 3.644 16.307 ( 1.004 -0.022 0.117) 1.011 16.362 ( -0.668 -2.595 4.299) 5.066 17.749 ( 0.355 0.252 -8.947) 8.957 21.570 ( -0.102 0.758 0.803) 1.109 24.344 ( 1.685 1.333 -4.796) 5.255 24.461 ( -0.814 -8.987 6.275) 10.991 25.677 ( -1.442 8.144 0.175) 8.273 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -0.506 -8.152 -4.473) 9.313 2.357 ( 9.979 -10.311 -0.451) 14.356 2.837 ( 2.241 -5.623 0.917) 6.122 2.881 ( -1.767 -0.256 0.264) 1.804 3.096 ( -2.402 1.260 -1.206) 2.969 3.634 ( -0.953 3.637 -1.953) 4.237 7.725 ( -0.714 -0.669 4.190) 4.303 7.782 ( -1.409 4.829 3.481) 6.117 8.195 ( 14.621 8.188 14.269) 22.009 8.920 ( 0.038 -2.510 -1.360) 2.855 9.064 ( 1.935 0.077 1.441) 2.414 9.315 ( -2.180 0.108 1.262) 2.522 12.998 ( 0.475 0.770 1.767) 1.985 13.198 ( 0.774 1.148 1.546) 2.076 13.415 ( -1.311 0.305 -0.364) 1.394 15.858 ( -2.387 -0.233 -2.863) 3.734 16.084 ( -1.039 -0.067 -2.396) 2.613 16.310 ( -1.608 0.162 -0.971) 1.885 16.404 ( 5.009 -2.270 4.928) 7.384 17.644 ( -3.610 -2.192 -10.747) 11.547 21.586 ( 0.063 1.210 1.202) 1.707 24.333 ( -5.418 -7.905 -0.738) 9.612 24.439 ( 10.053 -1.786 -3.745) 10.876 25.717 ( -5.566 10.747 5.888) 13.459 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 4.533 -9.600 -2.637) 10.939 2.443 ( 10.260 -9.271 -4.638) 14.585 2.757 ( 1.524 -7.505 -0.006) 7.659 2.886 ( -1.394 1.844 -2.342) 3.290 3.074 ( -0.676 -0.731 -0.233) 1.022 3.605 ( -2.799 0.894 -2.366) 3.772 7.770 ( 2.918 1.260 1.889) 3.697 7.845 ( 0.082 5.666 3.562) 6.693 8.640 ( 12.889 10.053 8.189) 18.282 8.892 ( 1.412 -2.897 -1.578) 3.589 9.180 ( 8.106 4.907 7.463) 12.061 9.277 ( -3.372 0.799 3.068) 4.629 13.030 ( 0.677 1.051 1.900) 2.275 13.243 ( 1.679 1.588 1.799) 2.928 13.383 ( -2.186 0.150 -0.622) 2.277 15.794 ( -2.830 -0.222 -2.075) 3.516 16.040 ( -1.635 -0.396 -2.422) 2.949 16.254 ( -3.801 -0.803 -0.503) 3.918 16.513 ( 6.365 -2.330 3.816) 7.778 17.455 ( -6.199 -3.887 -10.978) 13.193 21.611 ( 0.309 1.452 1.329) 1.993 24.118 ( -8.429 -6.671 -4.675) 11.722 24.511 ( 5.476 -10.209 -4.590) 12.461 25.852 ( 0.794 17.373 10.190) 20.157 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 9.593 -7.887 -0.738) 12.441 2.402 ( 0.005 -8.054 -4.237) 9.100 2.785 ( 7.794 -8.325 -1.668) 11.526 2.847 ( -1.456 1.207 -3.276) 3.783 3.019 ( -2.278 -3.682 -2.310) 4.908 3.565 ( -0.348 0.807 -1.360) 1.619 7.864 ( 5.133 1.841 0.550) 5.481 7.944 ( 1.896 6.260 3.236) 7.298 8.795 ( 0.351 -0.370 -0.481) 0.701 8.916 ( 3.524 -0.441 -1.603) 3.897 9.196 ( -3.384 -1.417 -1.114) 3.834 9.661 ( 17.496 19.745 15.977) 30.842 13.063 ( 0.462 1.055 1.767) 2.110 13.307 ( 1.937 1.892 1.494) 3.093 13.343 ( -1.470 0.335 -0.654) 1.644 15.727 ( -3.399 -0.025 -1.990) 3.939 15.993 ( -1.525 -0.891 -2.179) 2.805 16.170 ( -4.108 -1.069 -0.283) 4.255 16.611 ( 5.011 -2.693 3.126) 6.491 17.230 ( -6.577 -5.123 -9.296) 12.486 21.641 ( 0.491 1.465 1.112) 1.903 23.880 ( -7.973 -4.826 -5.792) 10.973 24.343 ( -5.736 -17.223 -0.912) 18.176 26.211 ( 10.101 21.053 7.710) 24.590 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 1.067 -3.377 -3.259) 4.813 2.338 ( 10.749 -7.366 2.458) 13.260 2.697 ( -3.341 -8.963 -5.379) 10.974 2.834 ( -0.222 -0.735 -3.035) 3.130 2.959 ( 0.904 -4.539 1.201) 4.781 3.601 ( 3.815 1.951 -2.108) 4.775 7.979 ( 5.399 2.103 -0.023) 5.794 8.067 ( 3.711 5.099 1.822) 6.564 8.760 ( -1.680 -2.206 -0.551) 2.828 8.944 ( 1.256 -0.225 -1.304) 1.825 9.116 ( -2.335 -1.779 -2.085) 3.601 10.228 ( 13.452 21.031 7.064) 25.945 13.086 ( -0.138 0.870 1.414) 1.666 13.299 ( -1.078 0.231 -1.374) 1.761 13.403 ( 3.270 2.883 1.393) 4.577 15.653 ( -3.150 -0.322 -2.399) 3.972 15.931 ( -3.329 -1.829 -0.384) 3.818 16.114 ( -1.222 0.195 -0.387) 1.296 16.666 ( 2.098 -2.224 2.547) 3.979 17.031 ( -3.950 -5.929 -5.707) 9.128 21.669 ( 0.424 1.271 0.548) 1.447 23.701 ( -4.627 -3.516 -1.935) 6.125 24.032 ( -9.735 -16.990 2.484) 19.738 26.627 ( 10.316 18.260 1.618) 21.035 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 7.175 -5.660 -1.938) 9.342 2.550 ( 10.665 0.095 -3.150) 11.121 2.684 ( 2.457 2.178 5.545) 6.444 2.819 ( 3.597 -3.389 2.277) 5.441 2.843 ( 4.465 -1.622 4.554) 6.581 3.664 ( 0.881 -0.867 -4.080) 4.263 7.970 ( -0.457 -4.649 -3.997) 6.148 8.088 ( -3.573 -2.372 -5.042) 6.619 8.728 ( 2.782 1.988 1.815) 3.871 8.893 ( 1.535 -0.222 -2.816) 3.215 9.134 ( 2.046 2.528 0.698) 3.326 10.247 ( -14.061 -3.602 -21.282) 25.761 13.105 ( -1.906 0.761 0.118) 2.055 13.289 ( 0.350 1.610 -1.431) 2.182 13.456 ( -2.707 -1.822 -2.496) 4.108 15.658 ( 1.686 -0.722 3.537) 3.984 15.869 ( 0.757 1.076 3.128) 3.393 16.190 ( -0.388 0.618 2.239) 2.355 16.786 ( 3.982 0.315 -5.593) 6.873 16.823 ( 3.413 -1.008 9.891) 10.511 21.672 ( -1.261 0.154 -1.119) 1.693 23.618 ( 1.590 -4.740 11.167) 12.235 24.083 ( 9.506 11.340 10.684) 18.252 26.675 ( -12.512 -4.342 -16.740) 21.345 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 8.416 0.142 0.095) 8.418 2.569 ( -3.227 -3.178 2.274) 5.069 2.785 ( 3.764 1.951 -1.114) 4.383 2.903 ( 5.919 -0.752 1.310) 6.108 3.006 ( 8.637 1.847 7.028) 11.287 3.601 ( -3.171 -2.564 -4.205) 5.858 7.881 ( -1.511 -4.365 -3.191) 5.614 7.953 ( -5.699 -0.782 -5.017) 7.633 8.822 ( 3.379 1.800 2.494) 4.569 8.907 ( 2.606 0.121 -3.270) 4.183 9.190 ( 1.270 1.447 1.377) 2.367 9.781 ( -19.133 -5.105 -18.058) 26.800 13.078 ( -1.749 0.514 -0.554) 1.905 13.305 ( 0.667 1.552 -1.155) 2.046 13.366 ( -3.307 -2.735 -1.265) 4.474 15.689 ( 1.441 -1.780 2.852) 3.658 15.943 ( 3.616 1.370 2.370) 4.535 16.190 ( -1.069 -0.936 2.060) 2.503 16.768 ( -2.638 -0.788 0.676) 2.835 17.008 ( 10.223 2.970 2.967) 11.052 21.641 ( -1.548 -0.024 -1.153) 1.930 23.733 ( 7.307 -2.919 11.174) 13.666 24.465 ( 11.446 14.363 10.923) 21.368 26.218 ( -18.467 -9.668 -18.623) 27.953 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 8.527 3.770 1.640) 9.466 2.501 ( -3.982 0.020 3.382) 5.224 2.827 ( 2.527 -1.617 -1.598) 3.399 2.959 ( 0.670 -2.764 2.619) 3.866 3.208 ( 5.179 5.177 2.606) 7.772 3.464 ( -3.708 -5.303 -4.367) 7.806 7.803 ( -2.407 -1.285 -1.461) 3.095 7.834 ( -4.363 0.451 -3.266) 5.469 8.883 ( 0.948 -0.775 2.585) 2.861 8.944 ( 3.327 0.494 -3.570) 4.905 9.178 ( -7.303 -5.444 -2.386) 9.416 9.336 ( -14.153 3.044 -5.340) 15.430 13.050 ( -1.640 0.411 -0.677) 1.821 13.282 ( -2.803 -2.274 -0.157) 3.613 13.329 ( 1.154 1.234 -0.675) 1.820 15.722 ( 2.648 -1.187 1.291) 3.176 16.030 ( 3.560 0.876 1.021) 3.806 16.168 ( -0.574 -2.122 0.910) 2.379 16.698 ( -5.104 -1.272 1.699) 5.527 17.241 ( 11.700 3.427 -0.150) 12.193 21.608 ( -1.436 0.056 -0.754) 1.623 23.935 ( 10.818 -3.712 11.258) 16.049 24.877 ( 11.649 15.643 8.086) 21.114 25.646 ( -21.595 -11.209 -17.260) 29.831 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -2.459 0.563 4.226) 4.922 2.606 ( 6.455 2.000 0.118) 6.759 2.829 ( 0.903 0.178 -1.706) 1.938 2.892 ( -5.676 -5.447 1.315) 7.977 3.230 ( -6.465 0.696 2.408) 6.934 3.424 ( 6.819 -1.760 -4.792) 8.518 7.750 ( -3.101 1.745 -0.747) 3.636 7.786 ( -1.852 1.920 1.091) 2.882 8.717 ( -20.303 -6.687 0.981) 21.398 8.932 ( 1.146 0.697 -2.920) 3.213 9.012 ( -0.878 1.295 0.698) 1.714 9.303 ( -0.642 2.513 2.079) 3.324 13.023 ( -1.593 0.424 -0.117) 1.653 13.226 ( -2.041 -1.008 0.687) 2.377 13.360 ( 1.663 0.893 -0.491) 1.950 15.774 ( 3.892 -0.373 -0.328) 3.924 16.072 ( -0.210 0.359 -0.099) 0.428 16.166 ( 3.576 -1.995 -1.075) 4.233 16.597 ( -6.093 -2.231 2.526) 6.962 17.451 ( 10.845 1.856 -3.533) 11.556 21.586 ( -1.028 0.397 -0.053) 1.103 24.151 ( 11.163 -5.976 9.908) 16.078 25.073 ( -17.913 -12.383 -15.004) 26.445 25.262 ( 7.275 18.532 6.614) 20.979 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -4.057 -2.834 -0.004) 4.948 2.595 ( -3.028 -7.855 -1.238) 8.509 2.723 ( -4.572 -6.720 2.289) 8.444 2.890 ( 2.964 4.041 -0.972) 5.104 3.168 ( -1.538 -1.102 0.965) 2.124 3.505 ( 4.549 3.138 -2.981) 6.278 7.732 ( -0.659 0.294 1.822) 1.960 7.814 ( -1.652 6.363 3.986) 7.688 8.335 ( -21.712 -0.739 7.672) 23.039 8.946 ( 1.154 -0.262 -0.834) 1.447 9.011 ( -0.129 -0.043 -1.279) 1.286 9.333 ( -0.061 1.106 2.918) 3.121 13.005 ( -1.322 0.609 0.795) 1.658 13.201 ( -1.376 0.503 1.283) 1.948 13.394 ( 1.645 0.581 -0.318) 1.773 15.836 ( 4.250 -0.116 -1.977) 4.689 16.054 ( -0.529 0.092 -1.751) 1.832 16.217 ( 4.488 -0.872 -2.057) 5.013 16.488 ( -5.730 -3.228 3.887) 7.640 17.586 ( 8.315 -1.034 -7.179) 11.034 21.581 ( -0.579 0.886 0.710) 1.275 24.302 ( 8.181 -8.002 4.536) 12.310 24.624 ( -13.526 -7.005 -7.339) 16.908 25.577 ( 5.230 15.785 4.478) 17.222 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -4.795 -11.579 -3.421) 12.991 2.401 ( -6.182 -11.817 -1.356) 13.405 2.703 ( 3.157 -2.445 3.138) 5.079 2.927 ( 0.215 -0.790 -1.273) 1.514 3.147 ( -0.039 -0.935 -1.803) 2.032 3.597 ( 2.692 5.344 -1.996) 6.308 7.747 ( 0.323 -1.161 3.956) 4.136 7.896 ( -0.066 4.356 4.104) 5.985 8.115 ( -15.509 10.701 15.002) 24.086 8.942 ( -0.714 -1.057 -0.625) 1.420 9.001 ( 1.479 -1.015 -2.214) 2.850 9.358 ( -0.609 0.270 3.894) 3.951 13.003 ( -0.760 1.028 1.689) 2.118 13.203 ( -0.928 1.613 1.670) 2.500 13.420 ( 0.964 0.366 -0.087) 1.035 15.874 ( 2.294 -0.370 -3.719) 4.385 16.048 ( 1.485 0.224 -2.918) 3.282 16.265 ( 3.246 -0.132 -1.873) 3.750 16.402 ( -3.679 -3.569 5.201) 7.303 17.615 ( 4.931 -4.181 -10.473) 12.308 21.592 ( -0.312 1.333 1.294) 1.884 24.294 ( 0.984 -5.054 -7.305) 8.937 24.423 ( -2.237 -6.302 3.115) 7.377 25.806 ( 0.560 13.567 6.113) 14.891 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 4.452 -15.844 -2.724) 16.681 2.166 ( -4.238 -13.130 -3.128) 14.147 2.752 ( 2.859 -3.359 -0.019) 4.411 2.890 ( -0.851 -1.911 -0.554) 2.164 3.114 ( -0.640 -1.470 -3.132) 3.518 3.648 ( 0.314 2.355 -3.224) 4.005 7.758 ( -0.899 -1.178 4.307) 4.555 7.898 ( -2.977 1.974 3.724) 5.160 8.285 ( 1.349 19.350 17.890) 26.387 8.899 ( -1.269 -1.943 -1.827) 2.953 9.021 ( 3.156 -0.641 -0.209) 3.228 9.369 ( -1.823 -0.037 5.654) 5.941 13.021 ( -0.212 1.474 2.418) 2.840 13.221 ( -0.404 2.146 1.725) 2.783 13.430 ( -0.248 0.191 0.092) 0.326 15.857 ( -0.418 -0.471 -4.267) 4.313 16.058 ( 1.584 -0.332 -3.301) 3.676 16.302 ( 1.841 0.419 -1.375) 2.336 16.367 ( -0.168 -3.422 5.468) 6.453 17.539 ( 1.536 -6.387 -12.662) 14.265 21.612 ( -0.214 1.583 1.595) 2.258 24.264 ( 4.894 -1.960 -6.138) 8.092 24.327 ( -3.025 -6.588 -2.204) 7.576 25.954 ( -3.374 11.937 9.993) 15.929 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 2.018 -15.515 -1.420) 15.710 2.070 ( 12.974 -13.911 -5.932) 19.926 2.702 ( -1.560 -5.346 -1.425) 5.749 2.883 ( 0.964 -0.451 -1.783) 2.076 3.054 ( -0.597 -3.662 -4.335) 5.706 3.613 ( -1.515 -1.868 -3.423) 4.184 7.767 ( 0.245 0.302 2.489) 2.519 7.922 ( -0.412 3.396 3.478) 4.879 8.643 ( 6.368 13.821 9.296) 17.832 8.847 ( -0.542 -2.562 -1.984) 3.285 9.128 ( 7.141 4.098 3.131) 8.809 9.390 ( -1.943 2.914 12.638) 13.115 13.054 ( 0.028 1.718 2.911) 3.380 13.254 ( 0.477 2.250 1.616) 2.811 13.415 ( -1.632 -0.008 0.001) 1.632 15.810 ( -1.355 -0.284 -3.415) 3.685 16.042 ( -0.639 -0.311 -2.995) 3.078 16.289 ( -1.917 -0.838 -1.015) 2.326 16.416 ( 4.805 -2.665 4.397) 7.037 17.385 ( -1.421 -7.167 -13.368) 15.234 21.635 ( -0.106 1.605 1.624) 2.286 24.142 ( -6.673 -3.955 -9.395) 12.183 24.314 ( 6.039 -6.106 -2.652) 8.988 26.095 ( -2.332 13.407 13.097) 18.887 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 9.200 -12.840 -1.196) 15.841 2.133 ( 13.377 -13.686 -7.285) 20.477 2.636 ( 1.515 -4.550 -0.214) 4.800 2.851 ( -1.501 -2.131 -4.477) 5.181 2.959 ( -0.169 -6.618 -6.472) 9.258 3.550 ( -0.422 -2.783 -0.925) 2.963 7.812 ( 3.038 1.213 0.349) 3.290 7.986 ( 1.377 3.497 2.560) 4.547 8.787 ( -0.355 -0.509 -0.544) 0.825 8.837 ( 3.767 0.542 -1.358) 4.041 9.216 ( -0.857 -0.880 -1.462) 1.910 9.726 ( 12.334 19.931 22.192) 32.278 13.090 ( -0.157 1.729 3.077) 3.533 13.305 ( 1.698 2.199 1.699) 3.257 13.376 ( -2.479 -0.109 -0.440) 2.521 15.762 ( -2.157 0.334 -2.764) 3.522 15.997 ( -1.699 -0.170 -3.102) 3.541 16.224 ( -3.569 -1.415 -0.249) 3.847 16.509 ( 5.836 -3.015 3.743) 7.560 17.184 ( -3.493 -7.235 -12.554) 14.905 21.660 ( 0.044 1.450 1.393) 2.011 23.915 ( -7.432 -1.989 -12.103) 14.342 24.263 ( -1.456 -13.210 2.230) 13.476 26.342 ( 4.171 17.274 11.044) 20.923 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 14.925 -9.237 -0.448) 17.558 2.131 ( 7.634 -12.323 -6.146) 15.745 2.632 ( -1.365 -5.166 -2.057) 5.726 2.749 ( 4.744 -7.446 -6.194) 10.785 2.875 ( 0.505 -3.574 -3.523) 5.044 3.545 ( 2.209 -1.378 0.334) 2.625 7.895 ( 5.312 1.335 -1.169) 5.600 8.064 ( 2.629 2.355 1.053) 3.683 8.756 ( -0.615 -1.881 -0.394) 2.018 8.889 ( 3.172 -0.336 -1.651) 3.592 9.143 ( -3.848 -2.059 -1.424) 4.591 10.277 ( 11.871 21.055 11.213) 26.645 13.119 ( -0.702 1.577 2.781) 3.273 13.323 ( -2.283 0.086 -0.791) 2.418 13.386 ( 2.987 2.489 1.654) 4.225 15.695 ( -3.825 0.561 -3.610) 5.289 15.951 ( -1.412 -0.399 -1.899) 2.400 16.155 ( -3.078 -0.428 0.849) 3.222 16.597 ( 5.005 -3.278 4.061) 7.231 16.975 ( -3.210 -7.283 -10.068) 12.834 21.682 ( 0.069 1.191 0.882) 1.484 23.723 ( -4.710 -0.204 -9.016) 10.174 24.056 ( -7.932 -16.598 7.589) 19.900 26.676 ( 6.936 17.566 4.183) 19.344 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 13.335 -7.664 -1.780) 15.483 2.264 ( 17.118 -2.497 -8.093) 19.098 2.583 ( 12.529 -0.790 6.876) 14.314 2.752 ( 3.921 -4.233 4.105) 7.082 2.808 ( 0.679 -1.152 1.759) 2.209 3.604 ( 2.391 -0.794 -2.247) 3.376 7.892 ( 1.205 -4.185 -3.684) 5.704 8.074 ( -0.147 -1.005 -3.778) 3.913 8.732 ( 0.419 1.902 1.572) 2.502 8.844 ( 1.423 -1.244 -2.241) 2.932 9.132 ( 1.822 3.339 0.761) 3.879 10.319 ( -12.919 0.384 -21.664) 25.226 13.153 ( -2.571 0.988 -0.260) 2.766 13.298 ( -0.250 2.401 -1.398) 2.789 13.459 ( -1.838 -2.167 -2.494) 3.781 15.659 ( 0.441 0.372 3.400) 3.449 15.899 ( -1.059 -0.531 3.677) 3.863 16.218 ( -0.617 0.284 2.066) 2.175 16.646 ( 6.564 0.595 -6.027) 8.931 16.826 ( 3.643 -3.089 11.296) 12.264 21.689 ( -1.150 0.311 -0.905) 1.496 23.638 ( -1.830 -6.200 11.140) 12.880 24.097 ( 9.519 10.928 8.538) 16.821 26.748 ( -11.980 -2.073 -15.450) 19.660 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 12.364 -0.417 1.592) 12.473 2.455 ( 11.352 -2.551 -4.288) 12.401 2.769 ( 5.585 0.459 0.174) 5.607 2.780 ( 1.854 -2.071 1.301) 3.069 2.909 ( 8.880 -0.931 8.427) 12.277 3.593 ( -0.790 -1.452 -2.711) 3.176 7.846 ( -0.198 -1.991 -2.236) 3.001 8.006 ( -3.962 0.453 -4.138) 5.746 8.801 ( 3.005 2.893 1.809) 4.547 8.847 ( 1.856 -0.665 -2.655) 3.307 9.189 ( 1.177 0.827 1.393) 2.002 9.947 ( -15.880 2.597 -18.513) 24.529 13.114 ( -2.283 0.661 -1.045) 2.597 13.311 ( -0.067 2.516 -1.480) 2.920 13.380 ( -2.558 -2.955 -1.346) 4.134 15.678 ( 0.113 -2.162 3.795) 4.369 15.925 ( 1.510 0.428 2.810) 3.219 16.209 ( -1.151 -1.702 1.585) 2.595 16.731 ( 5.164 1.982 -6.301) 8.384 16.937 ( 4.290 -2.147 11.684) 12.630 21.662 ( -1.556 0.325 -1.025) 1.891 23.673 ( 3.512 -4.567 10.789) 12.231 24.438 ( 12.325 9.419 5.898) 16.595 26.357 ( -17.963 -3.461 -14.665) 23.446 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 10.668 3.670 2.206) 11.496 2.525 ( 2.589 -2.780 -0.036) 3.799 2.771 ( 0.485 -0.680 -0.114) 0.843 2.891 ( 6.158 -2.787 2.702) 7.279 3.105 ( 9.412 1.765 0.438) 9.586 3.507 ( -5.540 -2.328 -1.362) 6.162 7.830 ( -0.723 2.062 0.078) 2.187 7.912 ( -5.290 2.409 -3.586) 6.830 8.855 ( 1.983 -1.160 -1.375) 2.677 8.891 ( 2.600 2.292 0.339) 3.482 9.188 ( -1.199 -3.596 0.903) 3.897 9.622 ( -16.678 8.805 -9.686) 21.202 13.078 ( -1.745 0.597 -1.133) 2.165 13.303 ( -2.251 -2.006 -0.179) 3.020 13.329 ( 0.044 1.782 -0.843) 1.972 15.684 ( 1.098 -2.335 2.476) 3.576 15.984 ( 3.120 0.498 1.163) 3.367 16.167 ( -1.640 -3.412 0.876) 3.886 16.747 ( -0.937 -0.406 -1.844) 2.108 17.094 ( 8.389 -0.154 5.102) 9.820 21.633 ( -1.594 0.520 -0.694) 1.815 23.797 ( 8.005 -4.739 9.768) 13.490 24.740 ( 14.096 0.454 -1.860) 14.225 25.927 ( -22.116 4.266 -7.386) 23.704 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 4.193 -4.117 1.364) 6.032 2.550 ( 2.283 3.386 -0.022) 4.084 2.783 ( 2.263 0.751 -2.388) 3.374 2.921 ( -1.312 -5.296 3.738) 6.614 3.245 ( 6.232 -3.526 -4.941) 8.700 3.378 ( -5.690 2.995 2.382) 6.857 7.834 ( -4.784 3.452 -2.387) 6.363 7.864 ( -0.942 5.930 2.237) 6.407 8.866 ( 0.831 -3.154 1.129) 3.452 8.901 ( -3.090 0.316 -2.217) 3.816 9.101 ( -4.875 -0.383 0.588) 4.926 9.456 ( -10.801 10.321 0.655) 14.953 13.053 ( -1.357 0.730 -0.467) 1.610 13.257 ( -1.755 -0.702 1.065) 2.169 13.347 ( 0.657 1.481 -0.650) 1.746 15.707 ( 2.704 -1.390 0.195) 3.047 16.052 ( 3.989 0.260 -0.380) 4.015 16.104 ( -1.572 -4.071 0.047) 4.364 16.681 ( -4.516 -2.181 1.063) 5.126 17.260 ( 9.537 -0.901 -1.007) 9.632 21.613 ( -1.254 0.892 -0.003) 1.539 23.960 ( 10.169 -5.976 6.622) 13.526 24.812 ( 7.152 -16.597 -11.725) 21.543 25.703 ( -15.921 21.962 5.237) 27.627 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -1.283 -9.738 -1.854) 9.995 2.585 ( -1.804 1.110 -1.527) 2.611 2.773 ( -7.059 -8.384 0.804) 10.990 2.850 ( 3.328 2.611 -3.016) 5.196 3.157 ( -1.278 -8.584 0.308) 8.684 3.475 ( 3.604 8.504 0.094) 9.237 7.789 ( -3.288 3.303 -0.606) 4.700 7.933 ( -1.203 7.278 3.174) 8.030 8.732 ( -13.904 1.513 7.340) 15.795 8.893 ( 2.208 -0.353 -2.851) 3.624 9.051 ( -3.710 2.408 -0.198) 4.428 9.424 ( -5.738 6.017 5.627) 10.039 13.040 ( -1.179 0.975 0.596) 1.642 13.245 ( -1.274 1.416 1.776) 2.604 13.371 ( 1.283 0.793 -0.359) 1.550 15.747 ( 3.808 -0.669 -2.407) 4.555 16.041 ( -0.205 -4.282 -1.056) 4.415 16.121 ( 3.952 0.986 -1.229) 4.255 16.578 ( -5.664 -3.277 2.930) 7.170 17.370 ( 8.362 -3.646 -5.919) 10.874 21.609 ( -0.756 1.322 0.787) 1.714 24.087 ( 9.257 -6.964 -1.037) 11.631 24.593 ( -2.103 -16.974 -6.196) 18.191 25.823 ( -5.198 24.115 7.778) 25.866 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -6.807 -14.274 -5.707) 16.812 2.420 ( -10.263 -10.916 -0.280) 14.985 2.659 ( 0.601 -2.164 0.678) 2.346 2.895 ( 1.681 -0.030 -2.724) 3.201 3.082 ( 1.647 -6.858 -2.202) 7.389 3.601 ( 2.205 6.275 -1.001) 6.725 7.778 ( -1.466 1.989 1.328) 2.805 7.987 ( -2.140 4.259 2.905) 5.582 8.616 ( -14.147 12.359 13.024) 22.858 8.908 ( 2.338 -1.392 -2.063) 3.414 8.998 ( -3.909 1.550 -1.882) 4.607 9.439 ( -3.843 3.394 9.143) 10.482 13.042 ( -0.860 1.508 1.645) 2.391 13.257 ( -1.402 2.891 2.047) 3.810 13.401 ( 1.578 0.333 0.033) 1.613 15.784 ( 3.900 -0.668 -4.803) 6.223 16.003 ( 1.029 -2.915 -1.759) 3.557 16.190 ( 3.934 1.142 -1.751) 4.455 16.474 ( -5.008 -3.833 4.672) 7.848 17.390 ( 6.205 -6.927 -9.796) 13.507 21.622 ( -0.387 1.618 1.370) 2.155 24.108 ( 6.063 -6.211 -10.793) 13.850 24.412 ( -1.721 -11.249 3.437) 11.888 26.032 ( -2.701 19.535 8.387) 21.431 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -4.349 -18.276 -4.306) 19.274 2.114 ( -8.592 -16.348 -0.756) 18.484 2.676 ( 2.519 -1.243 -1.639) 3.253 2.871 ( -0.590 -3.194 -1.074) 3.421 3.032 ( 2.387 -5.619 -6.404) 8.848 3.644 ( -0.227 1.435 -2.766) 3.125 7.787 ( -0.570 0.222 2.477) 2.552 7.981 ( -3.108 0.877 3.125) 4.494 8.674 ( -7.564 18.028 11.761) 22.815 8.903 ( -1.565 -1.060 -1.521) 2.427 8.958 ( 1.462 1.297 -1.440) 2.427 9.481 ( -3.740 3.293 14.255) 15.101 13.062 ( -0.490 2.125 2.527) 3.338 13.275 ( -1.505 3.233 1.657) 3.932 13.428 ( 0.907 0.168 0.598) 1.099 15.798 ( 2.622 -0.721 -6.014) 6.600 15.995 ( 2.149 -1.609 -2.258) 3.508 16.252 ( 3.292 1.053 -1.592) 3.806 16.400 ( -3.152 -3.799 5.599) 7.465 17.323 ( 4.144 -9.315 -12.302) 15.977 21.643 ( -0.258 1.651 1.596) 2.311 24.086 ( 6.493 -3.668 -10.466) 12.851 24.309 ( -2.612 -7.262 0.220) 7.721 26.213 ( -3.549 15.018 11.163) 19.047 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 6.083 -21.160 -0.998) 22.040 1.824 ( -3.416 -17.327 -3.366) 17.978 2.660 ( -0.253 -3.811 -3.849) 5.423 2.830 ( 1.393 -3.430 -1.695) 4.071 2.951 ( 1.004 -6.876 -8.936) 11.319 3.597 ( -1.830 -2.632 -2.517) 4.075 7.788 ( -0.741 -0.625 2.024) 2.244 7.969 ( -0.919 0.447 2.849) 3.027 8.775 ( -1.554 6.497 1.390) 6.824 8.842 ( -2.874 -0.064 -1.394) 3.195 9.073 ( 5.922 6.799 0.802) 9.052 9.595 ( -2.622 8.573 23.793) 25.426 13.098 ( -0.308 2.445 3.205) 4.043 13.293 ( -0.957 2.884 1.008) 3.201 13.437 ( -0.636 -0.066 0.922) 1.122 15.785 ( 0.934 -0.056 -5.269) 5.351 16.007 ( 1.934 -0.733 -2.454) 3.209 16.289 ( 0.729 0.128 -1.450) 1.628 16.372 ( 0.333 -3.332 5.287) 6.258 17.198 ( 2.476 -9.893 -13.337) 16.789 21.664 ( -0.229 1.453 1.526) 2.120 24.119 ( 6.558 -3.737 -6.854) 10.196 24.162 ( -4.749 -3.444 -7.381) 9.428 26.364 ( -3.750 12.278 14.493) 19.361 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 6.648 -20.143 3.011) 21.425 1.677 ( 14.001 -16.241 -8.119) 22.928 2.558 ( 0.403 -8.263 -6.572) 10.565 2.775 ( -1.080 -8.105 -7.508) 11.101 2.851 ( 1.420 -3.304 -4.613) 5.849 3.528 ( -1.043 -3.443 0.024) 3.597 7.787 ( 0.743 -0.275 0.207) 0.819 7.994 ( 1.398 0.144 1.801) 2.284 8.774 ( -0.293 -2.211 -1.509) 2.692 8.811 ( -0.402 1.917 -1.234) 2.315 9.192 ( 2.292 1.675 -2.215) 3.601 9.925 ( 5.423 18.286 26.462) 32.619 13.139 ( -0.414 2.407 3.689) 4.424 13.318 ( 0.396 2.354 0.766) 2.507 13.415 ( -2.237 -0.459 0.690) 2.385 15.767 ( -0.100 1.062 -3.663) 3.815 15.999 ( -0.595 -0.079 -2.855) 2.917 16.257 ( -2.222 -1.207 -0.487) 2.576 16.417 ( 4.201 -2.820 3.971) 6.432 17.042 ( 0.459 -9.124 -13.172) 16.030 21.683 ( -0.145 1.146 1.278) 1.723 23.948 ( -7.650 -0.873 -12.497) 14.679 24.148 ( 3.463 -7.440 -1.647) 8.370 26.544 ( -0.270 12.867 14.360) 19.283 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 14.514 -13.009 -4.055) 19.908 1.745 ( 15.381 -17.649 -2.333) 23.527 2.441 ( 7.623 -17.224 -13.263) 23.036 2.623 ( -2.962 -3.221 -1.837) 4.746 2.825 ( 0.686 -2.105 -2.769) 3.545 3.505 ( 1.068 -2.532 1.783) 3.276 7.818 ( 3.422 0.153 -1.688) 3.818 8.033 ( 2.435 -0.782 0.420) 2.592 8.741 ( -0.134 -1.854 -0.361) 1.893 8.828 ( 2.138 0.089 -1.658) 2.707 9.173 ( -2.462 -1.435 -1.012) 3.024 10.389 ( 8.206 19.410 14.222) 25.423 13.175 ( -1.013 2.166 3.615) 4.334 13.363 ( -1.705 0.180 0.765) 1.878 13.374 ( 1.220 1.497 0.710) 2.057 15.739 ( -2.661 1.584 -3.504) 4.676 15.957 ( -1.394 0.348 -2.972) 3.301 16.206 ( -2.508 -0.527 0.930) 2.726 16.499 ( 5.585 -3.225 4.167) 7.678 16.863 ( -1.300 -8.563 -11.685) 14.545 21.698 ( -0.069 0.841 0.872) 1.213 23.749 ( -5.565 1.380 -11.083) 12.478 24.057 ( -3.645 -12.569 5.394) 14.155 26.787 ( 3.265 14.451 7.828) 16.756 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 18.368 -5.763 2.030) 19.357 1.826 ( 23.300 -2.296 -11.617) 26.137 2.351 ( 18.552 -5.548 12.031) 22.797 2.676 ( 2.266 -3.578 2.203) 4.774 2.792 ( 2.124 0.184 1.882) 2.844 3.541 ( 2.658 -1.084 -1.063) 3.061 7.809 ( 2.311 -2.125 -2.068) 3.759 8.031 ( 2.225 -0.044 -1.923) 2.941 8.751 ( 0.878 0.510 0.959) 1.396 8.799 ( 0.523 -1.324 -0.302) 1.455 9.153 ( 0.252 2.846 1.577) 3.263 10.414 ( -11.911 4.885 -20.924) 24.567 13.202 ( -2.665 0.948 -1.767) 3.336 13.326 ( -0.847 2.617 -0.691) 2.836 13.443 ( -1.003 -2.838 -2.145) 3.696 15.696 ( -1.242 1.310 3.116) 3.602 15.936 ( -1.349 -1.177 3.454) 3.890 16.239 ( -0.781 -0.893 1.204) 1.690 16.511 ( 5.620 1.204 -5.279) 7.804 16.784 ( 6.327 -3.344 11.900) 13.886 21.703 ( -0.775 0.252 -0.742) 1.102 23.705 ( -4.429 -6.166 10.811) 13.210 24.075 ( 8.725 6.574 5.512) 12.236 26.836 ( -10.417 0.940 -13.930) 17.420 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 16.079 1.974 5.471) 17.099 2.133 ( 19.781 -0.066 -6.305) 20.762 2.633 ( 9.203 0.900 1.061) 9.308 2.723 ( 6.634 -6.531 7.901) 12.211 2.841 ( 2.487 -0.281 3.945) 4.672 3.561 ( 1.573 -0.800 -1.698) 2.449 7.821 ( 1.227 0.784 -0.707) 1.619 8.036 ( -0.898 1.418 -2.422) 2.946 8.786 ( 2.198 -1.023 0.074) 2.426 8.812 ( 1.080 2.558 0.498) 2.821 9.186 ( 0.550 -0.640 1.540) 1.756 10.138 ( -13.508 10.445 -17.855) 24.705 13.150 ( -2.452 0.502 -2.362) 3.441 13.336 ( -0.627 3.169 -1.469) 3.548 13.378 ( -1.646 -3.152 -0.940) 3.678 15.695 ( -1.401 -1.830 3.934) 4.559 15.934 ( -0.205 -0.610 3.113) 3.179 16.215 ( -1.040 -2.376 0.614) 2.666 16.606 ( 6.642 3.044 -5.907) 9.395 16.922 ( 4.354 -4.196 13.091) 14.420 21.684 ( -1.223 0.414 -0.954) 1.605 23.675 ( -0.967 -4.619 10.495) 11.507 24.301 ( 11.272 -0.274 -0.063) 11.275 26.558 ( -14.659 4.206 -10.635) 18.592 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 12.318 5.043 3.846) 13.855 2.365 ( 11.044 -2.033 -2.219) 11.447 2.748 ( 6.970 -3.184 2.309) 8.004 2.788 ( 0.758 0.333 2.378) 2.518 2.970 ( 8.115 -0.799 2.848) 8.638 3.551 ( -1.463 -0.311 -0.288) 1.523 7.863 ( 0.846 4.268 0.576) 4.389 8.001 ( -3.742 3.489 -2.563) 5.722 8.801 ( 1.801 -1.494 -0.906) 2.509 8.884 ( 2.213 2.968 1.466) 3.982 9.171 ( -0.429 -4.098 1.392) 4.349 9.939 ( -14.089 16.566 -11.223) 24.472 13.103 ( -1.755 0.395 -1.994) 2.686 13.317 ( -1.670 -2.179 0.276) 2.760 13.350 ( -0.575 3.006 -1.321) 3.334 15.674 ( -0.753 -3.003 3.379) 4.583 15.955 ( 1.310 -0.415 1.531) 2.057 16.164 ( -1.614 -3.575 0.272) 3.932 16.694 ( 4.399 1.788 -5.115) 6.980 17.027 ( 3.951 -4.092 10.367) 11.825 21.660 ( -1.393 0.691 -0.776) 1.738 23.715 ( 3.145 -4.454 8.694) 10.263 24.431 ( 12.252 -10.487 -6.708) 17.467 26.317 ( -16.865 12.703 -3.579) 21.415 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 4.484 -2.823 1.338) 5.465 2.488 ( 7.829 3.026 -3.053) 8.932 2.767 ( -0.534 -1.142 0.908) 1.553 2.875 ( 4.113 -5.412 6.212) 9.209 3.080 ( 5.984 -1.519 -4.510) 7.646 3.513 ( -4.212 3.145 2.379) 5.770 7.925 ( -1.442 4.868 -0.405) 5.093 7.963 ( -2.888 6.841 -0.895) 7.479 8.809 ( 1.762 -2.256 -0.498) 2.906 8.933 ( -0.260 0.706 1.098) 1.331 9.132 ( -0.634 -2.631 1.750) 3.223 9.829 ( -14.343 19.203 -3.231) 24.185 13.075 ( -0.981 0.552 -0.937) 1.465 13.283 ( -1.096 -0.710 1.415) 1.925 13.362 ( -0.555 2.850 -1.076) 3.096 15.662 ( 0.803 -2.371 1.262) 2.804 15.979 ( 2.120 -2.648 -0.264) 3.403 16.107 ( -1.445 -2.174 0.672) 2.696 16.708 ( -0.498 -0.997 -1.632) 1.976 17.116 ( 5.491 -3.751 3.535) 7.531 21.643 ( -1.174 1.071 -0.218) 1.604 23.794 ( 6.320 -5.239 3.856) 9.069 24.423 ( 9.957 -18.652 -8.013) 22.611 26.210 ( -14.717 21.145 2.513) 25.885 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -0.799 -8.195 -2.101) 8.498 2.611 ( 2.396 3.865 -1.803) 4.892 2.751 ( 0.099 -2.744 -1.634) 3.196 2.844 ( -3.064 -5.030 1.029) 5.979 3.051 ( 1.007 -10.358 -2.335) 10.666 3.547 ( -0.561 8.074 2.553) 8.487 7.891 ( -4.624 4.746 -1.962) 6.911 8.030 ( -0.285 7.066 0.884) 7.127 8.806 ( 1.388 -3.954 0.778) 4.262 8.915 ( -2.571 0.972 0.887) 2.888 9.124 ( -1.032 0.702 1.185) 1.721 9.776 ( -14.466 18.668 4.860) 24.112 13.067 ( -0.523 0.803 0.275) 0.997 13.288 ( -0.161 1.519 2.125) 2.617 13.372 ( -0.465 2.209 -0.662) 2.352 15.670 ( 2.243 -1.334 -1.803) 3.172 15.958 ( 1.520 -6.119 -0.965) 6.378 16.104 ( 0.688 1.573 0.731) 1.866 16.647 ( -4.004 -2.810 1.571) 5.138 17.173 ( 5.809 -5.191 -3.071) 8.374 21.640 ( -0.717 1.439 0.497) 1.683 23.855 ( 7.390 -6.140 -5.542) 11.091 24.338 ( 6.636 -19.595 -0.105) 20.689 26.250 ( -10.102 23.854 4.768) 26.340 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -6.375 -11.419 -5.333) 14.123 2.521 ( -13.021 -10.784 0.540) 16.915 2.646 ( -0.730 -0.435 -1.871) 2.055 2.836 ( 2.918 1.229 -3.882) 5.010 2.944 ( 1.548 -12.019 -1.534) 12.215 3.630 ( 0.554 4.976 0.049) 5.007 7.851 ( -3.611 3.744 -1.182) 5.334 8.075 ( -1.784 3.946 0.758) 4.396 8.802 ( 1.713 -2.972 1.961) 3.951 8.890 ( -2.250 1.611 -0.316) 2.785 9.111 ( -3.279 3.257 0.065) 4.622 9.770 ( -13.651 17.325 12.867) 25.536 13.077 ( -0.207 1.412 1.382) 1.986 13.328 ( -0.423 3.732 2.460) 4.490 13.382 ( 0.382 0.943 -0.425) 1.103 15.683 ( 2.955 -0.819 -4.619) 5.544 15.925 ( 2.099 -5.166 -0.497) 5.598 16.150 ( 1.977 2.221 -0.186) 2.979 16.553 ( -5.075 -3.612 3.829) 7.312 17.164 ( 4.670 -7.737 -7.631) 11.828 21.652 ( -0.320 1.606 1.046) 1.943 23.852 ( 7.119 -5.896 -12.867) 15.843 24.284 ( 4.496 -15.857 7.086) 17.941 26.372 ( -6.589 21.909 5.676) 23.572 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -10.431 -15.066 -6.126) 19.321 2.143 ( -14.144 -17.744 2.164) 22.795 2.627 ( 0.336 -0.112 -3.701) 3.718 2.822 ( 0.242 -9.130 -1.248) 9.218 2.873 ( 3.137 -2.943 -7.194) 8.382 3.646 ( -0.845 -0.062 -1.980) 2.153 7.825 ( -2.138 1.676 -0.394) 2.745 8.059 ( -3.167 0.539 1.383) 3.497 8.831 ( 2.340 -1.654 1.121) 3.077 8.857 ( -1.215 -0.257 -2.422) 2.722 9.090 ( -4.210 6.699 -0.295) 7.917 9.829 ( -11.556 16.702 20.234) 28.669 13.106 ( 0.022 2.253 2.297) 3.218 13.356 ( -2.438 4.235 0.945) 4.977 13.411 ( 1.983 0.270 0.966) 2.222 15.694 ( 3.280 -0.432 -5.871) 6.739 15.923 ( 2.652 -3.032 -0.645) 4.079 16.206 ( 2.496 1.881 -0.919) 3.257 16.464 ( -4.373 -3.842 5.411) 7.948 17.084 ( 3.370 -9.914 -10.206) 14.622 21.671 ( -0.161 1.468 1.240) 1.928 23.844 ( 7.998 -3.799 -12.582) 15.385 24.246 ( 1.480 -11.535 4.883) 12.613 26.516 ( -5.069 17.982 7.667) 20.195 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -5.935 -19.780 -2.101) 20.758 1.745 ( -10.822 -21.122 1.419) 23.775 2.565 ( -0.021 -7.991 -10.065) 12.852 2.727 ( 2.025 -6.716 -3.629) 7.897 2.837 ( 0.193 -2.711 -4.770) 5.490 3.588 ( -1.945 -3.188 -1.800) 4.146 7.802 ( -1.087 -0.532 -0.082) 1.213 8.012 ( -2.665 -1.166 1.665) 3.352 8.800 ( -1.632 -1.358 -2.107) 2.991 8.855 ( 1.269 -1.859 -1.447) 2.676 9.111 ( -0.765 7.172 -1.500) 7.367 9.979 ( -7.673 16.793 25.560) 31.531 13.149 ( -0.042 2.822 2.927) 4.066 13.353 ( -2.130 3.091 -0.304) 3.766 13.447 ( 0.576 0.310 1.623) 1.749 15.712 ( 3.064 0.746 -5.620) 6.444 15.943 ( 2.799 -1.483 -0.834) 3.276 16.255 ( 2.245 0.953 -1.211) 2.723 16.401 ( -3.006 -3.667 5.789) 7.483 16.962 ( 2.889 -10.669 -11.210) 15.743 21.689 ( -0.165 1.105 1.132) 1.590 23.890 ( 9.273 -2.293 -9.924) 13.775 24.157 ( -2.740 -6.618 -1.919) 7.415 26.650 ( -4.591 13.630 11.050) 18.137 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 6.818 -22.723 2.217) 23.827 1.410 ( -2.934 -21.969 -0.091) 22.165 2.328 ( -0.042 -19.177 -17.378) 25.879 2.699 ( 0.477 -2.474 -3.226) 4.093 2.780 ( 0.300 -2.842 -2.578) 3.849 3.515 ( -1.415 -3.566 -0.140) 3.839 7.775 ( -0.394 -1.695 -0.495) 1.809 7.980 ( -0.165 -1.934 1.011) 2.189 8.751 ( -0.613 -1.902 -1.648) 2.590 8.829 ( -1.165 -0.638 -1.660) 2.126 9.164 ( 1.625 3.571 -2.516) 4.661 10.237 ( -1.308 16.465 25.460) 30.348 13.195 ( -0.267 2.843 3.315) 4.376 13.347 ( -1.040 2.324 -0.799) 2.669 13.450 ( -1.415 -0.528 1.640) 2.229 15.739 ( 2.091 2.277 -4.215) 5.227 15.971 ( 1.938 -0.437 -1.225) 2.334 16.271 ( -0.506 -0.466 -0.605) 0.916 16.375 ( 0.292 -2.999 4.605) 5.503 16.835 ( 2.697 -9.743 -11.343) 15.194 21.702 ( -0.145 0.698 0.888) 1.139 23.947 ( 3.592 -4.639 -6.201) 8.537 24.014 ( -2.332 -0.242 -9.045) 9.343 26.782 ( -2.957 10.411 13.794) 17.533 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 11.632 -16.575 -11.026) 23.057 1.300 ( 14.491 -23.422 11.651) 29.905 2.009 ( 4.676 -25.823 -19.153) 32.489 2.639 ( -2.351 -1.287 -1.140) 2.913 2.765 ( 1.790 -2.377 -2.049) 3.613 3.477 ( 0.335 -2.822 1.172) 3.074 7.759 ( 1.419 -1.532 -1.641) 2.656 7.978 ( 1.872 -2.647 0.094) 3.244 8.720 ( 0.063 -1.994 -0.466) 2.049 8.801 ( -0.058 -0.076 -1.548) 1.551 9.185 ( -0.382 0.467 -1.115) 1.268 10.563 ( 3.357 15.321 15.835) 22.288 13.237 ( -0.678 2.466 3.273) 4.154 13.364 ( 1.293 1.874 0.206) 2.286 13.413 ( -2.910 -1.185 1.334) 3.414 15.764 ( -0.048 2.861 -2.916) 4.086 15.965 ( -1.089 0.398 -2.619) 2.864 16.240 ( -1.559 -0.355 0.640) 1.722 16.412 ( 3.846 -2.811 3.846) 6.122 16.705 ( 0.924 -8.558 -10.918) 13.903 21.711 ( -0.057 0.383 0.594) 0.709 23.791 ( -6.132 0.241 -9.758) 11.527 23.999 ( 1.600 -5.402 -0.881) 5.703 26.943 ( 0.107 9.940 10.779) 14.663 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.000 0.000 25.391) 25.391 1.084 ( -0.000 0.000 25.391) 25.391 1.800 ( -0.000 0.000 41.611) 41.611 2.690 ( -0.000 0.000 1.747) 1.747 2.690 ( -0.000 0.000 1.747) 1.747 3.360 ( 0.000 -0.000 -1.422) 1.422 7.914 ( -0.000 0.000 2.919) 2.919 7.914 ( -0.000 0.000 2.919) 2.919 8.825 ( -0.000 0.000 1.714) 1.714 8.825 ( -0.000 0.000 1.714) 1.714 8.989 ( -0.000 0.000 1.742) 1.742 11.382 ( 0.000 -0.000 -5.424) 5.424 13.341 ( -0.000 0.000 0.204) 0.204 13.381 ( 0.000 -0.000 -1.088) 1.088 13.381 ( 0.000 -0.000 -1.088) 1.088 15.922 ( 0.000 -0.000 -2.838) 2.838 15.922 ( 0.000 -0.000 -2.838) 2.838 15.970 ( 0.000 -0.000 -0.572) 0.572 16.413 ( -0.000 0.000 4.007) 4.007 16.413 ( -0.000 0.000 4.007) 4.007 21.707 ( 0.000 -0.000 -0.324) 0.324 23.648 ( 0.000 -0.000 -2.072) 2.072 23.648 ( 0.000 -0.000 -2.072) 2.072 27.428 ( 0.000 -0.000 -0.853) 0.853 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -3.185 1.959 24.434) 24.718 1.485 ( 14.159 1.811 22.967) 27.042 2.169 ( 7.622 4.907 33.569) 34.771 2.680 ( -1.601 1.023 1.529) 2.439 2.748 ( 3.103 0.583 2.880) 4.274 3.363 ( 0.730 1.046 -1.250) 1.786 7.929 ( -0.292 0.505 2.925) 2.983 7.958 ( 1.944 0.434 3.641) 4.150 8.816 ( -1.477 0.544 1.539) 2.201 8.830 ( -0.060 -1.290 3.434) 3.669 9.054 ( 3.308 2.133 -0.038) 3.936 11.120 ( -15.554 -8.640 -4.697) 18.402 13.288 ( -2.864 -2.618 -0.345) 3.896 13.378 ( -0.151 1.273 -1.235) 1.780 13.387 ( -0.568 1.739 -1.004) 2.087 15.842 ( -0.441 -4.509 -2.802) 5.327 15.959 ( 1.991 -2.394 -0.262) 3.125 16.019 ( 2.301 6.154 -3.549) 7.467 16.411 ( 0.558 0.965 3.546) 3.717 16.539 ( 5.462 1.378 4.778) 7.386 21.702 ( -0.210 -0.067 -0.519) 0.564 23.553 ( -1.944 -2.335 -3.073) 4.322 23.868 ( 12.397 8.080 -0.733) 14.816 27.280 ( -10.778 -5.083 -1.361) 11.994 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 9.052 8.572 18.783) 22.544 1.884 ( 14.503 0.542 19.005) 23.913 2.493 ( 5.723 -1.772 16.269) 17.337 2.707 ( -0.073 5.733 6.236) 8.471 2.838 ( 3.246 0.777 5.422) 6.367 3.393 ( 1.336 3.268 -0.530) 3.570 7.951 ( 0.075 1.135 1.641) 1.997 8.027 ( 2.437 0.721 3.274) 4.145 8.808 ( -1.445 0.583 1.827) 2.401 8.857 ( 1.372 -0.322 3.255) 3.547 9.114 ( 1.661 1.287 0.037) 2.102 10.742 ( -13.380 -6.518 -9.166) 17.479 13.208 ( -3.249 -1.884 -0.868) 3.855 13.370 ( -0.643 0.021 -1.161) 1.327 13.394 ( -0.621 3.491 -1.537) 3.865 15.779 ( 0.764 -5.143 -2.722) 5.869 15.946 ( 0.196 -3.414 -0.056) 3.420 16.088 ( 1.471 4.581 -1.703) 5.104 16.479 ( 2.269 1.966 4.322) 5.263 16.679 ( 6.315 -0.015 4.002) 7.476 21.691 ( -0.429 -0.081 -0.953) 1.048 23.501 ( 0.156 -1.277 -2.252) 2.594 24.127 ( 7.227 4.707 6.288) 10.674 27.012 ( -11.065 -3.663 -7.082) 13.638 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 14.187 10.858 13.325) 22.287 2.220 ( 10.313 2.004 12.893) 16.632 2.552 ( 1.583 -5.431 4.221) 7.058 2.829 ( 2.690 0.312 5.815) 6.415 2.945 ( 1.327 2.329 9.034) 9.423 3.474 ( 2.825 5.670 0.496) 6.354 7.972 ( 0.285 1.847 -0.752) 2.015 8.089 ( 1.746 1.144 1.426) 2.528 8.801 ( -1.257 -0.228 2.423) 2.739 8.903 ( 1.810 0.130 1.884) 2.615 9.139 ( 0.122 0.145 1.015) 1.033 10.434 ( -7.781 -2.340 -15.832) 17.795 13.136 ( -2.612 -1.091 -0.999) 3.002 13.345 ( -1.130 -0.256 -1.271) 1.720 13.410 ( 0.032 2.939 -2.034) 3.575 15.734 ( 1.026 -3.815 -1.650) 4.281 15.904 ( -0.650 -4.416 0.658) 4.511 16.136 ( 0.429 2.805 0.126) 2.840 16.581 ( 3.258 2.266 5.952) 7.154 16.793 ( 5.014 -0.826 1.914) 5.430 21.675 ( -0.469 -0.029 -1.424) 1.499 23.507 ( 1.830 0.206 0.416) 1.888 24.270 ( -1.188 -1.001 15.215) 15.294 26.766 ( -6.325 -0.209 -15.517) 16.758 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 12.490 8.044 10.376) 18.121 2.399 ( -0.360 5.611 2.132) 6.013 2.585 ( 5.655 -5.403 7.203) 10.633 2.876 ( 1.612 -3.115 3.478) 4.939 3.012 ( -1.509 -0.102 7.769) 7.914 3.580 ( 3.410 4.218 -1.667) 5.675 7.989 ( 0.808 2.660 -3.276) 4.296 8.124 ( 0.361 2.171 -1.287) 2.550 8.788 ( -1.385 -1.781 3.069) 3.809 8.931 ( 0.910 -0.827 -0.385) 1.288 9.137 ( -0.721 -0.910 1.313) 1.753 10.227 ( -1.811 1.889 -21.225) 21.386 13.088 ( -1.346 -0.407 -0.826) 1.631 13.312 ( -1.057 -0.723 -1.481) 1.958 13.425 ( 0.585 2.147 -2.405) 3.276 15.719 ( 0.529 -1.184 0.419) 1.363 15.852 ( -0.483 -5.379 1.628) 5.640 16.160 ( -0.117 0.911 1.249) 1.550 16.707 ( 3.609 1.642 8.070) 8.991 16.851 ( 1.940 -0.330 -0.920) 2.172 21.659 ( -0.172 0.124 -1.714) 1.727 23.572 ( 2.586 1.933 4.318) 5.392 24.271 ( -8.018 -5.988 20.376) 22.700 26.602 ( 0.008 3.014 -21.619) 21.828 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -3.645 2.200 0.616) 4.302 2.486 ( 5.809 -1.814 5.999) 8.546 2.700 ( 2.159 5.717 5.361) 8.130 2.882 ( 0.559 -3.573 2.877) 4.621 2.993 ( -4.466 -3.246 7.113) 9.004 3.631 ( 2.615 0.370 -5.595) 6.187 8.008 ( 1.020 2.860 -4.682) 5.580 8.128 ( -0.981 3.371 -3.795) 5.170 8.754 ( -1.653 -3.666 2.456) 4.711 8.911 ( -0.371 -1.311 -2.708) 3.032 9.119 ( -0.484 -1.878 0.605) 2.031 10.126 ( 3.169 5.018 -24.204) 24.921 13.072 ( 0.106 0.264 -0.599) 0.663 13.279 ( -0.525 -1.032 -1.647) 2.013 13.441 ( 0.966 1.513 -2.469) 3.053 15.720 ( -1.572 -0.497 2.767) 3.220 15.822 ( 1.592 -3.767 2.389) 4.736 16.171 ( 0.133 -0.624 1.864) 1.970 16.811 ( 3.232 -6.105 3.330) 7.669 16.860 ( -2.259 6.681 3.303) 7.788 21.651 ( 0.393 0.369 -1.726) 1.808 23.682 ( 1.913 3.714 8.326) 9.315 24.169 ( -10.229 -8.637 19.779) 23.884 26.538 ( 5.039 4.693 -23.000) 24.009 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -8.157 0.805 -1.672) 8.365 2.490 ( -1.187 -8.923 1.477) 9.122 2.783 ( -5.748 2.724 5.254) 8.250 2.868 ( -0.647 -2.172 2.606) 3.454 2.916 ( -4.243 -2.040 5.801) 7.471 3.617 ( 1.762 -1.853 -5.923) 6.451 8.004 ( -0.917 1.582 -4.615) 4.964 8.111 ( -1.381 3.231 -5.119) 6.209 8.705 ( -0.329 -2.682 -0.420) 2.734 8.876 ( -0.529 -0.359 -2.548) 2.627 9.090 ( 0.051 -3.271 -0.351) 3.290 10.100 ( 6.144 6.445 -25.806) 27.299 13.087 ( 1.415 0.839 -0.685) 1.782 13.257 ( 0.304 -0.786 -1.415) 1.647 13.455 ( 0.992 1.174 -2.265) 2.737 15.690 ( -1.878 -2.787 3.909) 5.155 15.863 ( 2.100 0.378 3.196) 3.843 16.183 ( 0.981 -1.360 2.314) 2.858 16.747 ( -2.221 -3.287 -5.178) 6.523 16.937 ( -1.959 2.062 11.662) 12.003 21.657 ( 0.931 0.620 -1.531) 1.896 