----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:27:03]------------------------- 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: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-4 (82) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.360465330000000 4.360465330000000 4.301291740000000 b 4.360465330000000 -4.360465330000000 4.301291740000000 c 4.360465330000000 4.360465330000000 -4.301291740000000 Atomic positions (fractional): *1 La 0.11795247739420 0.23582130671670 0.61634210569788 138.905 *2 La 0.25000000000000 0.75000000000000 0.50000000000000 138.905 3 La 0.49838962830367 0.88204752260580 0.11786882932250 138.905 4 La 0.61947920101883 0.50161037169633 0.38365789430212 138.905 5 La 0.76417869328330 0.38052079898117 0.88213117067750 138.905 *6 S 0.86918972883996 0.76652387565997 0.25828273982328 32.065 *7 S 0.87240554695114 0.29092083415272 0.26034333842581 32.065 8 S 0.38793779147467 0.12759445304886 0.41851528720158 32.065 9 S 0.03057749572691 0.61206220852532 0.73965666157419 32.065 10 S 0.23347612434003 0.49175886416331 0.10266585317999 32.065 11 S 0.50824113583669 0.61090698901668 0.74171726017672 32.065 12 S 0.38909301098332 0.13081027116004 0.89733414682001 32.065 13 S 0.70907916584728 0.96942250427309 0.58148471279841 32.065 *14 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.720930660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.720930660000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.602583480000000 Atomic positions (fractional): *1 La 0.36710546751019 0.24923663818769 0.86871583920651 138.905 > 1 *2 La 0.00000000000000 0.50000000000000 0.75000000000000 138.905 > 2 3 La 0.25076336181231 0.86710546751019 0.63128416079349 138.905 > 3 4 La 0.13289453248981 0.25076336181231 0.36871583920652 138.905 > 4 5 La 0.24923663818769 0.63289453248981 0.13128416079349 138.905 > 5 6 La 0.86710546751019 0.74923663818769 0.36871583920652 138.905 > 1 7 La 0.50000000000000 0.00000000000000 0.25000000000000 138.905 > 2 8 La 0.75076336181231 0.36710546751019 0.13128416079349 138.905 > 3 9 La 0.63289453248981 0.75076336181231 0.86871583920651 138.905 > 4 10 La 0.74923663818769 0.13289453248981 0.63128416079349 138.905 > 5 *11 S 0.07780844332164 0.18047429650164 0.68871543233832 32.065 > 6 *12 S 0.83942931281370 0.42091402561211 0.45149152133902 32.065 > 7 13 S 0.07908597438789 0.33942931281370 0.04850847866098 32.065 > 8 14 S 0.66057068718630 0.07908597438789 0.95149152133902 32.065 > 9 15 S 0.18047429650164 0.92219155667835 0.31128456766168 32.065 > 10 16 S 0.42219155667836 0.31952570349836 0.18871543233832 32.065 > 11 17 S 0.31952570349836 0.57780844332165 0.81128456766168 32.065 > 12 18 S 0.42091402561211 0.16057068718630 0.54850847866098 32.065 > 13 19 S 0.57780844332165 0.68047429650164 0.18871543233832 32.065 > 6 20 S 0.33942931281370 0.92091402561211 0.95149152133902 32.065 > 7 21 S 0.57908597438789 0.83942931281370 0.54850847866098 32.065 > 8 22 S 0.16057068718630 0.57908597438789 0.45149152133902 32.065 > 9 23 S 0.68047429650164 0.42219155667836 0.81128456766168 32.065 > 10 24 S 0.92219155667835 0.81952570349836 0.68871543233832 32.065 > 11 25 S 0.81952570349836 0.07780844332164 0.31128456766168 32.065 > 12 26 S 0.92091402561211 0.66057068718630 0.04850847866098 