23.807 ( -0.623 5.562 11.381) 12.682 24.042 ( -7.240 -9.429 15.786) 19.761 26.552 ( 7.690 5.092 -21.325) 23.235 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -13.431 -4.871 -2.425) 14.491 2.298 ( -11.169 -7.607 -5.453) 14.572 2.656 ( -6.769 -6.756 6.211) 11.403 2.844 ( -1.852 -2.639 4.000) 5.138 2.874 ( -5.802 0.300 3.436) 6.750 3.594 ( 0.326 -1.117 -1.967) 2.285 7.941 ( -3.521 -0.191 -4.494) 5.712 8.075 ( -1.481 1.034 -4.562) 4.906 8.711 ( 1.938 1.456 -0.521) 2.479 8.852 ( -0.879 0.643 -1.657) 1.983 9.059 ( 1.548 -4.212 -0.856) 4.569 10.111 ( 7.816 6.935 -27.359) 29.286 13.123 ( 2.243 1.134 -1.532) 2.943 13.260 ( 1.204 0.190 -0.483) 1.311 13.466 ( 0.553 0.999 -2.014) 2.315 15.668 ( -0.424 -2.822 4.378) 5.226 15.922 ( 1.231 1.030 3.081) 3.474 16.211 ( 1.763 -1.067 2.666) 3.370 16.624 ( -4.104 -2.189 -6.559) 8.041 16.968 ( -4.345 -1.663 13.136) 13.936 21.673 ( 1.135 0.747 -1.280) 1.867 23.906 ( -6.211 8.861 13.644) 17.414 23.965 ( 0.517 -11.349 10.759) 15.647 26.609 ( 8.419 5.342 -19.047) 21.499 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -16.179 -11.394 -2.069) 19.897 1.892 ( -19.819 -9.048 -8.617) 23.429 2.530 ( -8.308 -6.477 9.827) 14.407 2.767 ( -5.964 -4.034 5.113) 8.831 2.815 ( -2.062 -1.340 2.351) 3.402 3.569 ( -2.143 -0.328 0.451) 2.214 7.842 ( -3.574 -1.135 -3.344) 5.024 8.027 ( -1.644 -0.164 -2.914) 3.349 8.758 ( 0.258 0.981 1.880) 2.137 8.835 ( -1.634 1.880 -0.492) 2.539 9.075 ( 4.854 -2.181 0.224) 5.326 10.144 ( 9.657 7.528 -28.616) 31.126 13.161 ( 2.440 1.286 -2.784) 3.919 13.295 ( 1.776 1.411 0.594) 2.345 13.465 ( -0.258 0.901 -1.823) 2.050 15.683 ( 1.440 -1.819 4.503) 5.066 15.959 ( 0.667 -0.277 2.285) 2.397 16.251 ( 1.417 -0.284 2.336) 2.747 16.489 ( -4.209 -1.749 -6.362) 7.827 16.930 ( -6.307 -4.919 13.045) 15.302 21.690 ( 0.930 0.679 -1.071) 1.572 23.953 ( -3.623 2.654 12.664) 13.437 23.969 ( 0.033 -4.783 8.273) 9.556 26.687 ( 7.937 6.183 -17.028) 19.779 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 3.019 -4.010 23.098) 23.637 1.587 ( -4.671 7.371 24.676) 26.174 2.389 ( -0.683 6.925 27.875) 28.730 2.719 ( 3.356 2.047 2.864) 4.863 2.757 ( -2.249 3.158 3.120) 4.977 3.361 ( 0.615 1.922 -0.481) 2.075 7.955 ( 1.304 -0.407 3.927) 4.157 7.961 ( -1.278 0.092 2.900) 3.171 8.814 ( 0.329 -1.527 2.309) 2.787 8.872 ( -0.257 1.208 2.153) 2.482 9.057 ( 0.192 3.810 0.283) 3.825 11.013 ( 0.338 -28.158 -4.329) 28.490 13.273 ( -0.723 -5.123 -0.426) 5.191 13.373 ( 1.129 0.742 -1.225) 1.823 13.381 ( 1.291 0.104 -1.339) 1.863 15.869 ( -6.644 1.258 -2.940) 7.374 15.916 ( 2.514 0.095 -0.070) 2.516 16.025 ( 1.933 6.321 -3.488) 7.474 16.388 ( 0.214 -3.542 3.902) 5.274 16.625 ( -1.029 10.797 4.695) 11.819 21.698 ( 0.045 -0.480 -0.572) 0.748 23.676 ( -3.952 9.989 -3.878) 11.421 23.755 ( 3.796 8.217 -1.600) 9.192 27.249 ( 0.796 -15.944 -0.422) 15.969 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 4.734 3.691 19.559) 20.459 1.825 ( 6.567 1.997 24.502) 25.445 2.546 ( -0.566 1.860 9.491) 9.689 2.774 ( 0.157 0.951 2.993) 3.144 2.877 ( 2.550 6.816 10.655) 12.903 3.416 ( 1.386 5.140 1.391) 5.502 7.961 ( -0.131 -0.625 1.569) 1.694 8.010 ( 2.379 -0.727 4.014) 4.723 8.827 ( 0.463 -0.369 1.666) 1.768 8.883 ( -1.155 1.194 2.572) 3.061 9.111 ( 1.304 3.330 -0.204) 3.582 10.643 ( -3.288 -30.551 -5.748) 31.261 13.205 ( -1.078 -4.264 -1.124) 4.540 13.374 ( -0.307 0.693 -1.223) 1.439 13.400 ( 1.319 -0.052 -2.310) 2.661 15.766 ( -4.688 1.229 -1.744) 5.151 15.934 ( -0.176 -0.870 0.463) 1.001 16.096 ( 1.777 5.669 -3.059) 6.683 16.419 ( 4.023 -3.494 4.227) 6.801 16.747 ( -1.211 11.259 4.759) 12.283 21.686 ( -0.137 -0.720 -0.918) 1.175 23.595 ( -7.821 8.848 -2.329) 12.036 24.047 ( 12.543 9.783 0.750) 15.925 27.024 ( -5.679 -16.720 -3.440) 17.991 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 10.434 9.334 15.301) 20.739 2.130 ( 10.517 -0.416 19.480) 22.142 2.567 ( -2.511 1.601 2.096) 3.642 2.811 ( 1.623 -1.495 3.495) 4.134 3.024 ( 0.841 3.438 8.650) 9.346 3.515 ( 1.053 6.948 1.954) 7.294 7.962 ( 0.678 -0.835 -0.695) 1.281 8.067 ( 2.496 -0.872 2.577) 3.692 8.833 ( -0.628 -0.365 1.248) 1.444 8.900 ( 0.083 0.790 2.092) 2.238 9.152 ( 0.189 2.035 0.288) 2.064 10.277 ( -0.445 -25.103 -10.771) 27.319 13.140 ( -1.171 -3.067 -1.311) 3.535 13.358 ( -1.269 0.468 -1.606) 2.100 13.399 ( 1.154 -0.548 -2.701) 2.987 15.714 ( -2.315 1.939 -0.251) 3.030 15.905 ( -1.864 -1.595 0.247) 2.466 16.152 ( 0.963 3.528 -1.165) 3.838 16.501 ( 6.281 -4.069 5.057) 9.032 16.863 ( -1.795 11.266 3.912) 12.060 21.668 ( -0.238 -0.813 -1.384) 1.623 23.578 ( -3.859 9.494 0.225) 10.250 24.318 ( 6.699 4.173 8.804) 11.824 26.718 ( -6.218 -13.068 -11.299) 18.361 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 11.054 9.716 12.089) 19.046 2.418 ( 10.743 1.054 12.170) 16.268 2.538 ( -3.686 2.165 -0.089) 4.276 2.836 ( 1.563 -3.411 3.264) 4.974 3.094 ( -1.058 0.443 7.705) 7.790 3.583 ( -0.128 4.016 -1.704) 4.365 7.961 ( 1.404 -0.224 -3.193) 3.495 8.107 ( 1.958 -0.436 -0.067) 2.007 8.813 ( -1.327 -2.401 1.518) 3.136 8.916 ( -0.059 0.222 0.203) 0.307 9.158 ( -1.296 0.152 0.802) 1.532 10.011 ( 3.917 -16.069 -16.494) 23.358 13.091 ( -0.793 -1.754 -1.122) 2.228 13.320 ( -1.701 -0.344 -2.017) 2.661 13.398 ( 1.479 -0.606 -2.442) 2.918 15.721 ( -0.382 3.132 1.514) 3.500 15.849 ( -2.448 -2.633 0.681) 3.659 16.178 ( -0.227 1.009 0.369) 1.098 16.613 ( 7.217 -4.296 5.287) 9.924 16.954 ( -3.038 10.882 3.055) 11.704 21.647 ( -0.059 -0.672 -1.714) 1.842 23.650 ( -1.145 10.697 3.712) 11.381 24.453 ( -2.258 -2.848 17.850) 18.216 26.440 ( -1.113 -7.916 -20.736) 22.223 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 3.528 1.653 10.217) 10.935 2.489 ( -4.267 3.191 -1.150) 5.450 2.699 ( 10.361 7.785 5.261) 13.987 2.846 ( 1.357 -3.635 3.267) 5.072 3.095 ( -4.135 -2.498 8.268) 9.576 3.562 ( -0.417 -0.841 -6.734) 6.799 7.968 ( 2.144 0.855 -4.826) 5.350 8.121 ( 1.084 -0.220 -2.970) 3.169 8.754 ( -1.779 -4.854 -0.457) 5.190 8.906 ( -1.107 0.535 -0.619) 1.376 9.124 ( -1.919 -1.522 0.012) 2.449 9.878 ( 7.291 -6.565 -19.943) 22.225 13.066 ( 0.004 -0.571 -0.957) 1.115 13.274 ( -1.297 -0.731 -1.792) 2.330 13.405 ( 1.748 -0.500 -2.045) 2.736 15.769 ( -1.667 1.830 2.985) 3.878 15.793 ( 0.164 -1.343 1.645) 2.130 16.175 ( -0.491 -1.151 1.395) 1.874 16.709 ( 4.840 -3.765 2.664) 6.685 17.018 ( -3.476 8.705 4.894) 10.575 21.633 ( 0.432 -0.280 -1.763) 1.836 23.782 ( -0.275 10.550 6.695) 12.498 24.427 ( -10.185 -6.394 22.162) 25.214 26.273 ( 6.620 -3.927 -25.727) 26.853 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -7.959 2.855 -0.214) 8.458 2.467 ( -1.339 -3.399 3.857) 5.313 2.843 ( 1.640 -3.745 2.515) 4.800 2.946 ( -0.582 8.556 4.590) 9.727 3.003 ( -5.806 -4.923 6.149) 9.785 3.502 ( 2.793 -3.027 -7.390) 8.460 7.979 ( 1.377 0.869 -4.927) 5.189 8.100 ( 0.547 -1.399 -4.854) 5.081 8.676 ( -0.608 -1.303 -4.664) 4.881 8.889 ( -1.558 1.171 0.156) 1.956 9.068 ( -1.616 -2.775 -1.272) 3.454 9.847 ( 8.292 -0.190 -21.251) 22.812 13.066 ( 0.962 0.272 -1.190) 1.554 13.245 ( -0.371 -0.189 -1.066) 1.144 13.420 ( 1.865 -0.414 -1.602) 2.493 15.719 ( -2.319 -3.612 3.385) 5.467 15.865 ( 1.661 3.472 3.063) 4.919 16.166 ( 0.388 -2.405 2.019) 3.164 16.722 ( -0.360 -1.483 -2.629) 3.040 17.075 ( -2.693 3.414 9.595) 10.534 21.634 ( 1.014 0.229 -1.595) 1.904 23.902 ( -1.077 4.035 8.102) 9.116 24.319 ( -12.747 -0.857 19.895) 23.644 26.244 ( 12.162 -2.033 -23.865) 26.862 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -13.663 -4.222 -1.318) 14.361 2.405 ( -6.700 0.840 -1.116) 6.844 2.769 ( -10.745 -7.084 2.919) 13.197 2.848 ( 0.621 -3.527 3.460) 4.980 3.007 ( -5.788 1.813 3.018) 6.775 3.533 ( 4.981 0.050 -1.485) 5.198 7.940 ( -1.519 -2.259 -4.950) 5.649 8.066 ( 0.418 -0.390 -4.299) 4.337 8.683 ( 2.870 6.144 -5.584) 8.784 8.880 ( -1.514 1.879 0.597) 2.486 9.002 ( -0.797 -3.815 -1.915) 4.342 9.860 ( 7.891 3.674 -22.661) 24.275 13.085 ( 1.758 0.790 -1.867) 2.684 13.248 ( 0.802 1.123 -0.199) 1.394 13.437 ( 1.653 -0.442 -1.330) 2.167 15.680 ( -1.100 -3.655 4.729) 6.078 15.933 ( 0.739 1.775 2.555) 3.198 16.176 ( 2.063 -2.357 2.336) 3.908 16.645 ( -4.034 0.154 -5.968) 7.205 17.105 ( -3.666 -1.916 12.483) 13.151 21.649 ( 1.358 0.638 -1.382) 2.040 23.912 ( -1.617 -7.344 9.276) 11.942 24.272 ( -11.013 8.846 13.485) 19.529 26.320 ( 13.881 0.488 -18.876) 23.436 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -18.056 -7.719 -1.872) 19.726 2.161 ( -19.839 0.008 -5.018) 20.463 2.616 ( -3.160 -4.452 5.111) 7.478 2.845 ( -0.745 -1.520 2.488) 3.009 2.887 ( -8.611 -4.844 5.948) 11.532 3.597 ( 0.723 1.089 1.694) 2.140 7.850 ( -1.992 -2.222 -3.722) 4.770 8.042 ( -1.203 1.420 -2.974) 3.509 8.779 ( 1.614 4.634 0.126) 4.908 8.882 ( -1.620 1.900 0.344) 2.520 8.974 ( 3.919 0.356 -2.471) 4.647 9.890 ( 7.822 7.677 -25.027) 27.322 13.115 ( 2.198 1.184 -2.572) 3.584 13.290 ( 1.706 2.595 0.298) 3.120 13.448 ( 1.136 -0.539 -1.347) 1.843 15.676 ( 0.558 -3.026 5.679) 6.459 15.955 ( 0.029 -1.073 1.716) 2.024 16.216 ( 2.872 -1.638 2.036) 3.882 16.524 ( -5.271 0.599 -6.772) 8.602 17.069 ( -5.945 -5.700 12.776) 15.200 21.671 ( 1.276 0.791 -1.234) 1.944 23.878 ( 1.077 -9.788 10.010) 14.041 24.247 ( -9.581 6.448 6.951) 13.479 26.466 ( 12.366 5.341 -14.243) 19.604 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -3.850 2.104 22.111) 22.542 1.950 ( -9.218 7.784 19.563) 22.985 2.632 ( -5.353 -0.426 10.918) 12.167 2.711 ( 4.174 7.095 8.411) 11.769 2.867 ( -2.242 4.180 6.308) 7.892 3.374 ( 0.323 2.379 0.911) 2.568 7.952 ( 0.666 -1.568 2.976) 3.429 8.013 ( -2.522 -0.319 2.377) 3.480 8.812 ( 0.213 -0.811 2.016) 2.184 8.895 ( 0.576 1.348 2.792) 3.153 9.104 ( -1.218 3.031 -0.252) 3.276 10.622 ( 4.084 -31.823 -6.122) 32.663 13.211 ( 1.259 -5.390 -0.348) 5.547 13.340 ( 0.053 -0.925 -1.356) 1.642 13.369 ( 0.513 0.506 -1.234) 1.429 15.866 ( 3.793 1.636 -0.958) 4.240 15.986 ( -5.960 1.639 -1.843) 6.450 16.025 ( 2.809 5.918 -2.668) 7.073 16.417 ( -3.965 -2.803 4.174) 6.403 16.790 ( -0.381 13.399 3.551) 13.867 21.684 ( 0.229 -0.873 -0.883) 1.263 23.632 ( 8.680 10.908 -2.453) 14.155 24.018 ( -13.851 8.627 0.187) 16.319 26.986 ( 7.066 -19.224 -2.245) 20.604 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 1.537 3.121 19.630) 19.936 2.031 ( -4.887 4.901 24.135) 25.108 2.628 ( -0.921 1.505 3.416) 3.845 2.809 ( -1.565 2.113 2.623) 3.714 2.971 ( 1.586 5.129 8.277) 9.866 3.461 ( 2.181 6.377 4.126) 7.902 7.968 ( -0.307 -3.263 2.836) 4.334 7.988 ( 0.682 -1.174 2.261) 2.638 8.823 ( 0.445 -0.488 1.146) 1.323 8.927 ( -0.450 1.348 2.178) 2.601 9.129 ( 0.450 3.642 -0.645) 3.726 10.255 ( 1.190 -41.269 -3.401) 41.425 13.160 ( -0.093 -5.103 -0.810) 5.168 13.338 ( 1.901 -1.879 -2.085) 3.390 13.377 ( 0.187 1.102 -1.191) 1.633 15.888 ( -4.867 2.712 -0.521) 5.596 15.928 ( 0.212 1.161 -0.389) 1.242 16.104 ( 1.445 6.340 -3.668) 7.466 16.382 ( -0.152 -2.535 4.461) 5.133 16.935 ( -1.773 14.577 3.539) 15.105 21.670 ( 0.115 -1.277 -1.042) 1.652 23.871 ( -12.986 11.723 -2.016) 17.610 23.935 ( 12.604 13.057 -1.512) 18.211 26.838 ( 1.688 -23.573 -1.550) 23.684 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 7.765 6.298 15.171) 18.169 2.190 ( 0.536 1.857 23.792) 23.870 2.655 ( -1.769 4.679 0.503) 5.028 2.808 ( -0.689 -0.686 2.500) 2.683 3.075 ( 1.668 2.122 4.551) 5.292 3.584 ( 0.827 6.344 3.007) 7.069 7.933 ( -0.217 -3.390 0.146) 3.400 8.022 ( 2.665 -2.647 2.515) 4.521 8.823 ( 0.436 -2.095 -0.683) 2.246 8.940 ( -1.111 1.546 1.965) 2.736 9.172 ( 0.669 3.190 -0.554) 3.306 9.870 ( 3.538 -38.385 -3.512) 38.707 13.107 ( -0.130 -3.858 -1.151) 4.028 13.332 ( 1.848 -2.774 -2.581) 4.215 13.375 ( -0.704 1.053 -1.245) 1.776 15.834 ( -5.457 5.809 -0.167) 7.972 15.926 ( -1.324 -0.447 0.277) 1.425 16.158 ( 1.286 4.440 -2.450) 5.232 16.414 ( 3.199 -3.062 4.991) 6.672 17.060 ( -2.992 14.371 3.080) 14.999 21.649 ( -0.011 -1.447 -1.328) 1.964 23.799 ( -8.077 13.043 -0.496) 15.350 24.261 ( 11.044 9.219 3.040) 14.704 26.570 ( -3.262 -21.998 -6.287) 23.111 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 12.445 8.782 10.115) 18.285 2.379 ( 3.795 -0.465 18.562) 18.952 2.659 ( -4.060 7.083 -1.148) 8.244 2.808 ( 0.438 -2.836 3.267) 4.348 3.141 ( 1.046 0.267 4.901) 5.018 3.625 ( -1.890 2.443 -1.962) 3.659 7.902 ( 1.199 -2.963 -2.223) 3.893 8.051 ( 2.699 -2.915 0.308) 3.985 8.780 ( 0.377 -6.284 -1.980) 6.599 8.947 ( -1.298 1.590 1.621) 2.615 9.192 ( -1.308 1.511 0.203) 2.009 9.607 ( 7.706 -26.523 -6.499) 28.374 13.067 ( 0.092 -2.530 -1.119) 2.768 13.311 ( 0.653 -2.658 -2.258) 3.548 13.364 ( -0.397 0.649 -1.373) 1.570 15.818 ( -3.443 6.107 0.426) 7.024 15.884 ( -3.149 -0.501 0.949) 3.327 16.193 ( 0.003 2.078 -0.916) 2.271 16.496 ( 5.927 -3.225 5.476) 8.690 17.152 ( -4.026 12.948 2.053) 13.714 21.626 ( 0.054 -1.284 -1.523) 1.993 23.849 ( -3.676 15.088 3.131) 15.842 24.506 ( 5.750 1.420 10.615) 12.156 26.238 ( -3.847 -17.120 -15.115) 23.159 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 6.220 4.335 9.120) 11.860 2.544 ( 5.318 1.442 5.572) 7.837 2.674 ( -0.431 9.235 0.577) 9.264 2.814 ( 1.354 -2.963 4.175) 5.295 3.171 ( -1.341 -2.374 6.739) 7.270 3.545 ( -3.886 -1.576 -6.944) 8.112 7.892 ( 2.702 -1.376 -4.045) 5.055 8.052 ( 2.087 -3.816 -3.115) 5.350 8.697 ( 0.464 -7.786 -2.584) 8.217 8.947 ( -1.684 1.715 1.409) 2.786 9.153 ( -3.052 -1.371 -0.193) 3.351 9.526 ( 10.248 -11.929 -9.593) 18.422 13.046 ( 0.465 -1.238 -1.051) 1.690 13.277 ( -0.718 -1.437 -1.220) 2.017 13.361 ( 0.932 -0.225 -1.464) 1.750 15.805 ( -2.359 -1.100 -0.454) 2.642 15.865 ( -2.438 5.716 3.435) 7.100 16.187 ( -1.239 -0.619 0.527) 1.482 16.609 ( 6.026 -2.329 4.430) 7.833 17.203 ( -4.645 9.730 1.993) 10.964 21.609 ( 0.429 -0.778 -1.498) 1.742 23.985 ( -2.928 14.859 7.028) 16.697 24.619 ( -1.638 -4.086 17.817) 18.352 25.944 ( 2.310 -11.430 -24.109) 26.781 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -1.721 -1.585 6.127) 6.559 2.578 ( -6.305 5.092 -0.183) 8.106 2.778 ( 2.947 -2.919 1.532) 4.422 2.967 ( 9.198 8.018 3.122) 12.595 3.114 ( -6.106 -5.060 6.027) 9.960 3.410 ( -2.112 -2.728 -7.411) 8.174 7.914 ( 3.284 0.290 -4.358) 5.464 8.002 ( 1.740 -6.062 -5.960) 8.678 8.639 ( 0.869 -0.623 -3.740) 3.890 8.944 ( -1.968 1.960 1.580) 3.196 9.074 ( -3.100 -2.059 -2.013) 4.231 9.559 ( 9.942 -3.804 -11.209) 15.458 13.044 ( 0.879 -0.132 -1.208) 1.500 13.249 ( -0.750 -0.130 -0.447) 0.883 13.371 ( 1.816 -0.756 -1.093) 2.250 15.744 ( -2.494 -2.732 1.647) 4.050 15.922 ( -0.531 5.642 2.826) 6.332 16.155 ( -0.988 -2.681 1.463) 3.210 16.688 ( 2.378 -0.770 0.854) 2.641 17.218 ( -4.014 4.357 4.731) 7.582 21.608 ( 0.982 -0.089 -1.328) 1.654 24.069 ( -6.528 4.310 10.075) 12.755 24.637 ( -7.860 3.139 16.542) 18.581 25.812 ( 12.898 -7.603 -24.820) 28.986 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -12.537 -3.376 2.676) 13.256 2.509 ( -3.515 4.178 -0.932) 5.539 2.803 ( 2.572 -3.885 2.885) 5.480 2.897 ( -10.455 -7.023 -0.070) 12.595 3.141 ( -4.510 4.668 1.361) 6.632 3.411 ( 8.362 0.524 -0.723) 8.410 7.889 ( -0.273 -4.224 -5.197) 6.703 7.988 ( 4.509 -0.223 -4.075) 6.082 8.676 ( 2.314 8.494 -5.172) 10.210 8.942 ( -1.974 2.396 1.766) 3.571 8.985 ( -2.673 -2.359 -2.873) 4.579 9.625 ( 8.561 1.284 -13.337) 15.900 13.056 ( 1.259 0.699 -1.536) 2.106 13.248 ( 0.406 1.234 -0.238) 1.321 13.390 ( 2.003 -1.065 -0.686) 2.370 15.696 ( -1.608 -3.261 3.643) 5.147 15.975 ( -0.971 3.375 2.069) 4.076 16.133 ( 1.096 -3.300 1.784) 3.908 16.677 ( -2.578 0.900 -3.800) 4.679 17.216 ( -3.230 -1.739 8.937) 9.661 21.622 ( 1.417 0.524 -1.184) 1.919 23.989 ( -7.596 -7.060 11.013) 15.127 24.618 ( -11.388 8.460 6.635) 15.661 25.914 ( 19.331 -1.289 -15.897) 25.061 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -17.449 -3.450 1.582) 17.857 2.444 ( -11.963 4.545 -2.522) 13.043 2.662 ( -6.415 -4.570 1.137) 7.958 2.833 ( 1.918 -2.598 3.376) 4.672 3.026 ( -8.956 -3.590 2.792) 10.045 3.572 ( 5.750 2.477 1.540) 6.448 7.824 ( -0.072 -1.392 -3.213) 3.502 8.037 ( 2.087 1.922 -2.154) 3.562 8.793 ( 2.879 8.859 -3.134) 9.828 8.896 ( -1.699 -3.924 -1.270) 4.461 8.972 ( -0.060 6.728 -0.062) 6.729 9.700 ( 7.223 7.508 -16.799) 19.767 13.078 ( 1.602 1.124 -1.938) 2.754 13.286 ( 1.887 2.835 -0.497) 3.442 13.406 ( 1.661 -1.351 -0.609) 2.226 15.678 ( -0.137 -3.320 5.311) 6.264 15.971 ( -1.946 -1.085 1.440) 2.653 16.159 ( 3.085 -1.631 1.388) 3.756 16.583 ( -5.342 1.463 -6.046) 8.200 17.180 ( -4.492 -5.972 10.891) 13.208 21.647 ( 1.493 0.860 -1.169) 2.082 23.876 ( -3.629 -9.269 11.158) 14.953 24.484 ( -11.526 0.840 -1.408) 11.642 26.194 ( 17.822 7.830 -8.735) 21.336 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -10.942 6.797 17.561) 21.778 2.258 ( -5.383 5.882 12.075) 14.470 2.668 ( 0.165 0.588 2.700) 2.768 2.855 ( -2.066 4.510 7.842) 9.279 2.983 ( -1.635 2.598 7.546) 8.147 3.420 ( -1.477 3.151 2.503) 4.286 7.939 ( -0.036 -2.499 0.668) 2.587 8.057 ( -2.188 -1.646 0.684) 2.821 8.820 ( 0.040 -0.034 2.335) 2.335 8.921 ( -0.121 1.235 2.449) 2.745 9.146 ( -0.721 2.022 0.196) 2.156 10.224 ( 0.490 -27.759 -11.667) 30.116 13.136 ( 1.455 -3.888 -0.578) 4.191 13.337 ( -1.980 -1.832 -1.073) 2.903 13.352 ( 0.991 0.480 -1.378) 1.764 15.810 ( 3.820 1.925 -1.217) 4.447 16.010 ( 3.936 5.103 -0.893) 6.506 16.074 ( -3.965 0.766 -0.371) 4.056 16.508 ( -5.956 -2.451 4.813) 8.041 16.927 ( 2.387 13.652 1.693) 13.962 21.663 ( 0.229 -1.070 -1.285) 1.688 23.611 ( 5.439 10.963 0.197) 12.240 24.308 ( -8.456 4.500 7.839) 12.378 26.647 ( 6.050 -17.188 -9.475) 20.538 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -5.695 6.650 17.991) 20.009 2.321 ( -5.171 4.959 17.680) 19.077 2.652 ( -0.709 -0.583 1.795) 2.016 2.901 ( -3.048 3.284 2.709) 5.236 3.025 ( 0.330 1.825 3.255) 3.746 3.517 ( 2.570 6.573 4.994) 8.646 7.929 ( 1.483 -4.331 1.965) 4.982 8.000 ( -1.987 -2.894 0.526) 3.550 8.824 ( -0.783 -0.666 0.600) 1.190 8.952 ( 0.443 0.861 2.504) 2.684 9.155 ( -0.509 2.455 -0.914) 2.668 9.820 ( -0.785 -38.891 -4.381) 39.145 13.104 ( 0.332 -4.513 -0.447) 4.548 13.292 ( -0.220 -1.976 -1.424) 2.446 13.372 ( 0.937 1.186 -1.183) 1.920 15.879 ( 3.268 0.692 0.061) 3.341 16.004 ( -3.950 1.647 -1.540) 4.548 16.121 ( 2.057 6.759 -2.244) 7.413 16.430 ( -4.054 -1.933 4.852) 6.612 17.113 ( 0.835 15.473 1.105) 15.535 21.645 ( 0.210 -1.549 -1.220) 1.983 23.876 ( 9.251 14.725 -0.162) 17.391 24.202 ( -13.321 8.867 1.468) 16.070 26.509 ( 6.319 -24.075 -4.151) 25.234 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -0.192 7.237 14.947) 16.608 2.402 ( -4.372 1.348 22.179) 22.646 2.691 ( 2.371 3.625 -0.113) 4.333 2.865 ( -3.953 0.631 1.202) 4.180 3.075 ( 1.979 1.413 0.769) 2.551 3.638 ( 1.313 4.550 1.870) 5.092 7.902 ( -0.346 -5.810 1.096) 5.923 7.967 ( 1.288 -3.208 1.312) 3.698 8.768 ( -0.771 -7.594 -2.663) 8.084 8.979 ( -0.245 1.264 1.788) 2.204 9.170 ( 1.688 -0.138 -0.857) 1.898 9.453 ( 1.124 -32.078 2.391) 32.187 13.063 ( 0.076 -3.704 -0.488) 3.736 13.266 ( 0.863 -2.580 -1.651) 3.182 13.385 ( 0.046 1.231 -1.136) 1.676 15.933 ( 0.880 0.261 0.201) 0.940 15.952 ( -2.726 3.970 -1.902) 5.178 16.181 ( -0.120 5.273 -1.930) 5.616 16.403 ( -0.794 -2.097 5.264) 5.722 17.263 ( -1.663 15.408 0.235) 15.500 21.624 ( 0.128 -1.718 -1.220) 2.111 24.047 ( -6.246 9.901 -3.131) 12.118 24.231 ( 5.610 13.792 4.994) 15.704 26.314 ( 1.971 -24.613 -4.771) 25.149 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 6.623 7.710 10.081) 14.316 2.489 ( -1.748 -0.417 18.144) 18.233 2.767 ( -0.050 5.523 1.417) 5.702 2.817 ( -2.232 -0.739 1.471) 2.773 3.131 ( 2.597 0.439 1.420) 2.992 3.655 ( -1.753 0.303 -3.221) 3.680 7.842 ( -0.022 -5.133 -0.550) 5.163 7.971 ( 2.289 -4.192 0.067) 4.777 8.630 ( 2.462 -17.192 -2.173) 17.503 8.994 ( -0.891 1.671 1.266) 2.278 9.200 ( 5.272 -5.356 -0.181) 7.517 9.265 ( -0.641 -12.366 2.973) 12.735 13.031 ( 0.298 -2.564 -0.463) 2.622 13.248 ( 1.346 -2.734 -1.233) 3.288 13.381 ( -0.932 1.166 -1.154) 1.887 15.893 ( -2.671 1.302 -2.934) 4.176 15.975 ( -2.035 4.041 1.894) 4.905 16.211 ( -0.114 3.641 -1.429) 3.912 16.430 ( 2.622 -2.703 5.976) 7.063 17.358 ( -3.812 13.789 -1.196) 14.357 21.601 ( 0.112 -1.505 -1.160) 1.903 24.065 ( -2.264 13.117 0.442) 13.319 24.484 ( 5.681 5.861 8.198) 11.568 26.029 ( -2.956 -20.673 -10.392) 23.326 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 10.755 6.321 3.840) 13.053 2.564 ( 0.056 -0.591 10.484) 10.501 2.801 ( -0.392 1.269 1.231) 1.810 2.811 ( -2.649 3.884 4.592) 6.572 3.179 ( 1.493 -2.461 3.721) 4.705 3.555 ( -4.244 -2.010 -6.810) 8.272 7.806 ( 1.968 -3.397 -2.320) 4.560 7.947 ( 1.639 -5.778 -3.225) 6.817 8.537 ( 5.471 -13.677 1.477) 14.805 9.000 ( -1.220 1.801 1.006) 2.397 9.173 ( -0.179 -7.650 0.887) 7.703 9.251 ( 4.706 -1.721 -1.307) 5.179 13.017 ( 0.642 -1.391 -0.493) 1.609 13.243 ( 1.429 -2.218 -0.154) 2.643 13.364 ( -1.327 0.994 -1.293) 2.103 15.837 ( -2.782 0.097 -2.081) 3.475 15.987 ( -2.775 4.557 2.301) 5.810 16.215 ( -1.757 1.350 -0.569) 2.288 16.520 ( 5.693 -2.058 5.940) 8.481 17.387 ( -5.276 10.418 -2.375) 11.917 21.586 ( 0.337 -0.932 -0.965) 1.383 24.225 ( -0.053 15.770 6.329) 16.993 24.637 ( 4.201 -3.222 11.383) 12.554 25.693 ( -4.331 -14.413 -18.082) 23.525 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 2.873 -2.254 2.681) 4.530 2.646 ( 2.222 4.351 -0.375) 4.900 2.795 ( -4.106 -1.432 5.114) 6.713 2.899 ( 6.356 6.771 1.436) 9.397 3.158 ( -1.651 -6.612 4.793) 8.332 3.420 ( -4.769 0.308 -5.967) 7.645 7.816 ( 4.289 -1.445 -3.688) 5.838 7.878 ( 0.776 -6.060 -4.496) 7.585 8.567 ( 5.531 -2.518 2.190) 6.460 9.002 ( -1.353 1.737 0.971) 2.407 9.098 ( -2.812 -2.241 -1.552) 3.917 9.320 ( 7.567 -2.934 -2.438) 8.474 13.019 ( 0.963 -0.276 -0.650) 1.194 13.249 ( 0.712 -1.007 0.803) 1.471 13.345 ( -0.360 0.372 -1.340) 1.436 15.775 ( -2.817 -1.047 -0.398) 3.032 16.008 ( -1.316 4.048 1.858) 4.645 16.175 ( -2.926 -0.948 0.620) 3.138 16.635 ( 4.777 -0.966 3.986) 6.296 17.358 ( -5.438 5.378 -1.569) 7.808 21.584 ( 0.777 -0.164 -0.727) 1.077 24.319 ( -9.543 1.101 13.318) 16.421 24.813 ( 6.728 8.117 10.251) 14.705 25.400 ( 2.407 -10.790 -23.161) 25.664 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -1.139 -3.009 3.681) 4.888 2.621 ( -7.473 0.687 -2.742) 7.989 2.747 ( 0.694 -2.405 2.274) 3.382 2.975 ( -4.790 -2.343 -0.672) 5.375 3.225 ( 9.244 6.157 3.072) 11.524 3.309 ( -5.066 -1.541 -2.219) 5.741 7.806 ( 1.245 -3.810 -4.046) 5.695 7.884 ( 5.130 1.372 -2.753) 5.982 8.683 ( 4.236 6.385 0.419) 7.674 8.988 ( -2.482 -1.220 -0.975) 2.933 9.027 ( -2.876 3.143 -1.189) 4.423 9.421 ( 8.862 -0.266 -4.434) 9.913 13.034 ( 1.150 0.646 -0.830) 1.558 13.256 ( -0.008 0.714 0.306) 0.777 13.346 ( 1.351 -0.648 -0.600) 1.614 15.720 ( -2.237 -1.991 1.554) 3.374 16.043 ( -0.395 3.539 1.089) 3.724 16.112 ( -2.429 -3.323 1.271) 4.308 16.692 ( 0.281 0.402 -0.147) 0.512 17.301 ( -3.909 -0.690 2.301) 4.588 21.599 ( 1.206 0.548 -0.624) 1.464 24.153 ( -11.612 -10.092 11.873) 19.434 24.908 ( -12.485 5.887 -2.261) 13.988 25.456 ( 24.103 2.642 -9.175) 25.925 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -12.928 -4.204 2.478) 13.818 2.574 ( -0.594 2.888 -0.169) 2.954 2.762 ( -1.095 -3.119 2.139) 3.938 2.821 ( -7.637 0.276 -0.186) 7.644 3.155 ( -8.756 -3.749 0.240) 9.528 3.472 ( 9.953 4.200 0.383) 10.810 7.795 ( 1.268 1.235 -1.353) 2.228 7.981 ( 5.271 2.592 -1.676) 6.108 8.818 ( 2.801 6.763 -0.089) 7.321 8.894 ( -3.752 -1.583 -3.441) 5.331 9.046 ( -0.668 6.052 0.153) 6.091 9.562 ( 8.425 7.789 -8.143) 14.070 13.057 ( 1.095 1.057 -1.057) 1.852 13.276 ( 1.310 2.158 -1.032) 2.727 13.364 ( 1.621 -1.016 0.175) 1.921 15.685 ( -0.889 -2.702 3.384) 4.420 16.018 ( -4.164 -2.010 1.168) 4.769 16.103 ( 2.683 -0.543 0.552) 2.793 16.650 ( -4.292 1.590 -3.878) 5.999 17.243 ( -2.880 -5.657 6.488) 9.076 21.625 ( 1.388 0.991 -0.749) 1.863 23.951 ( -7.435 -10.650 10.389) 16.632 24.636 ( -12.927 -6.288 -7.275) 16.112 25.922 ( 21.497 14.466 -2.956) 26.079 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -13.234 7.128 12.671) 19.660 2.378 ( 0.550 1.139 3.120) 3.367 2.724 ( 0.222 4.141 5.729) 7.072 2.941 ( -0.195 2.156 4.011) 4.558 3.063 ( -0.324 0.408 6.801) 6.821 3.506 ( -3.267 2.775 0.252) 4.294 7.917 ( -1.257 -2.723 -2.166) 3.700 8.059 ( -1.590 -3.650 -1.886) 4.405 8.836 ( 0.749 0.516 3.168) 3.296 8.949 ( 0.063 1.375 0.680) 1.535 9.168 ( 0.675 1.232 1.119) 1.795 9.925 ( -5.182 -20.557 -17.916) 27.756 13.083 ( 0.715 -2.217 -0.706) 2.434 13.325 ( 1.489 0.428 -1.273) 2.005 13.354 ( -2.832 -1.940 -1.257) 3.656 15.764 ( 2.725 1.333 -0.461) 3.068 15.981 ( 4.834 4.457 0.798) 6.623 16.136 ( -2.600 0.019 1.116) 2.829 16.629 ( -6.963 -2.708 5.387) 9.211 16.992 ( 5.413 11.833 0.135) 13.012 21.641 ( -0.059 -0.923 -1.590) 1.840 23.662 ( 2.985 10.548 4.313) 11.780 24.473 ( 1.286 -0.775 16.855) 16.922 26.355 ( -0.911 -12.049 -19.397) 22.853 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -8.951 7.156 14.074) 18.150 2.463 ( 2.897 4.199 4.890) 7.067 2.729 ( -5.402 -0.320 6.972) 8.826 2.980 ( -0.659 2.045 2.329) 3.169 3.063 ( -2.676 -0.360 1.826) 3.259 3.554 ( 2.599 4.633 1.747) 5.592 7.869 ( 0.718 -4.526 -0.444) 4.604 7.983 ( -0.739 -4.940 -1.371) 5.180 8.852 ( -2.093 0.127 1.017) 2.330 8.967 ( 0.105 0.275 2.111) 2.132 9.181 ( -1.478 0.678 -0.845) 1.832 9.484 ( -4.016 -29.224 -7.633) 30.470 13.060 ( 0.110 -2.931 -0.426) 2.964 13.285 ( -2.015 -2.193 -0.719) 3.064 13.353 ( 1.648 1.119 -1.216) 2.334 15.826 ( 3.539 0.921 -0.416) 3.681 16.055 ( -1.607 0.472 -0.846) 1.876 16.136 ( 1.767 5.091 -0.129) 5.390 16.531 ( -5.751 -1.788 4.892) 7.759 17.210 ( 4.890 13.836 -1.010) 14.709 21.619 ( 0.023 -1.398 -1.324) 1.925 23.909 ( 6.277 15.726 4.053) 17.410 24.493 ( -9.439 3.237 7.983) 12.779 26.128 ( 5.477 -20.297 -11.851) 24.134 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -5.533 7.249 12.297) 15.309 2.604 ( 0.938 2.683 13.597) 13.891 2.687 ( -1.844 1.181 3.245) 3.914 2.939 ( -4.374 -1.629 0.086) 4.668 3.061 ( 1.109 1.677 -0.438) 2.058 3.643 ( 2.427 2.081 -1.299) 3.451 7.836 ( 1.151 -6.155 0.220) 6.265 7.930 ( 0.455 -4.289 0.523) 4.344 8.687 ( -7.668 -16.904 -2.298) 18.704 8.991 ( 1.052 -0.668 2.891) 3.148 9.086 ( 0.324 -9.525 0.491) 9.543 9.288 ( 0.585 -5.044 1.207) 5.220 13.029 ( -0.139 -2.763 -0.013) 2.766 13.234 ( -0.819 -2.200 -0.674) 2.443 13.381 ( 1.037 1.256 -1.089) 1.959 15.897 ( 3.705 0.886 -0.080) 3.811 16.004 ( -2.671 1.521 -2.913) 4.235 16.216 ( 1.247 4.587 -0.871) 4.833 16.463 ( -4.042 -1.885 5.439) 7.034 17.399 ( 2.266 14.026 -2.837) 14.488 21.598 ( 0.069 -1.511 -1.008) 1.818 24.160 ( 0.636 13.177 -1.133) 13.241 24.416 ( -5.840 7.191 8.241) 12.399 25.967 ( 6.472 -21.950 -7.729) 24.154 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -0.899 6.566 8.334) 10.648 2.643 ( -4.681 -1.768 14.162) 15.020 2.791 ( 3.462 2.720 5.353) 6.931 2.860 ( -1.649 -0.380 -0.965) 1.948 3.098 ( 1.881 1.450 -1.124) 2.627 3.641 ( -0.442 -1.436 -5.126) 5.342 7.787 ( 0.209 -5.962 0.150) 5.968 7.913 ( 0.438 -3.347 1.140) 3.563 8.383 ( -0.434 -25.135 3.997) 25.455 9.020 ( 0.399 0.700 1.400) 1.616 9.052 ( 2.321 -6.114 2.274) 6.924 9.279 ( -0.904 0.706 0.609) 1.299 13.005 ( 0.026 -2.071 0.370) 2.104 13.205 ( 0.265 -2.004 -0.323) 2.047 13.395 ( -0.034 1.203 -0.987) 1.557 15.920 ( -1.497 0.343 -2.392) 2.842 16.005 ( 2.163 3.326 -1.647) 4.296 16.253 ( -0.678 3.485 -0.680) 3.615 16.433 ( -1.175 -2.520 6.089) 6.694 17.515 ( -1.125 12.681 -5.020) 13.684 21.580 ( 0.065 -1.228 -0.647) 1.389 24.174 ( -2.165 8.383 -5.179) 10.089 24.578 ( 1.369 6.938 15.086) 16.661 25.785 ( 1.576 -17.479 -10.362) 20.381 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 4.776 4.600 2.722) 7.168 2.629 ( -2.280 -3.318 8.728) 9.611 2.815 ( -0.518 -0.698 1.957) 2.142 2.922 ( -0.054 4.158 5.767) 7.110 3.132 ( 2.246 -2.091 0.026) 3.068 3.554 ( -2.615 -1.351 -6.497) 7.133 7.738 ( 0.276 -4.292 -0.024) 4.301 7.867 ( -0.909 -4.873 -0.948) 5.047 8.294 ( 8.469 -16.671 10.139) 21.271 9.027 ( -0.070 0.161 -1.177) 1.190 9.062 ( 2.548 -4.534 3.284) 6.151 9.269 ( -1.843 1.718 -0.099) 2.521 12.995 ( 0.355 -1.148 0.517) 1.308 13.201 ( 1.204 -1.564 0.511) 2.039 13.390 ( -1.138 1.111 -0.996) 1.877 15.869 ( -2.492 0.570 -2.933) 3.890 16.052 ( 0.144 2.436 -0.621) 2.518 16.261 ( -1.450 2.693 -0.746) 3.148 16.463 ( 2.978 -2.617 6.793) 7.865 17.541 ( -4.135 9.796 -7.058) 12.762 21.569 ( 0.151 -0.627 -0.244) 0.690 24.281 ( 8.059 9.745 -3.349) 13.082 24.694 ( -3.431 -3.884 17.859) 18.595 25.550 ( -3.983 -8.136 -14.451) 17.056 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 5.582 -1.296 -1.821) 6.013 2.653 ( 2.340 -0.243 3.998) 4.639 2.814 ( -0.151 -0.635 1.019) 1.210 2.970 ( -2.605 4.319 3.500) 6.140 3.112 ( 0.970 -8.431 3.050) 9.018 3.476 ( -3.237 3.301 -4.375) 6.365 7.721 ( 1.845 -2.108 -0.868) 2.933 7.807 ( 0.095 -3.465 -0.761) 3.549 8.431 ( 10.653 -4.935 10.390) 15.677 9.014 ( 0.552 -1.478 -1.881) 2.455 9.086 ( 1.232 -1.479 3.028) 3.589 9.252 ( -1.037 1.014 -0.753) 1.634 13.001 ( 0.690 -0.156 0.427) 0.826 13.221 ( 1.786 -0.998 1.432) 2.497 13.367 ( -1.832 0.941 -1.182) 2.374 15.811 ( -2.770 0.051 -1.904) 3.362 16.055 ( -0.874 0.918 -0.210) 1.285 16.238 ( -3.282 1.452 -0.257) 3.598 16.563 ( 5.606 -1.838 6.008) 8.420 17.481 ( -5.797 5.634 -7.748) 11.197 21.571 ( 0.417 0.120 0.099) 0.445 24.516 ( -0.610 -1.320 5.530) 5.718 24.674 ( 10.059 -2.937 5.105) 11.657 25.324 ( -9.076 2.252 -10.366) 13.961 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 4.825 -5.300 -0.106) 7.168 2.676 ( -1.966 -0.516 -3.712) 4.232 2.777 ( -3.159 -2.108 1.355) 4.032 3.020 ( 1.612 3.892 -0.430) 4.234 3.095 ( 4.430 -6.564 5.338) 9.550 3.426 ( -5.302 4.672 -1.850) 7.305 7.742 ( 1.929 0.426 -0.398) 2.015 7.811 ( 2.992 0.516 -0.770) 3.132 8.653 ( 8.008 3.715 6.716) 11.092 8.990 ( -0.152 -1.920 -2.043) 2.807 9.108 ( -2.206 4.076 1.571) 4.894 9.276 ( 5.371 -0.590 0.188) 5.406 13.020 ( 0.947 0.680 0.270) 1.196 13.255 ( 1.430 -0.091 1.686) 2.212 13.337 ( -1.233 0.485 -1.308) 1.862 15.753 ( -2.727 -0.749 -0.526) 2.876 16.049 ( 0.297 -0.638 -0.261) 0.750 16.179 ( -4.660 0.407 0.369) 4.693 16.667 ( 3.687 -1.070 3.587) 5.254 17.368 ( -5.246 0.621 -5.696) 7.769 21.587 ( 0.750 0.802 0.212) 1.118 24.294 ( -10.954 -14.651 5.571) 19.123 24.941 ( 8.687 -9.568 -11.051) 17.004 25.265 ( 2.211 22.201 5.620) 23.007 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -1.535 -5.867 0.999) 6.146 2.559 ( -0.719 -3.345 -0.769) 3.507 2.752 ( -0.550 0.886 0.363) 1.104 2.979 ( -6.864 1.150 -0.680) 6.993 3.174 ( 3.332 -7.723 0.734) 8.443 3.409 ( 0.669 7.370 -0.631) 7.427 7.796 ( 1.567 4.194 1.266) 4.652 7.900 ( 5.839 2.655 -1.180) 6.522 8.814 ( 3.153 1.856 2.704) 4.549 8.938 ( -2.861 0.270 -2.528) 3.828 9.115 ( -2.007 4.705 -0.650) 5.157 9.459 ( 10.363 9.450 0.415) 14.031 13.047 ( 0.872 1.046 0.068) 1.363 13.278 ( -0.091 1.375 -0.554) 1.485 13.334 ( 1.371 -0.159 0.330) 1.419 15.700 ( -1.899 -1.727 0.730) 2.669 16.042 ( -0.040 -3.410 0.393) 3.433 16.106 ( -3.522 0.923 -0.127) 3.643 16.697 ( -1.191 0.379 -0.155) 1.259 17.258 ( -2.691 -4.477 -0.805) 5.285 21.613 ( 0.946 1.241 -0.003) 1.561 24.019 ( -7.687 -12.465 2.940) 14.937 24.705 ( -10.470 -13.356 -3.696) 17.369 25.751 ( 17.952 22.977 0.938) 29.173 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 2.952 -0.780 0.219) 3.061 2.433 ( -12.070 3.591 8.537) 15.214 2.765 ( 3.701 3.292 3.589) 6.117 2.968 ( 2.183 1.584 3.269) 4.238 3.089 ( 2.423 -1.012 7.425) 7.876 3.567 ( -2.989 1.364 -4.802) 5.818 7.907 ( -3.061 -2.011 -4.482) 5.788 8.022 ( -1.883 -5.362 -4.053) 6.980 8.840 ( 2.372 0.690 3.698) 4.447 8.934 ( 2.616 1.099 -2.854) 4.024 9.164 ( 1.736 1.168 1.154) 2.390 9.770 ( -10.509 -11.838 -21.655) 26.823 13.060 ( -0.241 -0.765 -0.798) 1.131 13.294 ( 1.530 0.637 -1.509) 2.241 13.377 ( -2.884 -1.688 -1.291) 3.582 15.740 ( 1.101 0.031 1.135) 1.582 15.947 ( 4.839 3.674 2.268) 6.485 16.179 ( -1.313 0.006 2.023) 2.412 16.748 ( -5.994 -3.129 3.475) 7.602 16.989 ( 6.587 8.410 1.934) 10.856 21.628 ( -0.588 -0.459 -1.703) 1.859 23.761 ( 1.886 8.119 9.032) 12.290 24.470 ( 10.383 -3.074 20.058) 22.795 26.207 ( -9.676 -6.544 -25.166) 27.745 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -8.975 3.806 9.544) 13.643 2.434 ( 5.422 2.979 0.596) 6.215 2.838 ( -1.042 1.322 3.962) 4.305 3.011 ( -0.269 -0.053 2.596) 2.610 3.129 ( -2.695 -0.132 3.904) 4.745 3.535 ( 1.970 1.025 -3.622) 4.248 7.820 ( -1.077 -3.451 -2.775) 4.557 7.920 ( -0.441 -6.050 -2.869) 6.710 8.890 ( 0.028 1.040 1.819) 2.095 8.974 ( 1.679 1.217 -0.815) 2.228 9.207 ( -0.702 0.605 0.291) 0.971 9.296 ( -10.395 -19.111 -11.345) 24.536 13.039 ( -0.426 -1.292 -0.669) 1.516 13.302 ( -2.735 -2.193 -0.420) 3.531 13.324 ( 1.840 1.033 -1.138) 2.398 15.778 ( 2.552 0.396 0.089) 2.584 16.054 ( 2.328 1.466 0.377) 2.777 16.166 ( -0.939 1.399 1.139) 2.034 16.645 ( -5.980 -1.839 4.053) 7.455 17.210 ( 7.702 10.234 -0.980) 12.846 21.603 ( -0.443 -0.842 -1.320) 1.627 24.003 ( 5.825 13.400 9.876) 17.636 24.670 ( -0.273 -0.210 14.524) 14.528 25.816 ( -3.512 -14.198 -21.995) 26.415 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -5.901 4.374 8.571) 11.288 2.591 ( 6.821 5.530 1.737) 8.951 2.822 ( -4.714 -1.157 8.116) 9.457 2.976 ( -3.259 -4.086 -0.953) 5.313 3.086 ( -2.588 1.783 1.247) 3.381 3.575 ( 4.058 -0.579 -4.653) 6.201 7.766 ( 0.414 -4.323 -0.682) 4.396 7.861 ( 1.510 -5.405 -0.104) 5.613 8.713 ( -15.580 -15.119 -2.893) 21.902 8.976 ( 0.587 -3.977 4.560) 6.079 9.016 ( 1.497 -1.489 -1.610) 2.655 9.265 ( 1.444 1.119 0.822) 2.004 13.014 ( -0.514 -1.404 -0.071) 1.497 13.238 ( -2.080 -2.039 0.185) 2.919 13.361 ( 1.823 1.231 -1.075) 2.448 15.836 ( 3.782 0.628 -0.583) 3.878 16.042 ( -2.479 0.348 -1.901) 3.144 16.214 ( 2.455 2.505 -0.203) 3.513 16.560 ( -5.301 -1.914 4.865) 7.445 17.420 ( 6.418 10.539 -4.260) 13.054 21.581 ( -0.234 -0.874 -0.732) 1.164 24.301 ( 3.078 14.527 7.926) 16.832 24.629 ( -9.632 0.029 7.294) 12.082 25.585 ( 7.374 -15.821 -13.813) 22.259 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -4.603 3.795 5.208) 7.919 2.773 ( 1.653 5.663 0.785) 5.951 2.798 ( -0.396 -3.951 15.514) 16.014 2.847 ( -2.207 -5.364 -2.652) 6.377 3.090 ( -0.052 2.355 -1.829) 2.983 3.574 ( 1.718 -2.110 -6.390) 6.945 7.737 ( 0.215 -3.050 1.148) 3.266 7.866 ( 3.256 -4.195 3.062) 6.130 8.300 ( -12.140 -18.881 6.756) 23.442 8.994 ( 1.339 -2.867 3.163) 4.474 9.023 ( 0.745 0.499 -1.358) 1.627 9.300 ( 0.287 1.485 1.046) 1.839 12.996 ( -0.356 -1.160 0.734) 1.418 13.196 ( -1.029 -1.405 0.523) 1.818 13.392 ( 1.063 1.178 -0.883) 1.815 15.899 ( 2.927 0.121 -1.414) 3.253 15.998 ( -0.873 2.290 -3.379) 4.174 16.267 ( 1.606 1.743 -1.091) 2.609 16.493 ( -3.924 -2.665 5.858) 7.538 17.564 ( 3.297 9.340 -7.612) 12.492 21.569 ( -0.104 -0.541 -0.091) 0.558 24.311 ( -10.162 7.636 -6.800) 14.415 24.689 ( 3.923 -2.007 20.003) 20.483 25.514 ( 6.231 -7.221 -12.092) 15.401 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -1.232 1.369 1.173) 2.183 2.674 ( -3.920 -8.894 4.391) 10.665 2.831 ( -0.000 0.232 3.458) 3.466 2.952 ( 4.445 0.565 7.307) 8.571 3.088 ( -0.186 0.615 -3.852) 3.905 3.531 ( -0.022 0.436 -5.780) 5.796 7.726 ( -0.936 -0.568 2.656) 2.873 7.881 ( -3.170 -2.080 2.303) 4.436 8.100 ( 3.649 -15.756 15.619) 22.484 8.989 ( 0.403 -2.555 -0.513) 2.637 9.042 ( 1.311 -0.153 1.057) 1.691 9.315 ( -1.175 1.576 1.246) 2.328 12.990 ( -0.041 -0.610 1.324) 1.458 13.183 ( 0.102 -0.695 1.024) 1.242 13.406 ( -0.108 1.067 -0.720) 1.292 15.889 ( -1.408 0.140 -3.052) 3.364 16.032 ( 2.828 2.453 -3.010) 4.803 16.289 ( 0.257 1.353 -1.163) 1.803 16.462 ( -0.888 -3.196 6.757) 7.527 17.609 ( -0.548 6.951 -10.587) 12.677 21.566 ( -0.051 0.038 0.488) 0.492 24.233 ( 0.345 5.725 -7.126) 9.147 24.780 ( -0.508 -13.559 17.203) 21.910 25.491 ( 0.082 6.386 -9.046) 11.073 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 2.119 -2.163 -2.790) 4.117 2.592 ( 2.258 -9.651 4.986) 11.095 2.844 ( -1.473 2.352 -0.652) 2.851 3.014 ( 0.936 -8.551 -0.378) 8.611 3.058 ( -0.596 1.791 4.211) 4.615 3.526 ( -0.596 5.005 -3.605) 6.197 7.728 ( -1.904 1.784 3.840) 4.642 7.800 ( -2.542 -2.945 2.757) 4.768 8.269 ( 12.226 -4.769 16.780) 21.302 8.962 ( 0.579 -2.622 -2.053) 3.380 9.077 ( 1.823 -0.253 2.642) 3.220 9.305 ( -2.775 1.549 1.230) 3.408 13.000 ( 0.266 0.177 1.558) 1.590 13.198 ( 1.141 -0.180 1.592) 1.967 13.399 ( -1.381 0.926 -0.717) 1.810 15.840 ( -2.094 0.190 -2.768) 3.476 16.058 ( 0.402 0.676 -2.708) 2.820 16.288 ( -1.176 1.248 -1.231) 2.111 16.499 ( 3.622 -3.065 6.957) 8.421 17.547 ( -3.766 3.851 -12.369) 13.491 21.574 ( 0.047 0.673 0.906) 1.129 24.339 ( 10.572 3.806 -8.648) 14.179 24.644 ( -4.440 -17.621 7.468) 19.647 25.515 ( -6.138 12.828 1.842) 14.340 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 4.326 -6.036 -2.732) 7.913 2.606 ( 4.761 -7.638 0.338) 9.007 2.822 ( -2.530 2.259 -1.942) 3.908 2.924 ( 1.868 -7.848 -0.935) 8.122 3.093 ( -0.158 -1.204 4.314) 4.481 3.532 ( -2.717 4.818 -2.151) 5.935 7.755 ( -0.180 2.990 3.514) 4.617 7.789 ( 0.377 0.711 1.875) 2.040 8.579 ( 11.504 2.953 12.655) 17.356 8.936 ( 1.290 -2.709 -2.355) 3.815 9.159 ( 4.650 2.352 6.086) 8.012 9.267 ( -4.268 1.484 0.896) 4.606 13.022 ( 0.463 0.917 1.554) 1.863 13.237 ( 1.859 0.265 1.947) 2.705 13.369 ( -2.304 0.727 -0.938) 2.592 15.786 ( -2.473 -0.221 -1.954) 3.160 16.036 ( -0.532 -0.815 -2.071) 2.289 16.252 ( -3.241 0.455 -0.834) 3.377 16.598 ( 5.482 -2.697 5.766) 8.401 17.407 ( -5.144 0.470 -12.071) 13.129 21.593 ( 0.233 1.201 1.043) 1.607 24.283 ( -5.444 -13.135 -8.502) 16.566 24.635 ( 11.926 -4.986 -0.379) 12.932 25.572 ( -6.893 17.270 9.065) 20.686 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 7.337 -6.606 -0.919) 9.915 2.543 ( -1.952 -7.264 -1.886) 7.755 2.789 ( -2.043 2.088 -1.794) 3.428 2.944 ( 7.431 -7.445 -2.414) 10.792 3.077 ( -1.012 -3.141 2.622) 4.215 3.506 ( -3.452 4.177 -1.010) 5.512 7.831 ( 4.100 2.286 0.312) 4.704 7.843 ( 0.634 5.433 3.122) 6.298 8.793 ( 3.588 1.217 3.801) 5.367 8.925 ( 1.736 -1.534 -2.030) 3.080 9.203 ( -4.361 0.550 -0.496) 4.424 9.420 ( 10.315 13.492 10.160) 19.790 13.051 ( 0.435 1.262 1.369) 1.912 13.287 ( 1.391 1.064 1.597) 2.370 13.330 ( -1.534 0.444 -0.984) 1.876 15.725 ( -2.672 -0.891 -1.545) 3.213 16.008 ( 0.217 -1.880 -1.296) 2.293 16.180 ( -4.484 -0.306 -0.475) 4.519 16.685 ( 3.186 -1.981 3.806) 5.344 17.243 ( -3.797 -3.150 -8.935) 10.206 21.618 ( 0.377 1.513 0.808) 1.757 23.996 ( -5.824 -11.363 -7.832) 14.979 24.662 ( -0.436 -13.997 2.578) 14.239 25.808 ( 5.100 23.865 5.607) 25.039 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 4.609 -2.676 -0.209) 5.334 2.673 ( -8.392 -3.010 5.317) 10.380 2.696 ( 8.834 3.870 0.351) 9.651 2.932 ( 4.588 -0.825 1.938) 5.048 3.058 ( 5.765 -1.130 7.922) 9.863 3.581 ( -2.185 1.047 -6.408) 6.851 7.920 ( -3.219 -1.380 -4.931) 6.048 7.976 ( -3.342 -5.500 -5.540) 8.492 8.796 ( 5.774 1.962 -0.681) 6.137 8.876 ( 1.358 0.304 -2.646) 2.990 9.153 ( 2.144 2.263 0.345) 3.136 9.743 ( -12.126 -4.638 -22.809) 26.245 13.064 ( -1.213 0.300 -1.056) 1.636 13.269 ( 1.097 1.066 -1.646) 2.247 13.400 ( -2.574 -1.459 -1.310) 3.236 15.736 ( 0.564 -1.060 2.731) 2.984 15.927 ( 3.038 2.514 3.386) 5.197 16.210 ( -0.549 0.302 2.421) 2.501 16.766 ( 1.758 -0.383 -4.855) 5.178 17.007 ( 1.574 1.542 11.182) 11.397 21.630 ( -1.138 0.099 -1.654) 2.010 23.855 ( 1.923 1.454 13.361) 13.577 24.366 ( 13.123 1.527 15.178) 20.123 26.208 ( -14.323 -3.224 -24.069) 28.194 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 6.552 2.147 0.668) 6.927 2.551 ( -7.386 -1.056 5.992) 9.569 2.832 ( 4.110 1.057 0.022) 4.244 3.006 ( 2.447 -0.991 1.451) 3.013 3.175 ( 2.606 0.540 5.719) 6.308 3.491 ( -2.391 -1.053 -6.586) 7.085 7.810 ( -3.579 -1.511 -4.525) 5.964 7.858 ( -1.012 -4.621 -3.028) 5.617 8.887 ( 2.429 0.805 -5.750) 6.294 8.904 ( 4.079 0.929 1.709) 4.519 9.211 ( 1.580 2.301 0.704) 2.878 9.324 ( -15.169 -8.285 -12.324) 21.228 13.039 ( -1.021 -0.037 -1.054) 1.468 13.293 ( 1.490 1.147 -1.681) 2.522 13.331 ( -2.697 -2.025 0.150) 3.376 15.750 ( 1.010 -0.730 1.321) 1.816 16.022 ( 3.386 1.145 1.525) 3.887 16.202 ( -1.574 -0.587 1.620) 2.334 16.730 ( -3.036 -0.953 0.194) 3.188 17.164 ( 6.505 4.927 3.867) 9.030 21.602 ( -0.996 -0.110 -1.277) 1.623 24.064 ( 7.717 3.695 15.277) 17.510 24.689 ( 9.860 4.906 11.712) 16.077 25.718 ( -16.167 -8.841 -24.046) 30.295 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -4.283 0.980 4.980) 6.641 2.533 ( 7.169 5.168 2.277) 9.126 2.874 ( 1.239 -2.413 1.642) 3.171 2.981 ( -3.521 -3.322 -0.515) 4.868 3.195 ( -4.938 1.936 2.841) 6.017 3.444 ( 4.355 -2.541 -6.469) 8.201 7.737 ( -0.963 -1.135 -1.110) 1.857 7.802 ( -0.086 -2.917 -0.368) 2.941 8.817 ( -9.728 -4.678 -9.650) 14.479 8.959 ( 0.516 -3.266 3.505) 4.819 9.005 ( -3.953 -1.302 1.700) 4.495 9.265 ( 1.372 2.368 1.080) 2.943 13.017 ( -0.862 -0.108 -0.450) 0.978 13.261 ( -2.437 -1.893 0.518) 3.128 13.333 ( 1.892 1.257 -0.945) 2.460 15.779 ( 2.575 -0.295 -0.214) 2.601 16.063 ( -0.296 0.230 -0.641) 0.742 16.190 ( 1.010 -0.529 0.082) 1.143 16.659 ( -4.842 -1.734 3.130) 6.021 17.350 ( 7.871 5.871 -2.382) 10.104 21.580 ( -0.666 -0.038 -0.544) 0.860 24.353 ( 10.262 -0.189 16.839) 19.721 24.886 ( -8.524 11.266 4.817) 14.926 25.265 ( -0.846 -11.683 -19.667) 22.891 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -4.414 1.026 3.340) 5.630 2.725 ( 6.956 1.632 0.704) 7.179 2.828 ( -2.944 -4.410 -1.902) 5.633 2.875 ( -2.701 -4.247 7.152) 8.746 3.140 ( -4.153 2.561 -0.363) 4.892 3.462 ( 4.291 -1.408 -6.204) 7.673 7.744 ( 0.455 1.555 3.327) 3.701 7.792 ( 1.740 -3.076 2.528) 4.345 8.468 ( -16.991 -8.262 4.197) 19.354 8.970 ( 1.429 -1.930 2.239) 3.283 9.002 ( 0.279 0.148 -1.261) 1.300 9.317 ( 0.833 2.115 2.225) 3.181 13.003 ( -0.689 -0.041 0.573) 0.897 13.215 ( -1.792 -0.995 1.100) 2.326 13.372 ( 1.821 1.177 -0.791) 2.308 15.827 ( 3.773 -0.182 -1.792) 4.181 16.026 ( -2.399 1.022 -2.276) 3.462 16.222 ( 3.176 -0.506 -1.476) 3.539 16.579 ( -4.840 -2.741 4.883) 7.402 17.496 ( 6.452 4.822 -7.525) 11.023 21.572 ( -0.350 0.305 0.297) 0.551 24.518 ( -4.582 -2.813 -2.360) 5.872 24.679 ( -4.821 -6.412 9.560) 12.480 25.319 ( 9.321 8.554 -5.570) 13.823 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -5.218 -2.310 0.325) 5.716 2.628 ( -2.308 -11.446 -2.283) 11.897 2.856 ( -0.001 -6.531 9.464) 11.499 2.907 ( 4.097 1.641 1.105) 4.550 3.105 ( -2.079 3.418 -3.154) 5.094 3.487 ( 2.723 2.646 -4.874) 6.179 7.786 ( -1.368 2.611 3.891) 4.881 7.866 ( 5.424 -0.998 6.707) 8.683 8.182 ( -13.762 -6.398 13.874) 20.562 8.968 ( -0.669 -1.645 -0.567) 1.865 9.009 ( 2.145 -1.002 -0.326) 2.390 9.361 ( -0.414 1.834 3.785) 4.227 13.001 ( -0.393 0.203 1.533) 1.595 13.196 ( -0.930 0.103 1.424) 1.704 13.404 ( 1.046 1.021 -0.485) 1.540 15.862 ( 2.142 -0.744 -3.289) 3.994 16.001 ( 0.279 2.215 -3.323) 4.003 16.257 ( 2.743 -0.246 -2.102) 3.465 16.512 ( -3.501 -3.505 6.192) 7.930 17.555 ( 3.435 2.587 -11.681) 12.447 21.578 ( -0.192 0.792 1.000) 1.290 24.290 ( -7.424 1.039 -9.470) 12.078 24.673 ( 2.701 -16.506 8.093) 18.581 25.550 ( 4.001 15.417 2.716) 16.157 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -1.721 -5.803 -2.109) 6.410 2.471 ( -0.242 -14.600 2.003) 14.739 2.859 ( 1.346 -4.737 3.234) 5.892 2.928 ( 0.013 -3.507 -1.138) 3.687 3.093 ( -0.635 1.493 -1.452) 2.177 3.543 ( 1.678 5.397 -3.336) 6.563 7.811 ( -1.113 1.224 4.272) 4.582 7.901 ( -6.228 -0.043 4.922) 7.938 8.197 ( 5.648 1.439 21.476) 22.253 8.926 ( -0.707 -2.005 -2.247) 3.093 9.043 ( 2.857 -1.193 1.121) 3.292 9.388 ( -2.248 1.844 5.861) 6.542 13.015 ( -0.031 0.732 2.191) 2.310 13.203 ( -0.046 0.804 1.600) 1.791 13.419 ( -0.249 0.861 -0.206) 0.919 15.842 ( -0.441 -0.631 -3.627) 3.707 16.022 ( 1.922 1.355 -4.086) 4.714 16.282 ( 1.554 0.415 -2.073) 2.624 16.483 ( -0.367 -3.885 6.936) 7.958 17.510 ( 0.035 0.109 -14.409) 14.410 21.593 ( -0.161 1.241 1.434) 1.903 24.211 ( 2.241 2.484 -8.477) 9.113 24.534 ( -1.465 -16.126 -1.683) 16.280 25.765 ( -1.723 14.559 10.767) 18.190 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 1.181 -8.186 -3.701) 9.061 2.394 ( 6.689 -15.586 3.554) 17.329 2.824 ( 0.317 -6.868 -1.770) 7.099 2.872 ( -2.238 0.018 -1.332) 2.605 3.084 ( 0.645 -2.027 -1.407) 2.550 3.580 ( -0.384 3.029 -2.274) 3.807 7.806 ( -2.092 -1.551 4.027) 4.796 7.871 ( -2.945 4.560 5.261) 7.559 8.518 ( 10.153 5.902 15.690) 19.598 8.882 ( 0.042 -2.369 -2.340) 3.330 9.113 ( 5.063 0.306 2.775) 5.782 9.406 ( -4.086 3.365 10.325) 11.603 13.042 ( 0.131 1.349 2.537) 2.876 13.231 ( 0.951 1.119 1.663) 2.218 13.408 ( -1.754 0.652 -0.136) 1.876 15.799 ( -1.204 -0.629 -3.096) 3.381 16.019 ( -0.000 0.129 -3.845) 3.847 16.282 ( -0.790 0.366 -1.907) 2.096 16.521 ( 3.909 -3.886 6.595) 8.595 17.379 ( -2.581 -1.929 -15.278) 15.614 21.614 ( -0.119 1.530 1.559) 2.188 24.176 ( -2.994 -5.230 -12.813) 14.160 24.408 ( 7.697 -7.308 -2.665) 10.943 25.921 ( -5.933 14.020 15.203) 21.515 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 6.374 -9.292 -3.126) 11.694 2.397 ( 7.055 -13.456 0.705) 15.210 2.762 ( 2.774 -7.713 0.413) 8.207 2.829 ( -2.157 1.289 -3.019) 3.928 3.041 ( 0.401 -5.179 -4.094) 6.614 3.567 ( -1.580 0.645 -0.553) 1.794 7.806 ( 0.869 0.230 1.864) 2.069 7.923 ( -0.558 5.051 4.180) 6.580 8.766 ( 4.874 2.361 4.579) 7.092 8.854 ( 1.551 -2.452 -2.144) 3.607 9.215 ( 2.194 -0.071 -0.988) 2.408 9.547 ( 2.774 13.346 20.014) 24.215 13.076 ( -0.050 1.728 2.505) 3.044 13.279 ( 1.922 1.445 1.759) 2.979 13.371 ( -2.861 0.398 -0.332) 2.907 15.746 ( -2.098 -0.577 -2.892) 3.619 15.984 ( -0.648 -0.740 -3.061) 3.215 16.237 ( -3.051 -0.431 -1.189) 3.303 16.609 ( 5.504 -3.730 5.685) 8.748 17.199 ( -3.430 -3.582 -14.009) 14.861 21.638 ( -0.054 1.630 1.346) 2.115 23.924 ( -5.755 -7.379 -13.201) 16.181 24.491 ( 7.690 -8.972 0.078) 11.817 26.076 ( -3.804 17.515 12.933) 22.103 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 8.314 -4.542 0.719) 9.501 2.476 ( 14.543 -2.185 -4.272) 15.314 2.771 ( 2.182 -1.002 3.491) 4.237 2.845 ( 1.464 -3.325 1.229) 3.835 2.991 ( 6.488 -0.952 7.743) 10.147 3.587 ( -0.961 0.598 -2.923) 3.135 7.888 ( -0.242 -3.782 -4.204) 5.660 7.981 ( -4.522 -1.500 -5.654) 7.393 8.726 ( 2.691 4.408 -4.403) 6.786 8.849 ( 1.187 -0.587 -0.128) 1.330 9.141 ( 2.625 3.724 -0.168) 4.559 9.769 ( -11.366 0.271 -24.405) 26.923 13.089 ( -1.861 0.908 -1.832) 2.765 13.260 ( 0.116 1.563 -1.402) 2.103 13.417 ( -2.080 -1.562 -1.222) 2.874 15.732 ( 1.107 -0.912 3.682) 3.951 15.940 ( 0.318 0.783 3.968) 4.057 16.238 ( -0.459 0.209 2.442) 2.494 16.656 ( 5.605 0.680 -6.945) 8.950 17.074 ( 1.156 -2.437 14.733) 14.978 21.646 ( -1.448 0.481 -1.539) 2.167 23.890 ( 1.479 -6.950 15.190) 16.769 24.287 ( 11.282 8.502 9.101) 16.805 26.291 ( -14.688 -1.018 -20.719) 25.418 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 8.385 1.143 1.910) 8.675 2.605 ( 3.875 -4.020 0.910) 5.657 2.782 ( 0.085 0.797 1.178) 1.425 2.917 ( 7.353 -1.133 0.245) 7.444 3.119 ( 5.326 -1.193 2.850) 6.157 3.525 ( -4.518 -0.344 -2.320) 5.091 7.822 ( -1.079 -2.153 -2.855) 3.735 7.853 ( -4.917 0.759 -4.733) 6.867 8.792 ( 3.547 4.182 -7.830) 9.559 8.884 ( 2.424 0.103 2.604) 3.559 9.212 ( 1.654 2.628 0.538) 3.151 9.431 ( -12.441 0.036 -15.496) 19.872 13.056 ( -1.461 0.655 -1.643) 2.294 13.275 ( 0.812 1.772 -1.802) 2.654 13.356 ( -2.387 -2.144 0.216) 3.216 15.743 ( -0.048 -1.819 2.443) 3.046 15.991 ( 2.243 0.179 2.426) 3.309 16.227 ( -1.448 -1.741 1.625) 2.787 16.711 ( 3.376 1.502 -5.225) 6.400 17.164 ( 1.783 -1.219 11.484) 11.685 21.616 ( -1.376 0.489 -1.282) 1.943 24.010 ( 7.827 -6.533 15.719) 18.736 24.621 ( 12.235 9.255 3.987) 15.851 25.842 ( -19.959 -2.757 -17.789) 26.878 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 8.406 3.874 1.188) 9.332 2.587 ( -2.585 -2.193 4.847) 5.915 2.799 ( 2.428 -3.097 -1.184) 4.110 3.000 ( 0.355 -0.443 1.396) 1.507 3.205 ( 6.636 0.411 -3.779) 7.648 3.403 ( -6.731 -1.856 -0.571) 7.005 7.763 ( -2.886 1.945 -2.216) 4.126 7.802 ( -0.819 1.104 -0.098) 1.378 8.810 ( 0.358 3.068 -8.424) 8.973 8.942 ( 1.453 -0.908 2.668) 3.171 9.133 ( -10.235 -2.918 -1.427) 10.738 9.288 ( -0.203 5.957 -0.948) 6.035 13.033 ( -1.022 0.747 -0.892) 1.549 13.281 ( -1.113 -0.601 -0.550) 1.380 13.318 ( 0.225 0.420 0.133) 0.494 15.742 ( 0.897 -1.650 0.705) 2.006 16.044 ( 2.370 0.231 0.387) 2.413 16.180 ( -1.699 -3.142 0.286) 3.583 16.714 ( -1.367 -0.390 -0.740) 1.603 17.268 ( 4.931 0.381 3.498) 6.058 21.595 ( -1.009 0.683 -0.573) 1.346 24.198 ( 11.393 -10.367 13.105) 20.224 24.917 ( 12.758 3.551 -3.810) 13.780 25.377 ( -22.998 6.223 -8.209) 25.200 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -3.088 -0.179 2.878) 4.225 2.603 ( 5.273 -4.173 -0.772) 6.769 2.793 ( 2.245 -1.139 -2.111) 3.285 2.931 ( -5.199 -4.598 2.709) 7.450 3.262 ( -6.769 1.855 0.754) 7.059 3.325 ( 6.960 0.527 -4.488) 8.299 7.751 ( 0.190 0.825 1.319) 1.567 7.827 ( -0.761 4.713 2.725) 5.497 8.709 ( -11.434 2.259 -1.587) 11.763 8.936 ( 0.459 -3.611 2.682) 4.521 9.022 ( -2.781 0.819 0.220) 2.907 9.351 ( 0.475 4.454 2.832) 5.299 13.024 ( -0.785 0.903 0.242) 1.221 13.246 ( -1.760 -0.501 1.087) 2.129 13.348 ( 1.741 1.215 -0.598) 2.205 15.754 ( 2.481 -1.278 -1.600) 3.217 16.062 ( -1.646 0.801 -0.803) 1.999 16.140 ( 2.577 -3.206 -1.484) 4.373 16.658 ( -4.006 -2.338 2.969) 5.507 17.367 ( 6.125 0.153 -4.279) 7.473 21.589 ( -0.548 1.024 0.329) 1.207 24.310 ( 9.256 -14.935 0.969) 17.598 24.837 ( -8.901 -10.554 -3.299) 14.194 25.365 ( 0.733 24.988 3.226) 25.206 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -6.386 -9.145 -0.235) 11.157 2.539 ( -1.774 -5.936 -3.237) 6.990 2.826 ( -1.394 -10.255 6.012) 11.969 2.856 ( 4.092 1.831 -2.337) 5.056 3.166 ( -3.933 -1.182 -0.948) 4.215 3.442 ( 4.169 6.966 -3.038) 8.668 7.792 ( 2.269 -1.432 4.224) 5.004 7.901 ( -0.013 6.278 4.567) 7.763 8.522 ( -15.639 4.479 9.904) 19.046 8.945 ( 2.348 -2.688 0.910) 3.683 8.980 ( -2.151 -0.285 -1.834) 2.841 9.425 ( -0.298 3.600 6.903) 7.791 13.026 ( -0.612 1.058 1.350) 1.821 13.231 ( -1.334 0.933 1.437) 2.172 13.387 ( 1.785 0.995 -0.265) 2.061 15.775 ( 3.395 -1.329 -3.928) 5.359 16.016 ( -2.071 0.322 -2.040) 2.925 16.174 ( 4.216 -0.979 -2.221) 4.865 16.583 ( -4.295 -3.507 5.220) 7.616 17.409 ( 4.995 -1.745 -10.000) 11.314 21.599 ( -0.234 1.384 1.096) 1.781 24.224 ( 2.385 -11.554 -11.300) 16.336 24.624 ( -6.503 -8.330 4.563) 11.511 25.682 ( 4.486 20.477 7.399) 22.230 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -3.881 -14.315 -0.991) 14.865 2.390 ( -5.284 -10.531 0.252) 11.785 2.767 ( 2.150 -8.967 2.450) 9.541 2.897 ( 1.540 -0.846 -1.698) 2.443 3.088 ( -1.293 -2.593 -4.144) 5.057 3.546 ( 1.986 6.210 -2.407) 6.949 7.838 ( 1.216 -2.057 5.078) 5.612 7.979 ( -0.491 1.873 4.355) 4.766 8.456 ( -9.778 11.176 16.652) 22.311 8.917 ( -2.058 -1.335 -2.272) 3.343 8.975 ( 3.352 -2.239 0.354) 4.047 9.504 ( -1.753 3.540 12.183) 12.807 13.043 ( -0.255 1.454 2.226) 2.671 13.235 ( -0.976 1.802 1.303) 2.429 13.421 ( 1.011 0.845 0.304) 1.353 15.782 ( 2.580 -1.573 -5.277) 6.080 15.988 ( 0.230 0.659 -3.012) 3.092 16.223 ( 3.604 0.326 -2.334) 4.306 16.520 ( -3.082 -4.052 6.425) 8.198 17.369 ( 2.839 -3.980 -13.612) 14.463 21.620 ( -0.155 1.609 1.524) 2.222 24.111 ( 3.636 -4.989 -10.325) 12.029 24.444 ( -6.322 -8.479 -3.218) 11.055 25.989 ( 2.114 15.757 13.324) 20.743 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 0.836 -14.629 -1.563) 14.736 2.192 ( -1.574 -17.597 4.479) 18.226 2.732 ( 1.685 -6.268 -2.058) 6.809 2.877 ( -0.537 -2.256 -0.838) 2.466 3.012 ( 0.643 -4.415 -7.257) 8.519 3.589 ( 0.120 1.842 -1.754) 2.546 7.849 ( -1.237 -2.520 4.717) 5.489 7.982 ( -2.421 0.690 4.639) 5.278 8.603 ( 0.217 11.031 11.504) 15.939 8.858 ( -1.288 -1.690 -1.903) 2.853 9.036 ( 5.191 -0.558 1.359) 5.395 9.609 ( -2.996 5.757 20.106) 21.127 13.075 ( 0.042 1.940 2.855) 3.452 13.249 ( -0.306 1.986 0.929) 2.214 13.437 ( -0.548 0.652 0.814) 1.178 15.764 ( 1.164 -1.329 -4.972) 5.277 15.988 ( 1.032 0.636 -3.590) 3.789 16.263 ( 1.817 0.831 -2.431) 3.146 16.491 ( -0.214 -4.397 6.704) 8.020 17.256 ( 0.666 -5.396 -15.233) 16.174 21.644 ( -0.192 1.629 1.610) 2.298 24.113 ( 4.164 -0.545 -8.843) 9.790 24.207 ( -3.569 -8.214 -10.384) 13.713 26.231 ( -2.078 12.433 17.711) 21.738 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 2.939 -13.898 -3.648) 14.667 2.107 ( 8.369 -19.586 6.789) 22.355 2.669 ( 0.725 -6.653 -2.251) 7.060 2.837 ( -0.906 -1.628 -2.757) 3.327 2.917 ( 1.121 -7.254 -8.822) 11.476 3.577 ( -0.572 -1.395 0.060) 1.509 7.824 ( -1.467 -1.906 3.213) 4.013 7.997 ( -0.641 1.563 3.947) 4.294 8.746 ( 2.625 3.541 1.532) 4.666 8.817 ( -0.667 -1.981 -0.292) 2.111 9.147 ( 5.284 1.195 -0.487) 5.439 9.814 ( -0.768 12.115 26.853) 29.469 13.116 ( -0.108 2.287 3.043) 3.808 13.279 ( 0.989 1.909 0.864) 2.317 13.423 ( -2.375 0.280 1.029) 2.603 15.737 ( 0.111 -0.530 -3.989) 4.025 15.973 ( -0.693 0.401 -3.755) 3.840 16.259 ( -1.059 0.050 -1.931) 2.203 16.522 ( 3.884 -4.362 6.050) 8.409 17.096 ( -0.985 -5.764 -15.057) 16.153 21.666 ( -0.207 1.487 1.420) 2.067 23.899 ( -8.389 -3.389 -14.000) 16.669 24.242 ( 11.019 -4.807 -5.557) 13.244 26.406 ( -4.814 12.237 17.727) 22.072 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -0.000 0.000 21.691) 21.691 1.552 ( -0.000 0.000 21.691) 21.691 2.544 ( -0.000 0.000 32.654) 32.654 2.724 ( -0.000 0.000 1.435) 1.435 2.724 ( -0.000 0.000 1.435) 1.435 3.343 ( -0.000 0.000 0.480) 0.480 7.982 ( -0.000 0.000 3.789) 3.789 7.982 ( -0.000 0.000 3.789) 3.789 8.859 ( -0.000 0.000 1.604) 1.604 8.859 ( -0.000 0.000 1.604) 1.604 9.028 ( -0.000 0.000 2.172) 2.172 11.259 ( 0.000 -0.000 -6.755) 6.755 13.346 ( -0.000 0.000 0.218) 0.218 13.357 ( 0.000 -0.000 -1.309) 1.309 13.357 ( 0.000 -0.000 -1.309) 1.309 15.861 ( 0.000 -0.000 -3.185) 3.185 15.861 ( 0.000 -0.000 -3.185) 3.185 15.958 ( 0.000 -0.000 -0.616) 0.616 16.500 ( -0.000 0.000 4.607) 4.607 16.500 ( -0.000 0.000 4.607) 4.607 21.700 ( 0.000 -0.000 -0.402) 0.402 23.602 ( 0.000 -0.000 -2.475) 2.475 23.602 ( 0.000 -0.000 -2.475) 2.475 27.409 ( 0.000 -0.000 -0.991) 0.991 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -2.937 -0.039 21.870) 22.067 1.897 ( 10.801 3.592 18.378) 21.617 2.665 ( -0.048 -5.691 7.219) 9.192 2.744 ( -0.263 4.632 7.022) 8.417 2.849 ( 4.624 3.024 12.578) 13.738 3.365 ( 0.631 1.223 2.779) 3.101 7.987 ( -0.858 -0.709 2.994) 3.194 8.032 ( 1.304 1.067 3.738) 4.100 8.845 ( -1.060 -0.073 1.371) 1.735 8.887 ( 0.667 -0.212 2.206) 2.315 9.068 ( 1.922 1.315 1.246) 2.641 11.007 ( -15.938 -8.703 -6.298) 19.220 13.282 ( -2.951 -3.437 -0.296) 4.540 13.352 ( -0.236 1.177 -1.330) 1.792 13.364 ( -0.610 1.412 -1.276) 1.999 15.782 ( -0.097 -4.552 -2.827) 5.359 15.953 ( 3.729 2.050 -1.147) 4.408 15.956 ( 0.882 3.078 -2.305) 3.945 16.497 ( 0.542 0.840 4.933) 5.033 16.626 ( 4.791 1.645 3.850) 6.362 21.691 ( -0.491 -0.241 -0.594) 0.807 23.505 ( -1.736 -2.058 -1.699) 3.184 23.837 ( 15.070 9.755 -2.375) 18.108 27.252 ( -12.423 -6.617 -1.373) 14.142 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 5.246 4.579 19.815) 21.002 2.207 ( 9.094 2.559 13.102) 16.152 2.638 ( 0.198 -4.751 2.924) 5.582 2.840 ( 3.207 1.111 4.107) 5.328 3.017 ( 2.030 3.084 9.946) 10.610 3.426 ( 0.693 3.263 4.858) 5.893 7.975 ( -1.301 -0.668 0.977) 1.759 8.082 ( 0.706 1.022 2.170) 2.500 8.844 ( -0.506 0.336 1.878) 1.974 8.910 ( 0.815 -0.509 1.832) 2.068 9.121 ( 1.787 1.364 0.622) 2.333 10.560 ( -18.506 -9.000 -8.881) 22.413 13.193 ( -3.294 -2.582 -0.701) 4.244 13.342 ( -0.645 -0.003 -1.650) 1.771 13.364 ( -0.382 2.304 -1.479) 2.764 15.732 ( 1.125 -4.285 -1.612) 4.714 15.940 ( 0.096 -1.988 -0.474) 2.046 16.061 ( 3.362 4.793 -1.269) 5.990 16.584 ( 3.048 2.504 6.197) 7.345 16.736 ( 4.519 0.346 1.728) 4.851 21.671 ( -0.819 -0.357 -1.036) 1.368 23.486 ( 1.412 -0.403 0.751) 1.649 24.206 ( 15.454 9.965 1.462) 18.446 26.887 ( -17.631 -8.675 -5.381) 20.373 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 10.029 7.403 15.435) 19.840 2.391 ( 1.643 3.014 3.917) 5.208 2.648 ( 4.247 -5.654 6.209) 9.411 2.911 ( 2.581 -1.732 3.107) 4.395 3.118 ( 0.650 2.127 7.199) 7.535 3.496 ( 0.414 3.456 1.573) 3.819 7.944 ( -1.460 -0.082 -1.759) 2.288 8.098 ( -0.692 1.157 -0.517) 1.444 8.855 ( -0.280 -0.306 2.965) 2.993 8.923 ( 0.619 -1.031 -0.105) 1.207 9.158 ( 0.777 0.418 0.904) 1.264 10.125 ( -14.200 -5.321 -14.868) 21.237 13.118 ( -2.467 -1.425 -0.919) 2.994 13.313 ( -0.934 -0.541 -1.875) 2.164 13.373 ( 0.242 1.748 -1.599) 2.381 15.718 ( 1.455 -2.057 0.242) 2.531 15.915 ( 0.258 -3.649 0.415) 3.682 16.142 ( 1.895 3.012 0.299) 3.571 16.724 ( 4.420 3.157 8.419) 10.019 16.801 ( 2.639 -0.404 -1.177) 2.917 21.645 ( -0.763 -0.286 -1.481) 1.690 23.554 ( 3.908 1.363 4.259) 5.939 24.533 ( 8.398 5.107 10.380) 14.295 26.457 ( -14.848 -6.333 -14.680) 21.819 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 1.849 3.982 5.356) 6.925 2.418 ( 4.939 5.882 4.859) 9.088 2.721 ( 3.580 -3.967 5.719) 7.827 2.939 ( 1.554 -3.415 2.959) 4.778 3.175 ( -1.756 0.154 8.401) 8.584 3.512 ( 0.423 1.083 -5.455) 5.577 7.910 ( -0.509 1.305 -4.330) 4.551 8.079 ( -1.875 2.080 -3.144) 4.210 8.852 ( -1.082 -3.693 2.272) 4.468 8.899 ( -0.849 -1.036 -2.200) 2.576 9.159 ( -0.811 -1.523 0.900) 1.946 9.806 ( -6.060 0.370 -20.333) 21.220 13.071 ( -1.177 -0.478 -1.013) 1.624 13.277 ( -0.827 -0.988 -1.943) 2.331 13.386 ( 0.722 1.316 -1.479) 2.108 15.742 ( 0.992 0.792 1.956) 2.331 15.887 ( 0.834 -5.013 1.867) 5.413 16.189 ( 0.813 0.921 1.533) 1.964 16.799 ( 0.957 -2.584 -3.898) 4.774 16.901 ( 3.588 5.162 11.000) 12.670 21.624 ( -0.262 0.001 -1.734) 1.753 23.693 ( 5.087 2.652 7.723) 9.620 24.685 ( -4.646 -3.314 20.594) 21.370 26.123 ( -3.425 0.391 -25.922) 26.150 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -4.885 1.724 -0.770) 5.237 2.617 ( 1.984 -4.678 6.182) 8.002 2.784 ( 1.472 7.344 3.098) 8.105 2.938 ( -0.037 -3.691 2.948) 4.724 3.151 ( -5.660 -3.951 7.561) 10.238 3.487 ( 3.049 -0.603 -8.281) 8.845 7.902 ( 1.000 2.768 -5.646) 6.367 8.041 ( -2.453 3.333 -4.827) 6.358 8.730 ( -3.056 -7.450 -8.009) 11.357 8.882 ( -1.098 0.066 1.805) 2.114 9.121 ( -0.790 -3.010 -0.584) 3.166 9.661 ( 1.042 4.723 -20.534) 21.096 13.054 ( 0.148 0.207 -1.334) 1.358 13.245 ( -0.322 -0.864 -1.743) 1.972 13.404 ( 0.962 1.127 -1.142) 1.871 15.773 ( -0.823 0.880 2.708) 2.965 15.886 ( 2.362 -3.621 3.768) 5.735 16.214 ( 0.621 -0.710 2.322) 2.506 16.734 ( -1.736 -2.378 -5.997) 6.681 17.079 ( 2.186 3.664 13.571) 14.226 21.616 ( 0.477 0.419 -1.768) 1.879 23.865 ( 4.633 2.845 9.998) 11.380 24.583 ( -14.606 -8.954 20.795) 26.944 26.028 ( 8.085 6.266 -27.456) 29.300 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -8.008 -0.391 0.079) 8.018 2.499 ( -7.716 -9.022 -0.568) 11.885 2.860 ( -5.891 0.962 2.636) 6.525 2.903 ( -1.329 -0.295 1.220) 1.829 3.046 ( -3.210 -4.511 4.984) 7.450 3.522 ( 4.895 0.170 -2.359) 5.436 7.906 ( -0.132 1.802 -5.118) 5.427 8.004 ( -1.980 4.136 -5.476) 7.142 8.575 ( 2.080 -3.394 -13.935) 14.493 8.874 ( -1.513 -0.041 2.242) 2.705 9.073 ( 0.193 -4.104 -1.438) 4.353 9.625 ( 3.225 5.669 -19.306) 20.378 13.059 ( 1.174 0.600 -2.060) 2.446 13.232 ( 0.568 0.015 -1.278) 1.399 13.424 ( 0.808 1.005 -0.863) 1.552 15.768 ( -1.260 -1.547 3.843) 4.330 15.937 ( 2.180 -0.471 4.245) 4.795 16.234 ( 1.196 -1.401 2.660) 3.235 16.622 ( -3.447 -2.228 -6.935) 8.058 17.210 ( -0.807 0.718 15.199) 15.237 21.625 ( 1.094 0.799 -1.692) 2.167 24.021 ( 2.965 1.211 10.383) 10.865 24.362 ( -13.582 -7.314 14.442) 21.131 26.106 ( 10.864 7.557 -21.971) 25.649 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.774 -4.369 19.573) 20.069 2.018 ( -1.417 10.394 18.565) 21.324 2.679 ( -1.912 -3.176 2.960) 4.744 2.780 ( 0.385 2.266 1.712) 2.866 2.949 ( 0.897 3.764 13.916) 14.444 3.406 ( 0.730 2.607 6.764) 7.286 8.018 ( -1.068 -0.836 3.048) 3.336 8.036 ( 1.163 -0.786 3.770) 4.023 8.849 ( 0.307 -1.260 1.258) 1.807 8.909 ( -0.418 1.621 1.418) 2.194 9.076 ( 0.184 1.894 1.459) 2.398 10.915 ( 0.472 -25.530 -5.180) 26.054 13.268 ( -1.265 -5.558 -0.022) 5.700 13.348 ( 1.564 0.263 -1.280) 2.038 13.352 ( 0.565 -0.149 -1.542) 1.649 15.816 ( -5.905 2.475 -2.281) 6.797 15.898 ( 4.533 3.347 -1.903) 5.947 15.968 ( -0.097 3.009 -2.061) 3.648 16.478 ( 0.125 -3.779 5.008) 6.275 16.707 ( -0.530 10.348 3.404) 10.906 21.686 ( 0.031 -0.839 -0.579) 1.019 23.620 ( -3.456 9.553 -1.753) 10.309 23.709 ( 3.499 8.616 -2.983) 9.766 27.236 ( 0.365 -15.675 -0.775) 15.698 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 4.149 0.372 17.321) 17.815 2.246 ( 2.665 7.393 17.301) 19.002 2.638 ( -1.894 -2.223 2.055) 3.571 2.822 ( 1.733 0.910 1.822) 2.674 3.066 ( 1.896 2.064 5.850) 6.487 3.505 ( 0.116 4.332 7.710) 8.845 7.992 ( -1.554 -2.204 1.619) 3.146 8.078 ( 1.655 -1.109 2.716) 3.368 8.851 ( 0.436 -0.962 0.903) 1.389 8.923 ( -0.623 1.199 1.316) 1.886 9.119 ( 1.156 2.204 0.795) 2.612 10.537 ( -7.032 -29.445 -4.870) 30.662 13.189 ( -1.528 -4.906 -0.465) 5.159 13.348 ( -0.528 0.786 -1.345) 1.645 13.354 ( 1.100 -0.960 -2.163) 2.609 15.741 ( -4.062 2.691 -0.602) 4.909 15.937 ( -0.729 -0.523 -0.208) 0.921 16.036 ( 3.902 5.985 -2.964) 7.735 16.516 ( 4.257 -3.602 5.302) 7.694 16.820 ( -1.242 11.293 2.445) 11.621 21.668 ( -0.397 -1.151 -0.864) 1.493 23.572 ( -5.952 8.895 0.113) 10.703 24.033 ( 16.581 12.961 -1.996) 21.140 26.965 ( -9.929 -19.233 -2.475) 21.786 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 9.007 4.327 14.082) 17.266 2.449 ( 1.414 6.408 10.137) 12.075 2.603 ( -0.621 -3.070 3.951) 5.042 2.872 ( 2.216 -1.364 2.635) 3.703 3.151 ( 2.378 1.851 3.970) 4.984 3.563 ( -2.037 2.909 2.628) 4.418 7.945 ( -1.396 -2.562 -0.742) 3.010 8.097 ( 0.709 -1.376 0.322) 1.581 8.854 ( 0.701 -2.185 0.848) 2.446 8.928 ( -0.923 1.026 0.754) 1.573 9.160 ( 0.758 1.698 0.504) 1.927 10.088 ( -8.029 -24.691 -8.344) 27.271 13.119 ( -1.275 -3.368 -0.855) 3.702 13.322 ( -1.444 0.019 -1.880) 2.371 13.354 ( 1.157 -0.527 -1.777) 2.185 15.726 ( -1.537 3.270 1.445) 3.891 15.904 ( -1.571 -1.245 -0.234) 2.018 16.131 ( 2.902 3.675 -1.058) 4.801 16.607 ( 6.470 -4.297 5.167) 9.329 16.919 ( -1.969 11.711 1.906) 12.027 21.641 ( -0.565 -1.131 -1.228) 1.762 23.617 ( -1.303 9.949 3.623) 10.668 24.433 ( 15.680 10.114 2.430) 18.817 26.522 ( -14.942 -18.637 -8.071) 25.214 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( 11.084 6.438 10.009) 16.263 2.496 ( -4.527 5.592 -1.755) 7.406 2.658 ( 3.726 -3.018 9.791) 10.903 2.901 ( 1.561 -2.894 3.228) 4.608 3.233 ( 1.450 0.768 5.966) 6.188 3.517 ( -4.054 -0.284 -4.734) 6.239 7.892 ( -0.556 -1.482 -3.294) 3.655 8.082 ( -0.085 -1.165 -2.475) 2.737 8.820 ( -0.948 -5.544 -1.297) 5.772 8.925 ( -1.300 1.279 1.215) 2.191 9.172 ( -1.138 -0.393 0.550) 1.324 9.711 ( -4.026 -13.861 -13.638) 19.858 13.070 ( -0.754 -1.821 -1.046) 2.232 13.281 ( -1.662 -0.248 -1.772) 2.443 13.360 ( 1.449 -0.437 -1.320) 2.008 15.768 ( 0.416 3.743 3.129) 4.896 15.861 ( -1.459 -2.310 0.590) 2.796 16.188 ( 1.284 1.062 0.541) 1.751 16.694 ( 4.745 -3.770 2.007) 6.384 17.023 ( -0.472 10.254 4.687) 11.284 21.615 ( -0.304 -0.748 -1.455) 1.664 23.760 ( 1.110 11.262 7.188) 13.407 24.761 ( 8.517 2.624 11.861) 14.836 26.033 ( -11.404 -13.517 -18.836) 25.837 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -4.928 4.591 -2.098) 7.054 2.615 ( 1.896 -0.600 8.929) 9.147 2.771 ( 7.193 3.279 2.080) 8.174 2.924 ( 1.557 -1.398 4.573) 5.029 3.257 ( -5.135 -4.170 7.087) 9.694 3.391 ( -0.575 -1.125 -9.807) 9.888 7.865 ( 1.206 0.826 -5.095) 5.301 8.042 ( -0.172 -1.419 -4.766) 4.976 8.678 ( -5.073 -6.416 -7.381) 11.017 8.925 ( -1.399 0.935 2.363) 2.901 9.114 ( -2.643 -2.954 -1.294) 4.170 9.531 ( 2.173 -2.024 -13.963) 14.275 13.043 ( -0.093 -0.624 -1.336) 1.477 13.243 ( -1.246 -0.033 -1.448) 1.911 13.377 ( 1.733 -0.327 -0.722) 1.906 15.819 ( -1.623 -2.146 2.128) 3.430 15.847 ( 2.071 2.649 3.707) 5.005 16.208 ( 0.468 -1.245 1.783) 2.224 16.704 ( -0.240 -1.304 -2.992) 3.273 17.167 ( 2.078 5.542 9.770) 11.423 21.600 ( 0.297 -0.118 -1.508) 1.541 23.946 ( 0.793 10.660 9.552) 14.335 24.856 ( -8.874 -7.897 20.636) 23.811 25.726 ( 6.211 -2.584 -28.879) 29.652 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -7.035 3.678 -1.032) 8.006 2.560 ( -6.702 -5.643 4.381) 9.795 2.884 ( 2.823 -2.372 1.446) 3.961 3.005 ( -6.845 3.215 0.321) 7.570 3.065 ( -1.659 -4.365 -0.758) 4.731 3.415 ( 5.670 -0.347 0.509) 5.703 7.876 ( 1.490 1.874 -5.146) 5.676 7.991 ( 1.115 -2.498 -5.988) 6.583 8.483 ( -4.491 2.284 -14.250) 15.115 8.924 ( -1.727 0.784 2.742) 3.334 9.035 ( -1.346 -3.552 -1.964) 4.276 9.506 ( 3.382 2.193 -12.067) 12.722 13.035 ( 0.574 0.250 -1.783) 1.890 13.224 ( -0.228 0.683 -1.229) 1.424 13.401 ( 1.680 -0.304 -0.312) 1.736 15.791 ( -0.814 -3.109 3.738) 4.929 15.932 ( 1.798 2.252 3.583) 4.598 16.211 ( 0.855 -2.705 2.459) 3.755 16.633 ( -3.644 0.180 -5.737) 6.799 17.305 ( 1.305 0.351 12.858) 12.929 21.603 ( 0.941 0.520 -1.494) 1.841 24.089 ( -1.440 4.550 10.355) 11.402 24.644 ( -15.250 -6.578 11.017) 19.930 25.785 ( 16.131 2.841 -20.235) 26.034 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -3.633 0.226 19.540) 19.876 2.275 ( -3.023 9.107 12.633) 15.864 2.689 ( -0.806 -0.900 1.423) 1.866 2.847 ( -2.586 3.601 2.723) 5.203 3.035 ( -1.006 0.390 6.237) 6.330 3.469 ( 1.330 2.425 9.004) 9.419 8.004 ( 2.308 -1.909 2.306) 3.780 8.058 ( -1.888 -2.089 2.012) 3.460 8.845 ( -0.287 -0.851 1.416) 1.676 8.937 ( 0.138 1.642 1.219) 2.050 9.111 ( -1.033 1.792 0.858) 2.239 10.509 ( 8.067 -31.121 -4.995) 32.536 13.207 ( 1.613 -5.633 -0.162) 5.862 13.315 ( -0.525 -1.245 -1.083) 1.732 13.342 ( 0.670 0.761 -1.426) 1.750 15.835 ( 4.980 4.071 -1.856) 6.695 15.949 ( -6.192 3.215 -1.688) 7.178 15.986 ( 0.218 3.348 -1.593) 3.714 16.516 ( -4.223 -3.120 5.556) 7.644 16.839 ( 0.518 12.315 1.340) 12.399 21.667 ( 0.454 -1.247 -0.810) 1.555 23.610 ( 6.916 11.041 0.091) 13.028 23.995 ( -17.636 10.976 -2.263) 20.895 26.947 ( 10.658 -20.490 -1.688) 23.158 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -0.423 1.291 16.301) 16.357 2.440 ( -0.429 9.278 15.468) 18.042 2.662 ( -1.457 -1.226 1.450) 2.394 2.845 ( -1.997 2.214 0.949) 3.129 3.070 ( 1.647 0.130 2.166) 2.724 3.583 ( 1.170 3.046 7.077) 7.793 8.007 ( -2.039 -3.784 1.631) 4.598 8.038 ( 2.444 -2.826 2.173) 4.322 8.835 ( -0.021 -1.868 0.363) 1.903 8.957 ( -0.549 1.713 0.765) 1.955 9.133 ( 0.432 2.217 0.780) 2.389 10.213 ( 1.440 -38.572 -0.819) 38.608 13.153 ( -0.542 -5.617 0.045) 5.643 13.300 ( 1.189 -1.946 -1.621) 2.798 13.353 ( 0.182 1.165 -1.199) 1.682 15.862 ( -5.292 3.815 -1.851) 6.781 15.926 ( 2.424 0.744 -0.103) 2.538 16.035 ( 0.793 7.229 -2.966) 7.854 16.487 ( -0.270 -2.620 5.819) 6.387 16.972 ( -0.720 13.567 0.121) 13.586 21.651 ( 0.061 -1.691 -0.801) 1.872 23.824 ( -8.585 10.148 -3.502) 13.746 23.923 ( 8.662 17.733 1.301) 19.778 26.807 ( 0.727 -25.527 -1.500) 25.581 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 5.262 3.189 12.589) 14.012 2.606 ( -1.579 5.672 16.237) 17.272 2.637 ( -2.076 1.758 -1.245) 2.992 2.852 ( 0.692 -0.258 1.926) 2.063 3.129 ( 3.529 0.880 1.381) 3.890 3.629 ( -1.603 0.668 1.274) 2.154 7.938 ( -1.970 -4.557 0.440) 4.984 8.052 ( 1.740 -3.631 0.408) 4.047 8.812 ( 0.645 -4.457 0.207) 4.508 8.965 ( -0.957 1.751 0.492) 2.055 9.170 ( 0.763 2.246 0.267) 2.387 9.839 ( -1.722 -34.376 -0.110) 34.420 13.094 ( -0.643 -4.020 -0.185) 4.076 13.291 ( 1.427 -2.364 -1.456) 3.122 13.350 ( -0.842 1.132 -1.236) 1.876 15.818 ( -3.183 4.131 -1.210) 5.353 15.939 ( -1.791 1.109 1.005) 2.334 16.111 ( 2.465 5.253 -2.235) 6.218 16.525 ( 3.134 -2.867 5.974) 7.330 17.079 ( -1.847 13.216 -1.098) 13.389 21.627 ( -0.245 -1.706 -0.894) 1.942 23.807 ( -4.265 12.898 0.791) 13.607 24.298 ( 13.316 14.907 1.183) 20.024 26.462 ( -8.330 -26.398 -4.461) 28.038 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 10.098 4.279 7.721) 13.413 2.601 ( -3.465 2.926 -2.156) 5.022 2.715 ( -1.346 3.146 11.962) 12.442 2.878 ( 0.910 -1.656 3.769) 4.216 3.222 ( 4.051 0.909 3.044) 5.148 3.555 ( -4.748 -2.433 -4.468) 6.959 7.863 ( -1.166 -3.887 -1.419) 4.299 8.030 ( 0.902 -4.294 -2.280) 4.945 8.763 ( 0.013 -7.689 0.708) 7.722 8.967 ( -1.083 1.835 0.449) 2.178 9.195 ( -0.685 1.327 0.078) 1.495 9.514 ( -1.233 -21.742 -3.638) 22.079 13.051 ( -0.333 -2.447 -0.464) 2.513 13.282 ( 0.556 -1.726 -0.662) 1.931 13.336 ( -0.555 0.713 -1.313) 1.594 15.811 ( -0.764 1.718 -0.644) 1.987 15.922 ( -3.484 3.211 2.491) 5.353 16.176 ( 1.676 2.248 -0.862) 2.933 16.605 ( 4.607 -2.600 5.036) 7.303 17.160 ( -1.625 11.113 -0.878) 11.266 21.601 ( -0.231 -1.265 -0.937) 1.591 23.939 ( 0.228 15.734 5.332) 16.615 24.655 ( 12.772 8.026 4.103) 15.633 25.975 ( -13.137 -23.617 -10.428) 28.967 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 3.396 3.100 -0.691) 4.650 2.571 ( 3.888 3.170 1.057) 5.126 2.782 ( -2.158 2.651 7.766) 8.485 2.904 ( 2.028 -1.872 4.442) 5.230 3.303 ( 1.724 -2.014 6.192) 6.736 3.374 ( -6.997 -2.863 -9.414) 12.073 7.815 ( 0.801 -1.491 -3.385) 3.785 7.968 ( 0.358 -5.545 -4.744) 7.306 8.667 ( -3.138 -6.054 -0.372) 6.829 8.971 ( -1.057 1.642 0.940) 2.167 9.137 ( -4.464 -2.809 -1.725) 5.549 9.373 ( 3.925 -5.507 -5.908) 8.980 13.027 ( 0.028 -1.087 -0.790) 1.344 13.262 ( -1.325 -0.036 -0.499) 1.416 13.338 ( 1.411 -0.461 -0.621) 1.609 15.803 ( -0.084 -1.829 0.366) 1.867 15.932 ( -2.250 5.058 3.304) 6.446 16.199 ( 0.297 -0.654 0.620) 0.949 16.673 ( 2.085 -0.819 1.313) 2.596 17.242 ( 0.733 6.397 2.655) 6.964 21.585 ( 0.138 -0.505 -0.915) 1.054 24.158 ( -0.743 17.014 9.733) 19.616 24.927 ( 8.015 -2.185 12.005) 14.599 25.469 ( -8.120 -15.274 -21.875) 27.889 ======================= Grid point 510 (253/294) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -3.560 4.139 -2.417) 5.970 2.668 ( -3.904 -3.386 5.514) 7.557 2.801 ( 2.645 -0.783 0.932) 2.912 2.998 ( 4.160 -0.707 -1.832) 4.600 3.149 ( -7.696 1.059 -2.251) 8.088 3.353 ( 2.035 -2.149 3.424) 4.526 7.825 ( 3.219 1.716 -4.444) 5.749 7.877 ( 0.350 -6.281 -5.974) 8.675 8.559 ( -5.830 4.379 -4.474) 8.555 8.975 ( -1.161 1.406 1.508) 2.366 9.023 ( -2.979 -2.861 -2.958) 5.080 9.391 ( 4.416 -0.035 -5.755) 7.254 13.020 ( 0.362 0.117 -1.086) 1.151 13.237 ( -1.274 0.882 -0.928) 1.806 13.361 ( 2.061 -0.885 0.142) 2.247 15.784 ( -0.068 -3.132 2.275) 3.872 15.977 ( -0.553 4.209 2.687) 5.024 16.189 ( -0.024 -3.023 1.787) 3.512 16.664 ( -2.433 1.176 -3.184) 4.176 17.341 ( 2.569 0.159 7.510) 7.939 21.585 ( 0.667 0.302 -0.937) 1.189 24.306 ( -7.182 7.600 13.044) 16.718 24.859 ( -12.797 -7.978 2.415) 15.273 25.370 ( 19.331 0.077 -15.632) 24.860 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -7.759 3.640 16.915) 18.962 2.409 ( 1.091 3.853 3.086) 5.055 2.745 ( -1.785 3.150 4.980) 6.157 2.942 ( -1.984 3.134 2.329) 4.380 3.096 ( -3.506 -0.869 3.219) 4.838 3.510 ( 1.955 1.243 5.605) 6.065 7.946 ( 2.417 -3.129 0.217) 3.960 8.060 ( -0.663 -3.406 -0.380) 3.491 8.864 ( -1.165 -0.294 2.108) 2.426 8.950 ( 0.821 1.572 0.174) 1.782 9.153 ( -1.372 1.491 0.559) 2.102 10.026 ( 8.104 -28.073 -8.124) 30.327 13.125 ( 1.840 -3.746 -0.621) 4.219 13.317 ( -0.974 -0.898 -1.232) 1.809 13.325 ( 0.253 0.019 -0.962) 0.995 15.786 ( 3.535 2.815 -0.982) 4.624 15.997 ( 2.153 4.730 -0.432) 5.215 16.066 ( -5.456 1.329 -0.549) 5.643 16.616 ( -6.381 -3.320 5.477) 9.041 16.939 ( 2.666 12.575 -0.107) 12.855 21.638 ( 0.568 -1.282 -1.121) 1.795 23.652 ( 2.743 11.686 3.614) 12.536 24.403 ( -17.574 9.179 1.757) 19.904 26.486 ( 15.223 -20.953 -6.429) 26.685 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -5.639 3.440 14.594) 16.019 2.539 ( 5.218 6.207 2.232) 8.411 2.744 ( -4.535 1.033 8.850) 9.998 2.931 ( -3.980 2.520 0.293) 4.720 3.060 ( -0.367 -1.081 1.325) 1.749 3.606 ( 2.772 1.195 3.247) 4.434 7.955 ( 2.471 -5.344 0.560) 5.914 8.013 ( -0.475 -3.677 0.958) 3.829 8.831 ( -2.098 -2.771 0.422) 3.501 8.978 ( 0.388 1.598 0.052) 1.646 9.155 ( -0.384 1.348 0.702) 1.568 9.785 ( 4.523 -35.373 0.649) 35.667 13.101 ( 0.546 -4.537 -0.015) 4.570 13.271 ( -0.897 -1.905 -0.556) 2.178 13.347 ( 1.061 1.331 -1.212) 2.090 15.867 ( 4.076 1.868 -1.224) 4.648 15.961 ( -4.816 0.909 -2.615) 5.555 16.092 ( 0.454 7.248 -0.618) 7.289 16.540 ( -3.735 -2.170 5.894) 7.307 17.098 ( 1.284 13.944 -2.412) 14.209 21.625 ( 0.343 -1.756 -0.793) 1.957 23.876 ( 4.255 14.204 -0.766) 14.847 24.230 ( -13.542 14.116 2.272) 19.693 26.437 ( 9.681 -27.352 -3.046) 29.175 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -1.466 3.801 11.126) 11.848 2.659 ( 1.349 3.774 -2.918) 4.958 2.793 ( -1.171 3.849 15.536) 16.048 2.876 ( -3.148 0.020 -0.092) 3.150 3.082 ( 2.702 0.028 0.769) 2.809 3.638 ( 0.096 -1.401 -1.838) 2.313 7.912 ( -0.297 -6.435 -0.019) 6.442 7.993 ( 0.666 -3.751 1.380) 4.052 8.751 ( -0.762 -8.860 1.453) 9.010 8.994 ( -0.279 1.627 -0.329) 1.684 9.175 ( 0.963 0.531 0.694) 1.300 9.530 ( 1.370 -29.405 5.315) 29.913 13.063 ( -0.183 -3.668 0.476) 3.703 13.244 ( 0.419 -2.099 -0.436) 2.185 13.363 ( 0.028 1.316 -1.041) 1.678 15.882 ( -3.343 1.787 -3.535) 5.183 15.945 ( 3.369 1.725 -0.332) 3.800 16.151 ( -0.769 6.365 -0.961) 6.483 16.522 ( -0.696 -2.214 6.515) 6.916 17.216 ( -0.686 13.673 -4.834) 14.518 21.606 ( 0.045 -1.776 -0.526) 1.853 23.954 ( -2.213 9.737 -6.155) 11.730 24.374 ( 2.176 20.114 9.120) 22.192 26.222 ( 0.689 -29.371 -4.254) 29.685 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 4.110 3.359 6.644) 8.504 2.663 ( -2.235 2.927 -1.601) 4.016 2.829 ( -1.874 -0.464 2.986) 3.556 2.914 ( -0.583 2.943 9.147) 9.627 3.165 ( 5.132 0.349 2.762) 5.839 3.558 ( -3.111 -3.757 -5.881) 7.640 7.837 ( -1.299 -5.544 0.005) 5.694 7.959 ( -0.098 -4.961 -0.659) 5.006 8.671 ( 1.572 -12.662 5.577) 13.925 8.999 ( -0.520 1.625 -0.775) 1.874 9.204 ( 1.868 -0.319 0.195) 1.905 9.330 ( -1.764 -16.884 3.724) 17.379 13.032 ( -0.294 -2.360 0.505) 2.431 13.239 ( 1.388 -1.947 0.309) 2.411 13.359 ( -1.149 1.271 -1.081) 2.026 15.833 ( -1.808 1.119 -2.878) 3.578 16.003 ( 0.520 2.531 0.839) 2.717 16.186 ( -0.438 4.443 -1.117) 4.602 16.558 ( 2.398 -2.357 6.665) 7.466 17.280 ( -1.930 11.575 -6.327) 13.332 21.587 ( -0.114 -1.323 -0.282) 1.358 24.043 ( 5.000 11.666 -3.281) 13.109 24.671 ( 2.780 15.405 10.543) 18.873 25.840 ( -7.186 -27.647 -8.014) 29.669 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 8.131 1.236 1.521) 8.364 2.629 ( -3.265 3.280 -2.749) 5.383 2.845 ( 2.185 -0.731 3.440) 4.140 2.951 ( -3.789 1.582 6.582) 7.758 3.270 ( 3.875 -2.179 5.615) 7.162 3.402 ( -5.378 -2.222 -7.790) 9.724 7.771 ( -0.414 -3.560 -0.882) 3.691 7.888 ( -0.763 -5.514 -2.025) 5.923 8.638 ( 1.535 -8.421 7.873) 11.630 9.000 ( -0.292 1.351 -0.913) 1.657 9.178 ( -4.548 -5.747 -0.300) 7.335 9.238 ( 3.359 -1.574 -0.339) 3.725 13.015 ( -0.091 -1.069 0.238) 1.099 13.255 ( 1.551 -1.371 1.206) 2.395 13.337 ( -1.580 1.074 -1.280) 2.300 15.800 ( -1.038 -0.165 -1.450) 1.791 16.027 ( -1.318 2.610 1.646) 3.355 16.203 ( -0.657 1.769 -0.683) 2.007 16.635 ( 3.465 -1.334 5.064) 6.279 17.305 ( -1.161 7.294 -5.266) 9.071 21.575 ( -0.004 -0.540 -0.098) 0.549 24.305 ( 10.693 14.864 -0.084) 18.311 24.879 ( 0.450 4.727 12.836) 13.686 25.364 ( -10.970 -20.814 -13.275) 27.014 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 4.918 -1.817 -1.075) 5.352 2.604 ( 0.732 2.519 -3.550) 4.415 2.878 ( -3.270 -4.582 2.009) 5.977 2.942 ( 0.447 4.088 2.735) 4.939 3.241 ( -3.421 -2.887 0.885) 4.563 3.338 ( -0.414 0.780 0.807) 1.197 7.749 ( 1.748 -1.360 -2.370) 3.244 7.815 ( -0.686 -2.706 -1.837) 3.342 8.657 ( -0.716 0.973 6.483) 6.594 9.002 ( 0.029 0.222 -0.927) 0.954 9.053 ( -5.384 