32.065 > 13 *27 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 14 28 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.720930660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.720930660000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.205166960000000 Atomic positions (fractional): *1 La 0.36710546751019 0.24923663818769 0.43435791960326 138.905 > 1 2 La 0.36710546751019 0.24923663818769 0.93435791960326 138.905 > 1 *3 La 0.00000000000000 0.50000000000000 0.37500000000000 138.905 > 2 4 La 0.00000000000000 0.50000000000000 0.87500000000000 138.905 > 2 5 La 0.25076336181231 0.86710546751019 0.31564208039674 138.905 > 3 6 La 0.25076336181231 0.86710546751019 0.81564208039674 138.905 > 3 7 La 0.13289453248981 0.25076336181231 0.18435791960326 138.905 > 4 8 La 0.13289453248981 0.25076336181231 0.68435791960326 138.905 > 4 9 La 0.24923663818769 0.63289453248981 0.06564208039674 138.905 > 5 10 La 0.24923663818769 0.63289453248981 0.56564208039674 138.905 > 5 11 La 0.86710546751019 0.74923663818769 0.18435791960326 138.905 > 1 12 La 0.86710546751019 0.74923663818769 0.68435791960326 138.905 > 1 13 La 0.50000000000000 0.00000000000000 0.12500000000000 138.905 > 2 14 La 0.50000000000000 0.00000000000000 0.62500000000000 138.905 > 2 15 La 0.75076336181231 0.36710546751019 0.06564208039674 138.905 > 3 16 La 0.75076336181231 0.36710546751019 0.56564208039674 138.905 > 3 17 La 0.63289453248981 0.75076336181231 0.43435791960326 138.905 > 4 18 La 0.63289453248981 0.75076336181231 0.93435791960326 138.905 > 4 19 La 0.74923663818769 0.13289453248981 0.31564208039674 138.905 > 5 20 La 0.74923663818769 0.13289453248981 0.81564208039674 138.905 > 5 *21 S 0.07780844332164 0.18047429650164 0.34435771616916 32.065 > 6 22 S 0.07780844332164 0.18047429650164 0.84435771616916 32.065 > 6 *23 S 0.83942931281370 0.42091402561211 0.22574576066951 32.065 > 7 24 S 0.83942931281370 0.42091402561211 0.72574576066951 32.065 > 7 25 S 0.07908597438789 0.33942931281370 0.02425423933049 32.065 > 8 26 S 0.07908597438789 0.33942931281370 0.52425423933049 32.065 > 8 27 S 0.66057068718630 0.07908597438789 0.47574576066951 32.065 > 9 28 S 0.66057068718630 0.07908597438789 0.97574576066951 32.065 > 9 29 S 0.18047429650164 0.92219155667835 0.15564228383084 32.065 > 10 30 S 0.18047429650164 0.92219155667835 0.65564228383084 32.065 > 10 31 S 0.42219155667836 0.31952570349836 0.09435771616916 32.065 > 11 32 S 0.42219155667836 0.31952570349836 0.59435771616916 32.065 > 11 33 S 0.31952570349836 0.57780844332165 0.40564228383084 32.065 > 12 34 S 0.31952570349836 0.57780844332165 0.90564228383084 32.065 > 12 35 S 0.42091402561211 0.16057068718630 0.27425423933049 32.065 > 13 36 S 0.42091402561211 0.16057068718630 0.77425423933049 32.065 > 13 37 S 0.57780844332165 0.68047429650164 0.09435771616916 32.065 > 6 38 S 0.57780844332165 0.68047429650164 0.59435771616916 32.065 > 6 39 S 0.33942931281370 0.92091402561211 0.47574576066951 32.065 > 7 40 S 0.33942931281370 0.92091402561211 0.97574576066951 32.065 > 7 41 S 0.57908597438789 0.83942931281370 0.27425423933049 32.065 > 8 42 S 0.57908597438789 0.83942931281370 0.77425423933049 32.065 > 8 43 S 0.16057068718630 0.57908597438789 0.22574576066951 32.065 > 9 44 S 0.16057068718630 0.57908597438789 