0.050 -2.811) 6.074 9.286 ( 4.313 -0.762 -1.213) 4.545 13.012 ( 0.227 0.157 -0.017) 0.276 13.265 ( -0.870 0.259 0.453) 1.014 13.325 ( 0.829 -0.234 -0.414) 0.956 15.773 ( -0.600 -1.547 0.215) 1.673 16.041 ( -0.739 2.069 1.437) 2.625 16.186 ( -1.592 -0.951 0.425) 1.902 16.687 ( 0.150 0.696 0.744) 1.030 17.329 ( 1.751 0.916 -0.569) 2.057 21.576 ( 0.303 0.316 -0.087) 0.446 24.558 ( -2.880 0.825 4.410) 5.331 24.962 ( 0.635 -1.537 1.725) 2.396 25.011 ( 2.079 -0.559 -6.853) 7.183 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -9.065 3.723 11.428) 15.055 2.399 ( 2.185 1.002 0.086) 2.406 2.823 ( 0.941 3.074 3.699) 4.901 3.002 ( -0.337 2.370 2.177) 3.236 3.182 ( -3.988 -1.134 5.104) 6.576 3.492 ( 2.531 0.221 -1.813) 3.121 7.872 ( 1.437 -3.244 -2.088) 4.117 8.012 ( 0.026 -4.896 -2.623) 5.555 8.893 ( -0.402 -0.219 1.368) 1.442 8.936 ( 2.587 1.686 -1.387) 3.385 9.187 ( -0.128 1.189 0.850) 1.467 9.614 ( 3.192 -19.696 -12.887) 23.752 13.068 ( 0.964 -2.060 -0.911) 2.450 13.292 ( 1.629 0.760 -1.849) 2.579 13.339 ( -2.223 -1.398 -0.296) 2.643 15.762 ( 1.340 1.275 0.474) 1.910 15.998 ( 3.043 4.323 0.786) 5.345 16.155 ( -3.806 0.516 0.776) 3.919 16.716 ( -5.166 -3.051 1.867) 6.283 17.009 ( 2.389 10.077 3.081) 10.805 21.611 ( 0.268 -0.906 -1.347) 1.646 23.784 ( 0.302 12.269 7.510) 14.388 24.756 ( -10.261 3.356 10.685) 15.189 25.982 ( 11.145 -16.611 -16.851) 26.155 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -7.059 3.454 10.710) 13.284 2.494 ( 5.470 4.391 -0.628) 7.043 2.863 ( -1.450 1.521 4.607) 5.064 3.002 ( -2.217 0.889 -0.372) 2.417 3.111 ( -4.995 -1.330 4.220) 6.673 3.553 ( 4.467 -0.429 -1.888) 4.869 7.859 ( 2.353 -5.208 -0.567) 5.743 7.963 ( 1.476 -4.927 -0.294) 5.152 8.853 ( -3.461 -3.088 -1.264) 4.808 8.976 ( 1.216 1.466 -0.738) 2.042 9.178 ( -1.597 -1.226 0.650) 2.116 9.414 ( 4.677 -22.628 -0.062) 23.106 13.053 ( 0.626 -2.671 -0.340) 2.765 13.278 ( -2.025 -1.838 0.029) 2.735 13.328 ( 1.657 1.242 -1.145) 2.367 15.813 ( 3.121 1.291 -0.697) 3.449 16.023 ( -3.448 0.330 -2.179) 4.092 16.143 ( 0.342 4.707 0.664) 4.766 16.629 ( -4.532 -1.911 4.322) 6.547 17.170 ( 3.021 11.841 -2.365) 12.447 21.598 ( 0.297 -1.310 -0.771) 1.549 24.000 ( 0.963 17.091 3.956) 17.569 24.608 ( -14.902 8.036 4.146) 17.431 25.930 ( 14.396 -25.314 -7.476) 30.065 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -5.499 3.120 8.243) 10.388 2.634 ( 4.871 6.405 -2.699) 8.488 2.880 ( -1.076 -0.031 2.047) 2.313 2.958 ( -2.310 -0.303 4.315) 4.904 3.074 ( -1.397 -1.026 4.706) 5.015 3.575 ( 2.170 -2.517 -5.155) 6.134 7.832 ( 1.385 -5.912 -0.190) 6.075 7.960 ( 1.564 -3.672 2.433) 4.675 8.696 ( -4.408 -13.321 2.692) 14.287 8.998 ( 0.667 1.105 -1.303) 1.834 9.141 ( 1.122 -6.865 3.128) 7.627 9.336 ( 1.903 -9.787 4.396) 10.896 13.035 ( 0.256 -2.478 0.572) 2.556 13.233 ( -1.216 -1.844 0.489) 2.263 13.359 ( 1.143 1.397 -0.969) 2.048 15.883 ( 4.262 1.106 -1.184) 4.559 15.935 ( -4.067 1.167 -3.811) 5.694 16.204 ( 0.634 4.279 -0.399) 4.344 16.579 ( -3.093 -2.001 5.888) 6.945 17.298 ( 1.471 12.082 -6.854) 13.968 21.586 ( 0.165 -1.296 -0.165) 1.317 24.077 ( -6.887 10.979 -6.729) 14.603 24.643 ( -1.350 16.727 13.368) 21.455 25.822 ( 8.285 -28.126 -6.283) 29.987 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -1.987 1.929 4.659) 5.420 2.719 ( -0.592 6.336 -2.552) 6.856 2.831 ( -0.874 -3.486 -1.258) 3.808 3.008 ( 0.309 2.122 5.371) 5.783 3.112 ( 3.254 -2.008 7.846) 8.728 3.512 ( -0.872 -3.298 -7.489) 8.230 7.794 ( 0.053 -4.715 0.933) 4.807 7.947 ( -1.722 -3.062 2.474) 4.296 8.548 ( 1.014 -17.252 11.118) 20.549 9.001 ( 0.212 0.281 -2.304) 2.331 9.126 ( 2.217 -6.605 3.639) 7.861 9.311 ( -1.565 -2.101 3.534) 4.399 13.021 ( -0.102 -1.778 1.183) 2.138 13.212 ( 0.210 -1.469 0.954) 1.764 13.377 ( -0.087 1.328 -0.762) 1.533 15.860 ( -2.569 0.856 -3.384) 4.334 15.969 ( 4.330 1.971 -2.108) 5.203 16.237 ( -0.546 3.351 -0.886) 3.509 16.565 ( -0.650 -2.556 6.978) 7.460 17.360 ( -0.768 10.627 -10.182) 14.738 21.577 ( -0.022 -0.867 0.368) 0.942 24.039 ( -0.126 8.405 -8.207) 11.748 24.929 ( -0.068 17.243 18.226) 25.090 25.569 ( 0.281 -26.753 -9.863) 28.515 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 2.530 -0.214 0.804) 2.664 2.709 ( -4.096 3.832 -1.817) 5.896 2.801 ( 1.979 -3.268 0.054) 3.821 3.038 ( -0.772 0.543 1.147) 1.485 3.215 ( 3.790 -5.219 9.770) 11.707 3.413 ( -2.362 1.606 -7.421) 7.951 7.756 ( -1.258 -2.519 2.048) 3.482 7.879 ( -3.425 -3.534 2.075) 5.341 8.552 ( 5.409 -11.325 14.699) 19.328 8.984 ( 0.569 -1.082 -2.973) 3.214 9.132 ( 1.882 -4.099 3.574) 5.755 9.280 ( -3.835 1.442 1.852) 4.496 13.014 ( -0.236 -0.743 1.232) 1.458 13.223 ( 1.459 -1.104 1.610) 2.437 13.371 ( -1.454 1.267 -0.780) 2.080 15.813 ( -1.638 0.694 -2.624) 3.170 16.030 ( 2.403 0.684 -1.593) 2.963 16.244 ( -1.298 2.592 -1.108) 3.103 16.603 ( 2.459 -2.466 7.080) 7.891 17.352 ( -2.021 7.409 -11.432) 13.772 21.574 ( -0.106 -0.163 0.736) 0.761 24.160 ( 10.885 7.994 -8.588) 16.004 25.122 ( -6.409 -13.931 21.772) 26.631 25.244 ( -4.248 4.423 -13.540) 14.864 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 5.755 -3.296 -1.552) 6.811 2.653 ( -3.899 2.933 -3.641) 6.088 2.824 ( 3.075 -3.531 0.756) 4.743 3.011 ( -1.438 -1.703 0.731) 2.346 3.219 ( 0.281 -7.156 4.046) 8.226 3.404 ( -1.829 6.303 -0.874) 6.621 7.737 ( -1.192 0.324 2.494) 2.784 7.814 ( -1.982 -1.814 1.386) 3.023 8.672 ( 5.161 -2.920 13.103) 14.382 8.965 ( 1.234 -1.975 -2.963) 3.769 9.154 ( -1.445 1.604 4.353) 4.859 9.239 ( -2.018 1.150 -0.526) 2.381 13.017 ( -0.062 0.391 1.087) 1.157 13.256 ( 1.893 -0.746 1.950) 2.819 13.344 ( -2.318 1.118 -1.026) 2.770 15.778 ( -1.310 -0.226 -1.500) 2.004 16.045 ( 0.851 -0.906 -0.844) 1.503 16.227 ( -2.276 1.417 -0.911) 2.831 16.677 ( 2.877 -1.249 4.959) 5.868 17.303 ( -0.728 2.307 -9.227) 9.539 21.580 ( -0.037 0.600 0.828) 1.024 24.371 ( 11.514 -0.909 -14.283) 18.369 24.832 ( -0.104 -16.524 0.359) 16.528 25.307 ( -11.229 15.973 12.929) 23.418 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 3.077 -0.234 -0.489) 3.124 2.598 ( -9.528 1.235 7.706) 12.316 2.808 ( 4.930 0.895 0.657) 5.053 3.020 ( 2.169 1.044 1.965) 3.107 3.246 ( 1.504 -2.482 7.926) 8.441 3.429 ( -0.630 1.549 -8.894) 9.050 7.819 ( -1.063 -2.133 -4.116) 4.756 7.940 ( -0.530 -5.596 -3.912) 6.849 8.813 ( 6.758 0.377 -10.069) 12.133 8.916 ( 1.769 0.203 3.805) 4.201 9.175 ( 2.752 0.949 -0.399) 2.938 9.411 ( -5.527 -8.248 -12.953) 16.320 13.039 ( -0.019 -0.719 -1.250) 1.442 13.259 ( 1.622 0.870 -1.934) 2.670 13.363 ( -2.197 -1.089 -0.096) 2.454 15.769 ( -0.463 -0.245 1.815) 1.889 15.992 ( 2.982 3.302 2.161) 4.946 16.216 ( -2.111 0.154 1.663) 2.692 16.727 ( 0.760 -0.368 -4.817) 4.890 17.123 ( -2.128 3.963 10.668) 11.578 21.597 ( -0.341 -0.278 -1.450) 1.515 23.963 ( 0.089 11.384 10.741) 15.652 24.865 ( 9.550 -7.460 19.489) 22.950 25.674 ( -8.239 -4.896 -27.970) 29.566 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 4.402 4.431 -0.468) 6.263 2.522 ( -5.893 0.767 7.409) 9.498 2.883 ( 2.319 1.390 0.147) 2.708 3.028 ( -1.741 -1.630 -1.284) 2.709 3.231 ( -5.595 -1.258 6.663) 8.791 3.426 ( 5.500 -1.046 -6.917) 8.899 7.776 ( 1.283 -3.469 -1.378) 3.947 7.879 ( 1.601 -4.927 -1.027) 5.282 8.817 ( 1.565 -2.570 -9.049) 9.536 8.971 ( 0.995 1.038 1.621) 2.167 9.174 ( -4.126 -11.245 -0.659) 11.996 9.231 ( 2.859 0.889 0.326) 3.012 13.025 ( 0.146 -1.058 -0.694) 1.274 13.284 ( 0.790 0.311 -1.516) 1.737 13.317 ( -1.184 -0.747 0.604) 1.525 15.782 ( 1.196 0.108 0.454) 1.284 16.051 ( -0.213 0.824 -0.715) 1.111 16.187 ( -1.617 1.055 0.937) 2.146 16.693 ( -2.091 -0.505 -0.189) 2.159 17.218 ( 1.451 6.868 2.557) 7.471 21.582 ( -0.058 -0.528 -0.754) 0.922 24.205 ( 1.516 18.240 9.115) 20.447 24.925 ( -10.706 -0.561 10.129) 14.748 25.399 ( 10.232 -18.269 -17.712) 27.426 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( -5.325 1.184 5.398) 7.674 2.599 ( 5.826 7.632 -0.679) 9.625 2.900 ( -3.148 -1.134 -3.086) 4.551 2.959 ( 1.712 -1.671 -0.352) 2.418 3.168 ( -5.107 -2.787 8.389) 10.209 3.453 ( 4.291 -2.287 -7.204) 8.692 7.769 ( 1.256 -2.602 1.198) 3.128 7.888 ( 3.853 -4.175 2.911) 6.383 8.676 ( -5.585 -10.074 -1.109) 11.572 8.987 ( 0.098 0.645 -0.843) 1.066 9.075 ( 0.504 -7.142 4.391) 8.399 9.293 ( 2.166 0.978 2.359) 3.349 13.016 ( 0.242 -1.020 0.319) 1.096 13.249 ( -1.965 -1.631 0.792) 2.674 13.341 ( 1.819 1.377 -0.791) 2.415 15.818 ( 3.052 0.196 -1.001) 3.218 15.994 ( -4.231 0.460 -2.861) 5.128 16.209 ( 1.517 1.373 -0.366) 2.079 16.649 ( -3.068 -1.358 3.428) 4.797 17.321 ( 2.418 8.038 -5.071) 9.807 21.575 ( 0.081 -0.455 0.086) 0.470 24.324 ( -12.061 13.280 -5.462) 18.753 24.879 ( -0.012 7.841 16.080) 17.890 25.338 ( 12.199 -21.883 -9.485) 26.788 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -5.423 -0.062 2.979) 6.188 2.753 ( 2.753 4.482 -4.399) 6.857 2.795 ( -0.874 -1.086 -1.204) 1.842 3.007 ( 1.726 2.332 -2.246) 3.669 3.125 ( -0.918 -7.391 12.585) 14.624 3.432 ( 1.515 -1.082 -7.590) 7.815 7.780 ( -0.054 -0.459 3.322) 3.354 7.945 ( 2.580 -2.409 4.726) 5.899 8.487 ( -4.403 -14.014 10.845) 18.259 8.978 ( -0.133 -0.478 -2.611) 2.658 9.066 ( 1.676 -4.226 3.391) 5.672 9.349 ( 0.136 1.365 4.872) 5.061 13.016 ( 0.140 -0.787 1.283) 1.511 13.215 ( -1.076 -1.063 1.297) 1.992 13.377 ( 1.142 1.364 -0.521) 1.854 15.862 ( 2.149 -1.052 -2.147) 3.215 15.925 ( -1.234 2.896 -3.966) 5.063 16.241 ( 1.552 0.863 -1.522) 2.339 16.612 ( -2.450 -2.485 5.767) 6.741 17.377 ( 1.068 7.415 -10.741) 13.095 21.576 ( 0.030 -0.080 0.832) 0.837 24.142 ( -9.799 6.892 -9.778) 15.464 25.149 ( 4.952 -16.903 20.710) 27.187 25.242 ( 4.298 8.966 -10.338) 14.343 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -2.802 -2.010 0.410) 3.473 2.700 ( 2.232 -7.829 -1.605) 8.298 2.828 ( -4.310 6.532 -1.658) 8.000 3.006 ( 1.310 -1.580 -4.019) 4.513 3.162 ( 3.075 -7.907 9.069) 12.418 3.419 ( 0.776 4.355 -4.091) 6.025 7.798 ( -1.493 1.407 4.623) 5.057 7.948 ( -4.007 -1.346 4.289) 6.022 8.454 ( 4.424 -11.164 18.144) 21.758 8.943 ( -0.189 -1.555 -3.306) 3.658 9.088 ( 2.344 -2.442 2.614) 4.276 9.385 ( -2.724 2.164 7.304) 8.090 13.022 ( -0.067 -0.183 1.752) 1.763 13.211 ( 0.254 -0.482 1.659) 1.746 13.396 ( -0.234 1.269 -0.205) 1.306 15.829 ( -1.489 0.023 -2.944) 3.299 15.963 ( 3.688 1.541 -3.881) 5.571 16.257 ( 0.736 0.837 -1.993) 2.284 16.602 ( -0.147 -3.274 7.123) 7.841 17.358 ( -0.979 5.380 -14.075) 15.100 21.585 ( -0.111 0.464 1.330) 1.413 24.064 ( 0.869 6.012 -9.682) 11.429 24.918 ( -0.509 -24.500 -9.335) 26.223 25.532 ( -0.963 17.493 18.560) 25.523 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 0.966 -4.536 -1.369) 4.836 2.667 ( 2.604 -9.560 2.533) 10.227 2.782 ( -3.148 4.916 -4.736) 7.517 2.968 ( 0.495 -5.476 -1.962) 5.838 3.158 ( 1.623 -6.068 0.388) 6.293 3.483 ( 0.266 5.801 1.413) 5.977 7.819 ( -2.286 3.092 5.073) 6.365 7.873 ( -5.228 -1.598 4.585) 7.135 8.614 ( 8.002 -3.947 15.645) 18.011 8.906 ( 0.523 -1.905 -3.146) 3.715 9.137 ( 3.546 -0.829 2.390) 4.355 9.397 ( -6.048 4.090 10.284) 12.612 13.035 ( -0.150 0.789 1.819) 1.988 13.234 ( 1.382 -0.210 1.863) 2.329 13.389 ( -1.847 1.164 -0.099) 2.186 15.788 ( -1.303 -0.046 -2.567) 2.879 15.996 ( 2.182 -0.407 -3.451) 4.103 16.256 ( -0.498 0.928 -2.043) 2.299 16.641 ( 2.897 -3.337 7.111) 8.372 17.273 ( -1.941 2.241 -14.556) 14.855 21.599 ( -0.213 1.012 1.496) 1.819 24.121 ( 6.529 1.893 -12.876) 14.561 24.623 ( 1.091 -17.559 -9.133) 19.822 25.746 ( -7.892 15.087 20.356) 26.538 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -0.000 0.000 16.704) 16.704 1.933 ( -0.000 0.000 16.704) 16.704 2.741 ( 0.000 0.000 0.179) 0.179 2.741 ( 0.000 -0.000 0.179) 0.179 3.009 ( -0.000 0.000 12.088) 12.088 3.445 ( -0.000 0.000 11.786) 11.786 8.058 ( -0.000 0.000 3.765) 3.765 8.058 ( -0.000 0.000 3.765) 3.765 8.885 ( -0.000 0.000 0.945) 0.945 8.885 ( -0.000 0.000 0.945) 0.945 9.071 ( -0.000 0.000 2.085) 2.085 11.126 ( 0.000 -0.000 -6.387) 6.387 13.332 ( 0.000 -0.000 -1.158) 1.158 13.332 ( 0.000 -0.000 -1.158) 1.158 13.350 ( -0.000 0.000 0.176) 0.176 15.801 ( 0.000 -0.000 -2.761) 2.761 15.801 ( 0.000 -0.000 -2.761) 2.761 15.947 ( 0.000 -0.000 -0.495) 0.495 16.588 ( -0.000 0.000 4.045) 4.045 16.588 ( -0.000 0.000 4.045) 4.045 21.692 ( 0.000 -0.000 -0.372) 0.372 23.555 ( 0.000 -0.000 -2.220) 2.220 23.555 ( 0.000 -0.000 -2.220) 2.220 27.391 ( 0.000 -0.000 -0.862) 0.862 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -0.825 -0.617 17.252) 17.282 2.198 ( 7.163 4.104 11.573) 14.216 2.699 ( -1.011 -1.725 0.392) 2.038 2.800 ( 3.387 1.605 0.653) 3.805 3.073 ( 0.483 0.869 4.713) 4.817 3.532 ( -0.546 0.256 12.969) 12.983 8.046 ( -1.960 -1.710 2.884) 3.884 8.099 ( 0.235 0.840 2.773) 2.907 8.871 ( -0.570 -0.041 1.239) 1.364 8.914 ( 0.988 0.084 0.479) 1.101 9.097 ( 1.028 0.752 1.516) 1.980 10.886 ( -16.200 -8.778 -5.533) 19.238 13.278 ( -3.088 -3.692 -0.124) 4.815 13.327 ( -0.266 0.582 -1.160) 1.324 13.339 ( -0.951 1.185 -1.179) 1.923 15.740 ( 0.145 -3.337 -1.251) 3.567 15.895 ( 4.631 5.535 -2.983) 7.809 15.946 ( 0.777 -0.218 -0.391) 0.897 16.598 ( 1.568 1.056 5.138) 5.475 16.684 ( 3.211 1.453 1.864) 3.987 21.680 ( -0.785 -0.432 -0.504) 1.028 23.489 ( -0.196 -1.140 0.183) 1.171 23.778 ( 15.536 10.093 -3.525) 18.859 27.228 ( -13.369 -7.492 -0.985) 15.357 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 4.822 2.014 16.313) 17.129 2.372 ( 2.505 3.243 3.078) 5.125 2.701 ( 2.425 -2.186 4.137) 5.270 2.889 ( 4.271 0.855 1.217) 4.522 3.121 ( 1.478 2.518 1.379) 3.229 3.576 ( -2.832 -0.457 8.462) 8.935 7.995 ( -3.135 -2.313 1.120) 4.053 8.108 ( -1.268 0.443 0.384) 1.397 8.884 ( 0.524 0.354 2.179) 2.269 8.922 ( 0.239 -0.676 -0.625) 0.951 9.136 ( 1.466 1.113 0.838) 2.023 10.401 ( -22.492 -11.343 -7.057) 26.160 13.180 ( -3.666 -2.890 -0.623) 4.709 13.309 ( -0.933 -0.133 -1.601) 1.858 13.339 ( 0.111 1.191 -0.977) 1.545 15.723 ( 1.196 -2.183 0.743) 2.598 15.929 ( 0.777 -1.567 -0.571) 1.840 16.034 ( 4.788 5.154 -1.426) 7.178 16.716 ( 4.916 2.848 6.911) 8.947 16.743 ( 2.029 0.650 -1.081) 2.389 21.652 ( -1.220 -0.652 -0.824) 1.610 23.530 ( 3.558 0.891 3.578) 5.124 24.187 ( 20.326 13.034 -3.130) 24.348 26.806 ( -22.308 -12.276 -2.774) 25.613 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 7.842 3.757 12.518) 15.242 2.399 ( -1.739 2.692 -2.031) 3.794 2.772 ( 3.447 -2.685 5.457) 6.990 2.959 ( 2.842 -1.127 1.691) 3.494 3.205 ( 3.339 4.062 1.053) 5.363 3.530 ( -5.196 -2.162 1.986) 5.968 7.914 ( -3.550 -2.109 -1.023) 4.254 8.071 ( -2.682 0.475 -2.026) 3.394 8.891 ( -0.800 -2.853 -2.811) 4.085 8.917 ( 0.279 0.701 2.833) 2.932 9.174 ( 1.104 0.520 0.653) 1.384 9.860 ( -20.076 -9.210 -11.726) 25.008 13.098 ( -2.575 -1.577 -1.030) 3.190 13.276 ( -1.022 -0.711 -1.746) 2.144 13.350 ( 0.601 0.939 -0.654) 1.293 15.746 ( 1.188 0.333 2.510) 2.797 15.923 ( 1.536 -3.456 0.440) 3.807 16.144 ( 3.337 3.661 -0.060) 4.955 16.748 ( 0.475 -0.568 -4.002) 4.070 16.904 ( 6.369 4.530 9.446) 12.260 21.619 ( -1.097 -0.560 -1.107) 1.656 23.667 ( 6.107 2.592 6.925) 9.591 24.645 ( 19.087 11.843 0.416) 22.467 26.228 ( -25.250 -13.664 -7.582) 29.694 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -2.408 1.962 -2.399) 3.925 2.603 ( 7.765 5.788 8.555) 12.922 2.801 ( -0.331 -2.967 2.442) 3.857 2.994 ( 1.749 -2.320 2.463) 3.809 3.309 ( 4.069 3.079 -1.333) 5.274 3.386 ( -7.529 -4.641 -1.000) 8.901 7.834 ( -2.267 -0.591 -3.124) 3.905 8.009 ( -3.227 1.351 -3.612) 5.029 8.760 ( -5.854 -6.709 -9.023) 12.677 8.941 ( -0.359 -0.338 3.527) 3.561 9.166 ( -1.814 -2.710 -0.466) 3.294 9.467 ( -7.576 -0.968 -12.922) 15.010 13.047 ( -1.301 -0.615 -1.334) 1.962 13.240 ( -0.862 -0.897 -1.757) 2.153 13.370 ( 0.953 0.877 -0.160) 1.305 15.794 ( 0.277 2.328 3.139) 3.919 15.926 ( 2.629 -4.305 2.100) 5.465 16.217 ( 1.838 1.513 1.209) 2.671 16.697 ( -1.423 -1.180 -6.132) 6.405 17.134 ( 6.348 5.002 12.133) 14.578 21.594 ( -0.474 -0.181 -1.257) 1.355 23.864 ( 6.811 3.238 9.167) 11.871 25.033 ( 8.956 5.226 11.646) 15.593 25.637 ( -17.048 -8.534 -20.033) 27.655 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -0.457 -3.620 14.724) 15.169 2.305 ( 0.448 10.810 9.867) 14.643 2.701 ( -0.672 -1.309 0.587) 1.584 2.793 ( -0.431 3.101 -0.451) 3.163 3.089 ( 0.428 -0.332 2.052) 2.122 3.625 ( 0.315 -0.253 12.177) 12.183 8.076 ( -1.305 -1.964 2.744) 3.618 8.098 ( 1.396 -1.490 2.357) 3.118 8.869 ( 0.099 -1.295 0.885) 1.571 8.925 ( -0.269 1.761 0.175) 1.790 9.107 ( 0.115 1.097 1.409) 1.789 10.823 ( 0.459 -22.751 -3.741) 23.061 13.272 ( -1.523 -5.354 0.374) 5.579 13.321 ( 1.287 -1.400 -1.378) 2.349 13.327 ( 0.557 0.607 -0.894) 1.216 15.783 ( -5.326 2.950 -1.080) 6.183 15.847 ( 5.082 5.607 -2.794) 8.067 15.944 ( -0.571 0.546 -0.586) 0.984 16.577 ( -0.055 -2.806 4.744) 5.512 16.753 ( -0.111 8.771 1.076) 8.837 21.676 ( 0.013 -1.129 -0.409) 1.201 23.606 ( -6.343 10.297 0.156) 12.095 23.643 ( 6.427 8.367 -3.276) 11.048 27.221 ( 0.137 -15.708 -0.649) 15.722 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 4.087 -1.190 12.947) 13.629 2.456 ( -1.074 9.195 2.611) 9.618 2.698 ( 0.040 -0.235 5.393) 5.398 2.841 ( 3.028 2.005 -0.006) 3.632 3.114 ( 1.706 0.871 0.202) 1.926 3.667 ( -2.134 -1.557 7.042) 7.521 8.026 ( -2.763 -3.580 1.720) 4.838 8.111 ( 0.449 -1.947 0.547) 2.072 8.870 ( 0.868 -1.605 1.096) 2.129 8.934 ( -0.623 1.499 -0.126) 1.628 9.136 ( 0.783 1.538 0.749) 1.881 10.457 ( -10.569 -27.043 -3.136) 29.204 13.186 ( -2.239 -5.162 0.159) 5.629 13.318 ( 0.421 -1.104 -1.425) 1.851 13.324 ( -0.253 0.566 -1.017) 1.191 15.744 ( -2.185 2.775 0.848) 3.632 15.927 ( -1.413 0.793 -0.756) 1.788 15.985 ( 5.612 5.460 -1.989) 8.078 16.617 ( 3.796 -2.804 4.578) 6.576 16.842 ( -0.435 10.075 -0.072) 10.085 21.654 ( -0.671 -1.451 -0.527) 1.683 23.595 ( -2.680 8.821 1.918) 9.416 23.978 ( 16.385 15.347 -3.212) 22.679 26.927 ( -12.055 -20.954 -1.301) 24.209 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 7.680 0.909 8.990) 11.859 2.480 ( -3.114 5.824 -2.686) 7.129 2.765 ( 0.931 0.594 8.315) 8.388 2.912 ( 2.975 0.076 1.333) 3.260 3.178 ( 3.624 3.374 -1.249) 5.107 3.609 ( -4.968 -3.694 1.968) 6.496 7.940 ( -3.416 -4.120 0.237) 5.357 8.081 ( -0.928 -2.262 -1.676) 2.964 8.862 ( -0.423 -2.881 -0.209) 2.920 8.940 ( -0.176 1.305 0.836) 1.559 9.169 ( 0.877 1.357 0.283) 1.640 9.943 ( -15.302 -23.226 -6.412) 28.543 13.106 ( -1.916 -3.368 -0.415) 3.897 13.290 ( -1.656 0.082 -1.327) 2.123 13.329 ( 1.248 -0.478 -0.657) 1.489 15.770 ( 0.427 2.650 2.866) 3.927 15.902 ( -1.539 -0.131 0.129) 1.550 16.110 ( 4.533 3.937 -1.023) 6.091 16.678 ( 3.084 -2.367 1.204) 4.070 16.957 ( 2.312 9.590 2.640) 10.212 21.622 ( -0.932 -1.311 -0.675) 1.745 23.712 ( 1.980 10.341 5.666) 11.956 24.415 ( 19.330 14.663 -3.839) 24.564 26.412 ( -20.273 -23.088 -3.013) 30.873 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -1.575 5.101 -4.314) 6.864 2.547 ( 8.419 2.157 6.056) 10.592 