0.72574576066951 32.065 > 9 45 S 0.68047429650164 0.42219155667836 0.40564228383084 32.065 > 10 46 S 0.68047429650164 0.42219155667836 0.90564228383084 32.065 > 10 47 S 0.92219155667835 0.81952570349836 0.34435771616916 32.065 > 11 48 S 0.92219155667835 0.81952570349836 0.84435771616916 32.065 > 11 49 S 0.81952570349836 0.07780844332164 0.15564228383084 32.065 > 12 50 S 0.81952570349836 0.07780844332164 0.65564228383084 32.065 > 12 51 S 0.92091402561211 0.66057068718630 0.02425423933049 32.065 > 13 52 S 0.92091402561211 0.66057068718630 0.52425423933049 32.065 > 13 *53 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 14 54 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 14 55 Tl 0.50000000000000 0.50000000000000 0.25000000000000 204.383 > 14 56 Tl 0.50000000000000 0.50000000000000 0.75000000000000 204.383 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.2178171 0.0000139 0.0000000 -0.0000139 9.2178171 0.0000000 0.0000000 0.0000000 9.0270802 -------------------------- Born effective charges -------------------------- 1 La 4.0675179 -0.2489706 0.0759135 -0.1834153 4.1505903 0.2165307 0.0336463 0.1507564 4.2741735 2 La 4.1368012 0.0170904 0.0000000 -0.0170904 4.1368012 0.0000000 -0.0000000 -0.0000000 4.4287909 3 La 4.1505903 0.1834153 0.2165307 0.2489706 4.0675179 -0.0759135 0.1507564 -0.0336463 4.2741735 4 La 4.0675179 -0.2489706 -0.0759135 -0.1834153 4.1505903 -0.2165307 -0.0336463 -0.1507564 4.2741735 5 La 4.1505903 0.1834153 -0.2165307 0.2489706 4.0675179 0.0759135 -0.1507564 0.0336463 4.2741735 6 S -2.9433222 0.1718523 -0.1914261 0.1538710 -2.8859027 0.0883219 -0.2651808 0.1142536 -2.8109172 7 S -2.6892335 0.2494384 -0.3276624 0.1797835 -2.8867440 0.1772772 -0.1853538 0.1521273 -3.0810304 8 S -2.8867440 -0.1797835 0.1772772 -0.2494384 -2.6892335 0.3276624 0.1521273 0.1853538 -3.0810304 9 S -2.6892335 0.2494384 0.3276624 0.1797835 -2.8867440 -0.1772772 0.1853538 -0.1521273 -3.0810304 10 S -2.8859027 -0.1538710 -0.0883219 -0.1718523 -2.9433222 -0.1914261 -0.1142536 -0.2651808 -2.8109172 11 S -2.9433222 0.1718523 0.1914261 0.1538710 -2.8859027 -0.0883219 0.2651808 -0.1142536 -2.8109172 12 S -2.8859027 -0.1538710 0.0883219 -0.1718523 -2.9433222 0.1914261 0.1142536 0.2651808 -2.8109172 13 S -2.8867440 -0.1797835 -0.1772772 -0.2494384 -2.6892335 -0.3276624 -0.1521273 -0.1853538 -3.0810304 14 Tl 2.2373872 -0.0612521 0.0000000 0.0612521 2.2373872 0.0000000 -0.0000000 -0.0000000 2.0423057 ---------------------------------------------------------------------------- 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: 168/168 Permutation basis: 4380/4380 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 904 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 214 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 110 Use standard eigh solver. Tree of FC basis block matrices: - (904, 872), data: False |-- (110, 105), data: True |-- (196, 189), data: True |-- (214, 206), data: True |-- (384, 372), data: True ----- Solver_atoms: 1 -- 56 / 56 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 480 - Time: 0.482 Solver_block: 200 / 480 - Time: 0.501 Solver_block: 300 / 480 - Time: 0.486 Solver_block: 400 / 480 - Time: 0.508 Solver_block: 480 / 480 - Time: 0.418 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.426 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 168/168 Permutation basis: 4380/4380 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 904 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 214 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 110 Use standard eigh solver. Tree of FC basis block matrices: - (904, 872), data: False |-- (110, 105), data: True |-- (196, 189), data: True |-- (214, 206), data: True |-- (384, 372), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:27:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:27:19]------------------------- 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): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-4 (82) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.360465330000000 4.360465330000000 4.301291740000000 b 4.360465330000000 -4.360465330000000 4.301291740000000 c 4.360465330000000 4.360465330000000 -4.301291740000000 Atomic positions (fractional): 1 La 0.11795247739420 0.23582130671670 0.61634210569788 138.905 2 La 0.25000000000000 0.75000000000000 0.50000000000000 138.905 3 La 0.49838962830367 0.88204752260580 0.11786882932250 138.905 4 La 0.61947920101883 0.50161037169633 0.38365789430212 138.905 5 La 0.76417869328330 0.38052079898117 0.88213117067750 138.905 6 S 0.86918972883996 0.76652387565997 0.25828273982328 32.065 7 S 0.87240554695114 0.29092083415272 0.26034333842581 32.065 8 S 0.38793779147467 0.12759445304886 0.41851528720158 32.065 9 S 0.03057749572691 0.61206220852532 0.73965666157419 32.065 10 S 0.23347612434003 0.49175886416331 0.10266585317999 32.065 11 S 0.50824113583669 0.61090698901668 0.74171726017672 32.065 12 S 0.38909301098332 0.13081027116004 0.89733414682001 32.065 13 S 0.70907916584728 0.96942250427309 0.58148471279841 32.065 14 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.720930660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.720930660000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.205166960000000 Atomic positions (fractional): 1 La 0.36710546751019 0.24923663818769 0.43435791960326 138.905 > 1 2 La 0.36710546751019 0.24923663818769 0.93435791960326 138.905 > 1 3 La 0.00000000000000 0.50000000000000 0.37500000000000 138.905 > 3 4 La 0.00000000000000 0.50000000000000 0.87500000000000 138.905 > 3 5 La 0.25076336181231 0.86710546751019 0.31564208039674 138.905 > 5 6 La 0.25076336181231 0.86710546751019 0.81564208039674 138.905 > 5 7 La 0.13289453248981 0.25076336181231 0.18435791960326 138.905 > 7 8 La 0.13289453248981 0.25076336181231 0.68435791960326 138.905 > 7 9 La 0.24923663818769 0.63289453248981 0.06564208039674 138.905 > 9 10 La 0.24923663818769 0.63289453248981 0.56564208039674 138.905 > 9 11 La 0.86710546751019 0.74923663818769 0.18435791960326 138.905 > 1 12 La 0.86710546751019 0.74923663818769 0.68435791960326 138.905 > 1 13 La 0.50000000000000 0.00000000000000 0.12500000000000 138.905 > 3 14 La 0.50000000000000 0.00000000000000 0.62500000000000 138.905 > 3 15 La 0.75076336181231 0.36710546751019 0.06564208039674 138.905 > 5 16 La 0.75076336181231 0.36710546751019 0.56564208039674 138.905 > 5 17 La 0.63289453248981 0.75076336181231 0.43435791960326 138.905 > 7 18 La 0.63289453248981 0.75076336181231 0.93435791960326 