2.817 ( -0.970 -0.316 5.971) 6.057 2.959 ( 2.058 -1.174 2.456) 3.413 3.250 ( 1.839 3.014 -6.928) 7.776 3.474 ( -5.904 -5.263 3.176) 8.524 7.843 ( -2.825 -3.054 -1.522) 4.430 8.020 ( -1.429 -2.397 -3.406) 4.403 8.766 ( -6.147 -4.858 -3.730) 8.678 8.962 ( 0.272 0.376 2.155) 2.204 9.174 ( -1.803 -1.375 -0.479) 2.317 9.478 ( -9.319 -10.845 -9.771) 17.319 13.050 ( -1.267 -1.726 -0.905) 2.325 13.251 ( -1.933 0.206 -1.280) 2.327 13.348 ( 1.681 -0.416 0.055) 1.732 15.838 ( 2.399 1.382 3.615) 4.553 15.878 ( -1.605 0.053 1.404) 2.133 16.197 ( 2.803 1.410 0.361) 3.158 16.677 ( -0.699 -0.291 -3.468) 3.549 17.149 ( 6.432 6.499 7.627) 11.907 21.592 ( -0.668 -0.778 -0.759) 1.275 23.920 ( 3.190 12.087 8.564) 15.153 24.849 ( 19.726 10.558 -4.331) 22.789 25.782 ( -23.333 -22.181 -4.631) 32.525 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -4.794 -0.411 14.034) 14.836 2.417 ( 2.452 7.038 1.461) 7.595 2.739 ( -1.936 2.845 3.797) 5.124 2.864 ( -3.802 3.747 -0.770) 5.393 3.091 ( -0.710 -0.905 0.957) 1.496 3.657 ( 2.529 -2.086 7.935) 8.585 8.044 ( 3.288 -2.935 1.567) 4.677 8.087 ( -0.556 -3.063 0.936) 3.251 8.872 ( -1.144 -1.194 1.334) 2.124 8.941 ( 0.437 1.797 -0.635) 1.955 9.131 ( -0.687 1.268 0.971) 1.739 10.435 ( 11.380 -28.409 -2.372) 30.696 13.202 ( 2.413 -5.495 -0.364) 6.013 13.300 ( -0.900 -1.231 -0.418) 1.581 13.318 ( 0.770 0.744 -0.872) 1.381 15.801 ( 3.702 3.745 -1.581) 5.498 15.919 ( -6.713 3.451 -1.157) 7.636 15.964 ( -0.059 3.140 -0.611) 3.200 16.622 ( -3.958 -2.476 4.654) 6.592 16.844 ( 0.443 10.368 -0.613) 10.395 21.653 ( 0.694 -1.488 -0.491) 1.714 23.626 ( 3.363 10.443 1.089) 11.025 23.944 ( -17.014 13.619 -2.320) 21.916 26.921 ( 12.312 -21.389 -0.899) 24.696 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -1.348 0.316 11.463) 11.546 2.531 ( 1.998 6.408 -4.016) 7.822 2.781 ( -1.403 4.910 8.091) 9.568 2.842 ( -1.177 2.790 -1.357) 3.318 3.093 ( 1.034 -0.277 0.884) 1.388 3.694 ( 0.225 -3.602 3.360) 4.931 8.030 ( -0.876 -5.213 0.334) 5.297 8.071 ( 1.025 -3.071 1.435) 3.541 8.852 ( -0.101 -2.271 1.566) 2.761 8.956 ( -0.276 1.774 -0.845) 1.984 9.148 ( 0.193 1.701 0.520) 1.790 10.223 ( 0.850 -33.896 1.832) 33.956 13.159 ( -0.441 -5.698 0.457) 5.733 13.278 ( 0.503 -1.614 -0.460) 1.752 13.333 ( 0.133 1.017 -0.699) 1.241 15.815 ( -2.836 2.429 -2.833) 4.687 15.921 ( 3.381 1.475 -0.290) 3.700 16.000 ( -1.299 7.495 -0.476) 7.622 16.601 ( -0.306 -1.685 5.498) 5.759 16.940 ( -0.114 11.178 -3.363) 11.673 21.640 ( 0.017 -1.872 -0.285) 1.893 23.731 ( -1.677 8.490 -5.495) 10.251 23.989 ( 1.790 21.899 4.890) 22.509 26.782 ( 0.203 -27.122 -0.972) 27.140 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 3.546 0.842 8.369) 9.129 2.547 ( -1.628 5.071 -6.573) 8.460 2.843 ( -0.996 2.169 4.185) 4.818 2.894 ( 1.578 3.609 4.047) 5.648 3.141 ( 3.126 2.437 0.005) 3.964 3.634 ( -2.677 -5.699 -0.637) 6.329 7.949 ( -2.516 -5.529 0.525) 6.097 8.046 ( -0.195 -4.081 -0.532) 4.120 8.841 ( 0.232 -3.600 2.601) 4.447 8.959 ( -0.395 1.654 -0.951) 1.948 9.174 ( 0.545 1.821 -0.055) 1.902 9.854 ( -7.550 -29.950 1.555) 30.926 13.098 ( -1.282 -3.958 0.529) 4.194 13.277 ( 1.273 -1.649 0.024) 2.084 13.329 ( -1.118 1.031 -0.836) 1.736 15.793 ( -0.361 1.368 -1.154) 1.826 15.963 ( -0.894 2.306 1.358) 2.822 16.074 ( 2.521 5.896 -1.450) 6.575 16.636 ( 1.715 -1.542 4.757) 5.287 17.025 ( 0.897 10.470 -3.950) 11.227 21.616 ( -0.500 -1.724 -0.153) 1.802 23.803 ( 3.269 10.466 -1.754) 11.104 24.331 ( 8.043 21.356 2.493) 22.956 26.399 ( -10.371 -29.740 -1.721) 31.544 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 6.442 1.792 2.890) 7.284 2.519 ( -1.375 3.842 -4.942) 6.409 2.874 ( 0.328 0.438 3.426) 3.470 2.957 ( -0.567 1.744 3.900) 4.310 3.218 ( 1.674 4.271 -4.348) 6.320 3.508 ( -3.424 -7.060 1.010) 7.911 7.851 ( -3.001 -4.737 0.060) 5.608 7.981 ( -1.127 -4.889 -2.051) 5.420 8.804 ( -2.988 -4.018 2.975) 5.824 8.969 ( 0.380 1.043 -0.073) 1.113 9.192 ( -0.757 0.949 -0.464) 1.299 9.449 ( -9.237 -17.929 -2.930) 20.381 13.048 ( -1.164 -2.225 0.097) 2.513 13.279 ( -0.709 -0.212 0.104) 0.747 13.318 ( 0.445 -0.031 -0.338) 0.560 15.804 ( 1.382 -0.805 0.054) 1.600 15.974 ( -2.698 4.057 2.689) 5.565 16.159 ( 3.146 2.338 -0.877) 4.017 16.669 ( 0.327 0.012 0.798) 0.863 17.143 ( 4.833 7.032 -0.059) 8.533 21.591 ( -0.618 -1.119 -0.066) 1.280 24.022 ( 7.707 13.674 2.074) 15.833 24.670 ( 9.241 15.700 -1.930) 18.320 25.859 ( -16.647 -28.964 -0.926) 33.420 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -5.664 0.945 7.904) 9.769 2.413 ( 2.019 3.825 0.715) 4.384 2.833 ( -0.958 3.687 3.094) 4.908 2.958 ( -3.352 2.900 -0.947) 4.532 3.132 ( -3.865 0.859 0.953) 4.072 3.601 ( 4.876 -3.741 3.062) 6.866 7.951 ( 3.947 -4.075 0.271) 5.680 8.047 ( 1.334 -3.816 -0.639) 4.093 8.888 ( -0.688 -1.419 -0.821) 1.778 8.940 ( 0.687 1.666 0.109) 1.805 9.167 ( -1.269 1.283 0.637) 1.913 9.906 ( 15.414 -25.307 -4.072) 29.910 13.111 ( 2.319 -3.462 -0.774) 4.238 13.290 ( 1.256 0.407 -1.176) 1.769 13.319 ( -1.389 -0.824 0.151) 1.622 15.778 ( 1.650 1.857 0.266) 2.499 15.986 ( -0.177 2.809 -0.806) 2.928 16.058 ( -5.355 3.362 0.050) 6.324 16.686 ( -2.965 -1.925 0.532) 3.575 16.953 ( -1.716 9.578 2.356) 10.011 21.621 ( 0.945 -1.368 -0.606) 1.769 23.737 ( -1.191 11.588 4.442) 12.467 24.388 ( -20.302 13.504 -2.610) 24.522 26.401 ( 20.400 -23.782 -2.090) 31.403 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -4.827 1.814 8.057) 9.566 2.497 ( 3.571 4.827 -4.400) 7.444 2.863 ( -0.942 2.219 -0.051) 2.411 2.921 ( -2.277 3.950 -0.232) 4.565 3.114 ( -1.785 1.307 4.213) 4.758 3.634 ( 2.693 -5.236 -0.236) 5.893 7.951 ( 2.128 -6.126 -0.693) 6.522 8.042 ( 1.204 -3.157 1.960) 3.906 8.846 ( -1.056 -3.317 1.083) 3.645 8.963 ( 0.456 1.547 -1.264) 2.049 9.168 ( -0.441 1.374 0.403) 1.498 9.836 ( 8.445 -30.219 4.258) 31.665 13.102 ( 1.262 -4.048 0.110) 4.241 13.271 ( -1.227 -1.648 0.512) 2.118 13.328 ( 1.176 1.157 -0.534) 1.734 15.829 ( 1.816 2.525 -2.698) 4.117 15.916 ( -3.362 -0.512 -1.543) 3.734 16.093 ( -0.599 6.873 0.597) 6.925 16.645 ( -1.873 -1.202 4.101) 4.666 17.029 ( -0.835 10.966 -4.146) 11.754 21.616 ( 0.522 -1.724 -0.089) 1.804 23.821 ( -3.983 10.473 -4.705) 12.152 24.312 ( -7.311 21.407 5.606) 23.306 26.395 ( 10.626 -29.891 -0.966) 31.738 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( -2.026 1.000 6.651) 7.024 2.554 ( 1.126 6.160 -7.853) 10.044 2.850 ( 0.387 0.482 -2.425) 2.502 2.967 ( 0.616 3.871 1.919) 4.364 3.151 ( 0.022 3.044 5.574) 6.351 3.582 ( -0.230 -6.985 -3.179) 7.678 7.907 ( 0.353 -6.149 -0.212) 6.163 8.028 ( -1.103 -3.387 2.147) 4.159 8.814 ( 0.458 -5.469 4.257) 6.945 8.969 ( -0.035 1.318 -2.082) 2.465 9.182 ( 0.360 1.167 -0.087) 1.224 9.664 ( -0.207 -26.883 8.257) 28.124 13.078 ( -0.093 -3.367 0.954) 3.501 13.249 ( 0.168 -1.589 0.891) 1.830 13.348 ( -0.080 1.167 -0.386) 1.232 15.809 ( -1.934 1.653 -3.677) 4.472 15.934 ( 4.136 0.747 -0.667) 4.256 16.142 ( -1.379 6.005 -0.011) 6.162 16.648 ( -0.280 -1.396 5.955) 6.122 17.083 ( -0.400 10.773 -8.288) 13.598 21.604 ( -0.013 -1.593 0.359) 1.633 23.814 ( 0.051 8.616 -7.612) 11.497 24.558 ( -0.037 25.559 8.182) 26.837 26.166 ( -0.034 -33.020 -0.697) 33.028 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 2.498 -0.172 3.493) 4.297 2.554 ( -1.810 6.455 -8.473) 10.804 2.859 ( 1.617 -1.052 0.025) 1.929 3.018 ( 0.312 2.456 1.144) 2.727 3.233 ( 0.565 5.475 1.499) 5.704 3.469 ( -1.272 -8.140 -1.492) 8.373 7.843 ( -1.478 -5.024 0.788) 5.296 7.967 ( -2.971 -4.036 1.590) 5.258 8.809 ( 0.810 -5.817 7.240) 9.323 8.966 ( 0.369 0.855 -2.318) 2.498 9.201 ( 0.936 0.808 -0.466) 1.322 9.426 ( -7.565 -16.876 6.521) 19.610 13.048 ( -0.886 -2.101 0.987) 2.484 13.258 ( 1.506 -1.318 1.480) 2.489 13.342 ( -1.574 1.212 -0.554) 2.062 15.785 ( -0.100 0.418 -1.853) 1.902 16.009 ( 3.338 0.951 -0.233) 3.478 16.168 ( -1.138 4.509 -0.669) 4.698 16.678 ( 0.434 -0.803 4.875) 4.959 17.130 ( 1.967 7.967 -8.028) 11.480 21.591 ( -0.390 -1.019 0.669) 1.280 23.935 ( 9.821 8.927 -7.167) 15.083 24.836 ( -1.450 22.631 3.512) 22.948 25.770 ( -8.165 -31.853 2.960) 33.016 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -0.000 0.000 10.034) 10.034 2.201 ( -0.000 0.000 10.034) 10.034 2.730 ( 0.000 -0.000 -1.125) 1.125 2.730 ( 0.000 -0.000 -1.125) 1.125 3.103 ( -0.000 0.000 0.964) 0.964 3.715 ( -0.000 0.000 11.625) 11.625 8.122 ( -0.000 0.000 2.448) 2.448 8.122 ( -0.000 0.000 2.448) 2.448 8.896 ( -0.000 0.000 0.289) 0.289 8.896 ( -0.000 0.000 0.289) 0.289 9.106 ( -0.000 0.000 1.328) 1.328 11.020 ( 0.000 -0.000 -3.972) 3.972 13.314 ( 0.000 -0.000 -0.670) 0.670 13.314 ( 0.000 -0.000 -0.670) 0.670 13.352 ( -0.000 0.000 0.096) 0.096 15.757 ( 0.000 -0.000 -1.611) 1.611 15.757 ( 0.000 -0.000 -1.611) 1.611 15.939 ( 0.000 -0.000 -0.270) 0.270 16.653 ( -0.000 0.000 2.371) 2.371 16.653 ( -0.000 0.000 2.371) 2.371 21.686 ( 0.000 -0.000 -0.225) 0.225 23.519 ( 0.000 -0.000 -1.315) 1.315 23.519 ( 0.000 -0.000 -1.315) 1.315 27.377 ( 0.000 -0.000 -0.500) 0.500 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 1.912 -0.522 11.215) 11.389 2.330 ( 1.848 2.858 1.340) 3.658 2.716 ( 1.242 0.281 1.790) 2.197 2.788 ( 4.246 2.098 -1.909) 5.106 3.105 ( -0.094 0.222 0.120) 0.269 3.752 ( -2.534 -1.340 7.357) 7.896 8.096 ( -2.651 -2.102 2.005) 3.933 8.134 ( -0.954 0.092 0.665) 1.166 8.895 ( 0.376 0.262 1.243) 1.324 8.909 ( 0.335 0.019 -0.827) 0.893 9.121 ( 0.692 0.458 0.821) 1.167 10.801 ( -16.572 -9.243 -2.902) 19.196 13.279 ( -3.560 -3.423 0.232) 4.945 13.307 ( -0.820 0.185 -0.864) 1.206 13.321 ( -0.580 0.519 -0.631) 1.002 15.735 ( 0.766 -1.461 0.683) 1.785 15.841 ( 5.390 4.682 -2.259) 7.489 15.940 ( 0.458 0.114 -0.221) 0.522 16.690 ( 3.980 0.742 3.850) 5.587 16.696 ( 0.590 1.828 -0.618) 2.018 21.672 ( -1.009 -0.577 -0.248) 1.189 23.512 ( 2.080 0.444 2.052) 2.956 23.705 ( 14.322 9.087 -3.610) 17.342 27.214 ( -13.740 -7.869 -0.399) 15.839 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 1.131 -0.316 -4.006) 4.174 2.384 ( 3.423 3.359 9.252) 10.421 2.788 ( 3.129 0.745 3.957) 5.099 2.883 ( 5.309 2.509 -2.252) 6.289 3.116 ( 1.197 1.390 -1.197) 2.190 3.698 ( -5.211 -2.847 3.149) 6.721 8.019 ( -4.443 -3.079 1.142) 5.525 8.099 ( -2.522 -0.631 -1.154) 2.845 8.892 ( -0.836 -1.113 -2.111) 2.528 8.927 ( 1.122 0.949 1.960) 2.450 9.149 ( 1.341 0.811 0.368) 1.610 10.286 ( -25.636 -14.274 -4.509) 29.686 13.168 ( -4.467 -2.799 -0.529) 5.298 13.283 ( -1.098 -0.520 -0.866) 1.492 13.328 ( 0.585 0.561 -0.148) 0.824 15.758 ( 1.138 0.421 2.629) 2.895 15.920 ( 2.056 -1.686 -0.264) 2.672 16.008 ( 5.364 5.422 -1.065) 7.701 16.695 ( 0.025 -0.047 -3.743) 3.743 16.846 ( 7.120 4.220 5.938) 10.187 21.641 ( -1.523 -0.868 -0.332) 1.784 23.621 ( 5.656 2.747 5.363) 8.264 24.097 ( 21.152 12.793 -5.527) 25.330 26.775 ( -23.975 -13.724 -0.451) 27.629 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -0.762 -1.691 8.316) 8.520 2.379 ( 0.877 5.894 -2.478) 6.454 2.734 ( -0.180 2.966 2.875) 4.134 2.763 ( -0.202 3.363 -2.383) 4.127 3.103 ( 0.121 -0.389 0.158) 0.437 3.791 ( 0.045 -2.991 3.598) 4.679 8.115 ( -0.788 -2.982 0.504) 3.125 8.127 ( 0.813 -1.685 0.977) 2.111 8.888 ( 0.016 -0.724 1.120) 1.334 8.917 ( -0.073 1.388 -0.876) 1.643 9.126 ( 0.027 0.811 0.410) 0.909 10.778 ( 0.148 -20.382 -0.659) 20.394 13.281 ( -0.909 -5.382 0.320) 5.467 13.301 ( 0.711 -1.015 -0.508) 1.339 13.316 ( 0.253 0.169 -0.177) 0.352 15.761 ( -1.730 1.508 -1.531) 2.758 15.814 ( 1.734 6.766 0.089) 6.985 15.938 ( -0.199 0.317 -0.083) 0.383 16.657 ( -0.093 -0.942 3.166) 3.304 16.747 ( 0.054 6.409 -1.652) 6.619 21.671 ( 0.002 -1.252 -0.099) 1.256 23.566 ( -0.870 4.930 -3.248) 5.968 23.643 ( 0.898 14.208 2.424) 14.441 27.212 ( 0.026 -15.858 -0.204) 15.859 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 1.228 0.236 2.952) 3.205 2.409 ( 1.192 3.961 -3.382) 5.344 2.802 ( 1.620 3.342 1.241) 3.916 2.822 ( 3.087 4.855 0.517) 5.776 3.105 ( 0.350 0.552 -0.715) 0.968 3.740 ( -2.620 -4.564 -0.161) 5.265 8.053 ( -2.693 -4.349 0.740) 5.168 8.105 ( -1.041 -2.254 -0.917) 2.647 8.888 ( -0.621 -0.632 0.195) 0.907 8.928 ( 0.820 1.032 0.110) 1.322 9.143 ( 0.671 1.204 -0.105) 1.383 10.418 ( -14.535 -25.175 -0.648) 29.077 13.193 ( -2.957 -5.175 0.493) 5.981 13.299 ( -0.421 -0.447 -0.422) 0.745 13.311 ( 0.200 0.108 -0.220) 0.316 15.770 ( 1.194 1.084 1.601) 2.273 15.912 ( -0.459 4.784 -0.449) 4.827 15.962 ( 4.253 2.981 -0.421) 5.211 16.673 ( -0.025 -0.228 0.262) 0.348 16.834 ( 4.102 7.110 -0.101) 8.209 21.649 ( -0.875 -1.517 -0.011) 1.751 23.630 ( 3.709 6.423 1.022) 7.487 23.929 ( 10.734 18.598 -1.121) 21.503 26.913 ( -12.547 -21.736 -0.126) 25.098 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -0.000 0.000 0.000) 0.000 2.306 ( -0.000 0.000 0.000) 0.000 2.713 ( -0.000 0.000 0.000) 0.000 2.713 ( -0.000 0.000 0.000) 0.000 3.108 ( -0.000 0.000 0.000) 0.000 3.835 ( -0.000 0.000 0.000) 0.000 8.147 ( -0.000 0.000 0.000) 0.000 8.147 ( -0.000 0.000 0.000) 0.000 8.899 ( -0.000 0.000 0.000) 0.000 8.899 ( -0.000 0.000 0.000) 0.000 9.120 ( -0.000 0.000 0.000) 0.000 10.980 ( -0.000 0.000 0.000) 0.000 13.307 ( -0.000 0.000 0.000) 0.000 13.307 ( -0.000 0.000 0.000) 0.000 13.353 ( -0.000 0.000 0.000) 0.000 15.740 ( -0.000 0.000 0.000) 0.000 15.740 ( -0.000 0.000 0.000) 0.000 15.936 ( -0.000 0.000 0.000) 0.000 16.677 ( -0.000 0.000 0.000) 0.000 16.677 ( -0.000 0.000 0.000) 0.000 21.684 ( -0.000 0.000 0.000) 0.000 23.505 ( -0.000 0.000 0.000) 0.000 23.505 ( -0.000 0.000 0.000) 0.000 27.372 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/41472 10.0 277.378 277.378 443.083 0.000 -0.000 0.000 3/41472 20.0 73.095 73.095 101.716 0.000 -0.000 0.000 3/41472 30.0 44.655 44.655 57.921 0.000 -0.000 0.000 3/41472 40.0 34.926 34.926 43.608 0.000 -0.000 0.000 3/41472 50.0 28.097 28.097 34.413 0.000 -0.000 0.000 3/41472 60.0 22.270 22.270 27.027 0.000 -0.000 0.000 3/41472 70.0 17.561 17.561 21.220 0.000 -0.000 0.000 3/41472 80.0 14.010 14.010 16.894 0.000 -0.000 0.000 3/41472 90.0 11.407 11.407 13.741 0.000 -0.000 0.000 3/41472 100.0 9.498 9.498 11.434 0.000 -0.000 0.000 3/41472 110.0 8.076 8.076 9.719 0.000 -0.000 0.000 3/41472 120.0 6.996 6.996 8.415 0.000 -0.000 0.000 3/41472 130.0 6.157 6.157 7.404 0.000 -0.000 0.000 3/41472 140.0 5.494 5.494 6.603 0.000 -0.000 0.000 3/41472 150.0 4.960 4.960 5.957 0.000 -0.000 0.000 3/41472 160.0 4.522 4.522 5.428 0.000 -0.000 0.000 3/41472 170.0 4.160 4.160 4.988 0.000 -0.000 0.000 3/41472 180.0 3.854 3.854 4.617 0.000 -0.000 0.000 3/41472 190.0 3.595 3.595 4.302 0.000 -0.000 0.000 3/41472 200.0 3.372 3.372 4.030 0.000 -0.000 0.000 3/41472 210.0 3.179 3.179 3.794 0.000 -0.000 0.000 3/41472 220.0 3.010 3.010 3.587 0.000 -0.000 0.000 3/41472 230.0 2.861 2.861 3.404 0.000 -0.000 0.000 3/41472 240.0 2.728 2.728 3.242 0.000 -0.000 0.000 3/41472 250.0 2.610 2.610 3.096 0.000 -0.000 0.000 3/41472 260.0 2.503 2.503 2.965 0.000 -0.000 0.000 3/41472 270.0 2.407 2.407 2.846 0.000 -0.000 0.000 3/41472 280.0 2.319 2.319 2.737 0.000 -0.000 0.000 3/41472 290.0 2.239 2.239 2.638 0.000 -0.000 0.000 3/41472 300.0 2.165 2.165 2.547 0.000 -0.000 0.000 3/41472 310.0 2.096 2.096 2.462 0.000 -0.000 0.000 3/41472 320.0 2.033 2.033 2.384 0.000 -0.000 0.000 3/41472 330.0 1.974 1.974 2.312 0.000 -0.000 0.000 3/41472 340.0 1.919 1.919 2.244 0.000 -0.000 0.000 3/41472 350.0 1.867 1.867 2.180 0.000 -0.000 0.000 3/41472 360.0 1.819 1.819 2.121 0.000 -0.000 0.000 3/41472 370.0 1.773 1.773 2.065 0.000 -0.000 0.000 3/41472 380.0 1.730 1.730 2.012 0.000 -0.000 0.000 3/41472 390.0 1.689 1.689 1.962 0.000 -0.000 0.000 3/41472 400.0 1.651 1.651 1.915 0.000 -0.000 0.000 3/41472 410.0 1.614 1.614 1.870 0.000 -0.000 0.000 3/41472 420.0 1.579 1.579 1.827 0.000 -0.000 0.000 3/41472 430.0 1.545 1.545 1.786 0.000 -0.000 0.000 3/41472 440.0 1.513 1.513 1.748 0.000 -0.000 0.000 3/41472 450.0 1.483 1.483 1.711 0.000 -0.000 0.000 3/41472 460.0 1.453 1.453 1.675 0.000 -0.000 0.000 3/41472 470.0 1.425 1.425 1.641 0.000 -0.000 0.000 3/41472 480.0 1.398 1.398 1.609 0.000 -0.000 0.000 3/41472 490.0 1.372 1.372 1.578 0.000 -0.000 0.000 3/41472 500.0 1.347 1.347 1.548 0.000 -0.000 0.000 3/41472 510.0 1.323 1.323 1.519 0.000 -0.000 0.000 3/41472 520.0 1.300 1.300 1.491 0.000 -0.000 0.000 3/41472 530.0 1.278 1.278 1.464 0.000 -0.000 0.000 3/41472 540.0 1.256 1.256 1.439 0.000 -0.000 0.000 3/41472 550.0 1.235 1.235 1.414 0.000 -0.000 0.000 3/41472 560.0 1.215 1.215 1.390 0.000 -0.000 0.000 3/41472 570.0 1.195 1.195 1.367 0.000 -0.000 0.000 3/41472 580.0 1.177 1.177 1.344 0.000 -0.000 0.000 3/41472 590.0 1.158 1.158 1.323 0.000 -0.000 0.000 3/41472 600.0 1.141 1.141 1.302 0.000 -0.000 0.000 3/41472 610.0 1.123 1.123 1.281 0.000 -0.000 0.000 3/41472 620.0 1.107 1.107 1.262 0.000 -0.000 0.000 3/41472 630.0 1.090 1.090 1.243 0.000 -0.000 0.000 3/41472 640.0 1.075 1.075 1.224 0.000 -0.000 0.000 3/41472 650.0 1.059 1.059 1.206 0.000 -0.000 0.000 3/41472 660.0 1.045 1.045 1.189 0.000 -0.000 0.000 3/41472 670.0 1.030 1.030 1.172 0.000 -0.000 0.000 3/41472 680.0 1.016 1.016 1.155 0.000 -0.000 0.000 3/41472 690.0 1.002 1.002 1.139 0.000 -0.000 0.000 3/41472 700.0 0.989 0.989 1.124 0.000 -0.000 0.000 3/41472 710.0 0.976 0.976 1.109 0.000 -0.000 0.000 3/41472 720.0 0.963 0.963 1.094 0.000 -0.000 0.000 3/41472 730.0 0.951 0.951 1.080 0.000 -0.000 0.000 3/41472 740.0 0.939 0.939 1.066 0.000 -0.000 0.000 3/41472 750.0 0.927 0.927 1.052 0.000 -0.000 0.000 3/41472 760.0 0.916 0.916 1.039 0.000 -0.000 0.000 3/41472 770.0 0.905 0.905 1.026 0.000 -0.000 0.000 3/41472 780.0 0.894 0.894 1.013 0.000 -0.000 0.000 3/41472 790.0 0.883 0.883 1.001 0.000 -0.000 0.000 3/41472 800.0 0.873 0.873 0.989 0.000 -0.000 0.000 3/41472 810.0 0.862 0.862 0.977 0.000 -0.000 0.000 3/41472 820.0 0.853 0.853 0.965 0.000 -0.000 0.000 3/41472 830.0 0.843 0.843 0.954 0.000 -0.000 0.000 3/41472 840.0 0.833 0.833 0.943 0.000 -0.000 0.000 3/41472 850.0 0.824 0.824 0.932 0.000 -0.000 0.000 3/41472 860.0 0.815 0.815 0.922 0.000 -0.000 0.000 3/41472 870.0 0.806 0.806 0.912 0.000 -0.000 0.000 3/41472 880.0 0.797 0.797 0.902 0.000 -0.000 0.000 3/41472 890.0 0.789 0.789 0.892 0.000 -0.000 0.000 3/41472 900.0 0.781 0.781 0.882 0.000 -0.000 0.000 3/41472 910.0 0.772 0.772 0.873 0.000 -0.000 0.000 3/41472 920.0 0.764 0.764 0.864 0.000 -0.000 0.000 3/41472 930.0 0.757 0.757 0.855 0.000 -0.000 0.000 3/41472 940.0 0.749 0.749 0.846 0.000 -0.000 0.000 3/41472 950.0 0.741 0.741 0.837 0.000 -0.000 0.000 3/41472 960.0 0.734 0.734 0.829 0.000 -0.000 0.000 3/41472 970.0 0.727 0.727 0.820 0.000 -0.000 0.000 3/41472 980.0 0.720 0.720 0.812 0.000 -0.000 0.000 3/41472 990.0 0.713 0.713 0.804 0.000 -0.000 0.000 3/41472 1000.0 0.706 0.706 0.796 0.000 -0.000 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:14:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|