138.905 > 7 19 La 0.74923663818769 0.13289453248981 0.31564208039674 138.905 > 9 20 La 0.74923663818769 0.13289453248981 0.81564208039674 138.905 > 9 21 S 0.07780844332164 0.18047429650164 0.34435771616916 32.065 > 21 22 S 0.07780844332164 0.18047429650164 0.84435771616916 32.065 > 21 23 S 0.83942931281370 0.42091402561211 0.22574576066951 32.065 > 23 24 S 0.83942931281370 0.42091402561211 0.72574576066951 32.065 > 23 25 S 0.07908597438789 0.33942931281370 0.02425423933049 32.065 > 25 26 S 0.07908597438789 0.33942931281370 0.52425423933049 32.065 > 25 27 S 0.66057068718630 0.07908597438789 0.47574576066951 32.065 > 27 28 S 0.66057068718630 0.07908597438789 0.97574576066951 32.065 > 27 29 S 0.18047429650164 0.92219155667835 0.15564228383084 32.065 > 29 30 S 0.18047429650164 0.92219155667835 0.65564228383084 32.065 > 29 31 S 0.42219155667836 0.31952570349836 0.09435771616916 32.065 > 31 32 S 0.42219155667836 0.31952570349836 0.59435771616916 32.065 > 31 33 S 0.31952570349836 0.57780844332165 0.40564228383084 32.065 > 33 34 S 0.31952570349836 0.57780844332165 0.90564228383084 32.065 > 33 35 S 0.42091402561211 0.16057068718630 0.27425423933049 32.065 > 35 36 S 0.42091402561211 0.16057068718630 0.77425423933049 32.065 > 35 37 S 0.57780844332165 0.68047429650164 0.09435771616916 32.065 > 21 38 S 0.57780844332165 0.68047429650164 0.59435771616916 32.065 > 21 39 S 0.33942931281370 0.92091402561211 0.47574576066951 32.065 > 23 40 S 0.33942931281370 0.92091402561211 0.97574576066951 32.065 > 23 41 S 0.57908597438789 0.83942931281370 0.27425423933049 32.065 > 25 42 S 0.57908597438789 0.83942931281370 0.77425423933049 32.065 > 25 43 S 0.16057068718630 0.57908597438789 0.22574576066951 32.065 > 27 44 S 0.16057068718630 0.57908597438789 0.72574576066951 32.065 > 27 45 S 0.68047429650164 0.42219155667836 0.40564228383084 32.065 > 29 46 S 0.68047429650164 0.42219155667836 0.90564228383084 32.065 > 29 47 S 0.92219155667835 0.81952570349836 0.34435771616916 32.065 > 31 48 S 0.92219155667835 0.81952570349836 0.84435771616916 32.065 > 31 49 S 0.81952570349836 0.07780844332164 0.15564228383084 32.065 > 33 50 S 0.81952570349836 0.07780844332164 0.65564228383084 32.065 > 33 51 S 0.92091402561211 0.66057068718630 0.02425423933049 32.065 > 35 52 S 0.92091402561211 0.66057068718630 0.52425423933049 32.065 > 35 53 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 53 54 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 53 55 Tl 0.50000000000000 0.50000000000000 0.25000000000000 204.383 > 53 56 Tl 0.50000000000000 0.50000000000000 0.75000000000000 204.383 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.2178171 0.0000139 0.0000000 -0.0000139 9.2178171 0.0000000 0.0000000 0.0000000 9.0270802 -------------------------- Born effective charges -------------------------- 1 La 4.0675179 -0.2489706 0.0759135 -0.1834153 4.1505903 0.2165307 0.0336463 0.1507564 4.2741735 2 La 4.1368012 0.0170904 0.0000000 -0.0170904 4.1368012 0.0000000 -0.0000000 -0.0000000 4.4287909 3 La 4.1505903 0.1834153 0.2165307 0.2489706 4.0675179 -0.0759135 0.1507564 -0.0336463 4.2741735 4 La 4.0675179 -0.2489706 -0.0759135 -0.1834153 4.1505903 -0.2165307 -0.0336463 -0.1507564 4.2741735 5 La 4.1505903 0.1834153 -0.2165307 0.2489706 4.0675179 0.0759135 -0.1507564 0.0336463 4.2741735 6 S -2.9433222 0.1718523 -0.1914261 0.1538710 -2.8859027 0.0883219 -0.2651808 0.1142536 -2.8109172 7 S -2.6892335 0.2494384 -0.3276624 0.1797835 -2.8867440 0.1772772 -0.1853538 0.1521273 -3.0810304 8 S -2.8867440 -0.1797835 0.1772772 -0.2494384 -2.6892335 0.3276624 0.1521273 0.1853538 -3.0810304 9 S -2.6892335 0.2494384 0.3276624 0.1797835 -2.8867440 -0.1772772 0.1853538 -0.1521273 -3.0810304 10 S -2.8859027 -0.1538710 -0.0883219 -0.1718523 -2.9433222 -0.1914261 -0.1142536 -0.2651808 -2.8109172 11 S -2.9433222 0.1718523 0.1914261 0.1538710 -2.8859027 -0.0883219 0.2651808 -0.1142536 -2.8109172 12 S -2.8859027 -0.1538710 0.0883219 -0.1718523 -2.9433222 0.1914261 0.1142536 0.2651808 -2.8109172 13 S -2.8867440 -0.1797835 -0.1772772 -0.2494384 -2.6892335 -0.3276624 -0.1521273 -0.1853538 -3.0810304 14 Tl 2.2373872 -0.0612521 0.0000000 0.0612521 2.2373872 0.0000000 -0.0000000 -0.0000000 2.0423057 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, 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[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, 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: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:27:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:27:26]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-4 (82) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.360465330000000 4.360465330000000 4.301291740000000 b 4.360465330000000 -4.360465330000000 4.301291740000000 c 4.360465330000000 4.360465330000000 -4.301291740000000 Atomic positions (fractional): 1 La 0.11795247739420 0.23582130671670 0.61634210569788 138.905 2 La 0.25000000000000 0.75000000000000 0.50000000000000 138.905 3 La 0.49838962830367 0.88204752260580 0.11786882932250 138.905 4 La 0.61947920101883 0.50161037169633 0.38365789430212 138.905 5 La 0.76417869328330 0.38052079898117 0.88213117067750 138.905 6 S 0.86918972883996 0.76652387565997 0.25828273982328 32.065 7 S 0.87240554695114 0.29092083415272 0.26034333842581 32.065 8 S 0.38793779147467 0.12759445304886 0.41851528720158 32.065 9 S 0.03057749572691 0.61206220852532 0.73965666157419 32.065 10 S 0.23347612434003 0.49175886416331 0.10266585317999 32.065 11 S 0.50824113583669 0.61090698901668 0.74171726017672 32.065 12 S 0.38909301098332 0.13081027116004 0.89733414682001 32.065 13 S 0.70907916584728 0.96942250427309 0.58148471279841 32.065 14 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.720930660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.720930660000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.205166960000000 Atomic positions (fractional): 1 La 0.36710546751019 0.24923663818769 0.43435791960326 138.905 > 1 2 La 0.36710546751019 0.24923663818769 0.93435791960326 138.905 > 1 3 La 0.00000000000000 0.50000000000000 0.37500000000000 138.905 > 3 4 La 0.00000000000000 0.50000000000000 0.87500000000000 138.905 > 3 5 La 0.25076336181231 0.86710546751019 0.31564208039674 138.905 > 5 6 La 0.25076336181231 0.86710546751019 0.81564208039674 138.905 > 5 7 La 0.13289453248981 0.25076336181231 0.18435791960326 138.905 > 7 8 La 0.13289453248981 0.25076336181231 0.68435791960326 138.905 > 7 9 La 0.24923663818769 0.63289453248981 0.06564208039674 138.905 > 9 10 La 0.24923663818769 0.63289453248981 0.56564208039674 138.905 > 9 11 La 0.86710546751019 0.74923663818769 0.18435791960326 138.905 > 1 12 La 0.86710546751019 0.74923663818769 0.68435791960326 138.905 > 1 13 La 0.50000000000000 0.00000000000000 0.12500000000000 138.905 > 3 14 La 0.50000000000000 0.00000000000000 0.62500000000000 138.905 > 3 15 La 0.75076336181231 0.36710546751019 0.06564208039674 138.905 > 5 16 La 0.75076336181231 0.36710546751019 0.56564208039674 138.905 > 5 17 La 0.63289453248981 0.75076336181231 0.43435791960326 138.905 > 7 18 La 0.63289453248981 0.75076336181231 0.93435791960326 138.905 > 7 19 La 0.74923663818769 0.13289453248981 0.31564208039674 138.905 > 9 20 La 0.74923663818769 0.13289453248981 0.81564208039674 138.905 > 9 21 S 0.07780844332164 0.18047429650164 0.34435771616916 32.065 > 21 22 S 0.07780844332164 0.18047429650164 0.84435771616916 32.065 > 21 23 S 0.83942931281370 0.42091402561211 0.22574576066951 32.065 > 23 24 S 0.83942931281370 0.42091402561211 0.72574576066951 32.065 > 23 25 S 0.07908597438789 0.33942931281370 0.02425423933049 32.065 > 25 26 S 0.07908597438789 0.33942931281370 0.52425423933049 32.065 > 25 27 S 0.66057068718630 0.07908597438789 0.47574576066951 32.065 > 27 28 S 0.66057068718630 0.07908597438789 0.97574576066951 32.065 > 27 29 S 0.18047429650164 0.92219155667835 0.15564228383084 32.065 > 29 30 S 0.18047429650164 0.92219155667835 0.65564228383084 32.065 > 29 31 S 0.42219155667836 0.31952570349836 0.09435771616916 32.065 > 31 32 S 0.42219155667836 0.31952570349836 0.59435771616916 32.065 > 31 33 S 0.31952570349836 0.57780844332165 0.40564228383084 32.065 > 33 34 S 0.31952570349836 0.57780844332165 0.90564228383084 32.065 > 33 35 S 0.42091402561211 0.16057068718630 0.27425423933049 32.065 > 35 36 S 0.42091402561211 0.16057068718630 0.77425423933049 32.065 > 35 37 S 0.57780844332165 0.68047429650164 0.09435771616916 32.065 > 21 38 S 0.57780844332165 0.68047429650164 0.59435771616916 32.065 > 21 39 S 0.33942931281370 0.92091402561211 0.47574576066951 32.065 > 23 40 S 0.33942931281370 0.92091402561211 0.97574576066951 32.065 > 23 41 S 0.57908597438789 0.83942931281370 0.27425423933049 32.065 > 25 42 S 0.57908597438789 0.83942931281370 0.77425423933049 32.065 > 25 43 S 0.16057068718630 0.57908597438789 0.22574576066951 32.065 > 27 44 S 0.16057068718630 0.57908597438789 0.72574576066951 32.065 > 27 45 S 0.68047429650164 0.42219155667836 0.40564228383084 32.065 > 29 46 S 0.68047429650164 0.42219155667836 0.90564228383084 32.065 > 29 47 S 0.92219155667835 0.81952570349836 0.34435771616916 32.065 > 31 48 S 0.92219155667835 0.81952570349836 0.84435771616916 32.065 > 31 49 S 0.81952570349836 0.07780844332164 0.15564228383084 32.065 > 33 50 S 0.81952570349836 0.07780844332164 0.65564228383084 32.065 > 33 51 S 0.92091402561211 0.66057068718630 0.02425423933049 32.065 > 35 52 S 0.92091402561211 0.66057068718630 0.52425423933049 32.065 > 35 53 Tl 0.00000000000000 0.00000000000000 0.00000000000000 204.383 > 53 54 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 53 55 Tl 0.50000000000000 0.50000000000000 0.25000000000000 204.383 > 53 56 Tl 0.50000000000000 0.50000000000000 0.75000000000000 204.383 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.2178171 0.0000139 0.0000000 -0.0000139 9.2178171 0.0000000 0.0000000 0.0000000 9.0270802 -------------------------- Born effective charges -------------------------- 1 La 4.0675179 -0.2489706 0.0759135 -0.1834153 4.1505903 0.2165307 0.0336463 0.1507564 4.2741735 2 La 4.1368012 0.0170904 0.0000000 -0.0170904 4.1368012 0.0000000 -0.0000000 -0.0000000 4.4287909 3 La 4.1505903 0.1834153 0.2165307 0.2489706 4.0675179 -0.0759135 0.1507564 -0.0336463 4.2741735 4 La 4.0675179 -0.2489706 -0.0759135 -0.1834153 4.1505903 -0.2165307 -0.0336463 -0.1507564 4.2741735 5 La 4.1505903 0.1834153 -0.2165307 0.2489706 4.0675179 0.0759135 -0.1507564 0.0336463 4.2741735 6 S -2.9433222 0.1718523 -0.1914261 0.1538710 -2.8859027 0.0883219 -0.2651808 0.1142536 -2.8109172 7 S -2.6892335 0.2494384 -0.3276624 0.1797835 -2.8867440 0.1772772 -0.1853538 0.1521273 -3.0810304 8 S -2.8867440 -0.1797835 0.1772772 -0.2494384 -2.6892335 0.3276624 0.1521273 0.1853538 -3.0810304 9 S -2.6892335 0.2494384 0.3276624 0.1797835 -2.8867440 -0.1772772 0.1853538 -0.1521273 -3.0810304 10 S -2.8859027 -0.1538710 -0.0883219 -0.1718523 -2.9433222 -0.1914261 -0.1142536 -0.2651808 -2.8109172 11 S -2.9433222 0.1718523 0.1914261 0.1538710 -2.8859027 -0.0883219 0.2651808 -0.1142536 -2.8109172 12 S -2.8859027 -0.1538710 0.0883219 -0.1718523 -2.9433222 0.1914261 0.1142536 0.2651808 -2.8109172 13 S -2.8867440 -0.1797835 -0.1772772 -0.2494384 -2.6892335 -0.3276624 -0.1521273 -0.1853538 -3.0810304 14 Tl 2.2373872 -0.0612521 0.0000000 0.0612521 2.2373872 0.0000000 -0.0000000 -0.0000000 2.0423057 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 8 ] 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: 0.60, Number of G-points: 321, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 78 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 1.809 ( 0.000 0.000 0.000) 0.000 1.863 ( 0.000 -0.000 0.000) 0.000 1.863 ( 0.000 0.000 0.000) 0.000 2.334 ( -0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.615 ( -0.000 0.000 0.000) 0.000 2.677 ( -0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 -0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.534 ( -0.000 0.000 0.000) 0.000 3.875 ( -0.000 0.000 0.000) 0.000 4.103 ( -0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.116 ( -0.000 0.000 0.000) 0.000 4.651 ( -0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 -0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 -0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.428 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 -0.000 0.000) 0.000 6.043 ( 0.000 -0.000 0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.808 ( -0.000 0.000 0.000) 0.000 6.899 ( 0.000 0.000 0.000) 0.000 7.149 ( 0.000 -0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.474 ( 0.000 -0.000 0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.088 ( -0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 0.000) 0.000 8.350 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -2.171 12.155 17.891) 21.738 0.507 ( -0.120 17.341 17.081) 24.341 0.905 ( 0.981 23.321 35.683) 42.640 1.811 ( -0.189 -1.243 1.198) 1.737 1.865 ( 0.023 0.659 -0.736) 0.988 1.881 ( 0.226 2.176 0.291) 2.207 2.272 ( 0.003 -3.002 -4.142) 5.116 2.581 ( -0.343 -3.051 -0.896) 3.199 2.630 ( 0.500 2.174 -2.510) 3.358 2.737 ( 0.332 2.882 3.829) 4.804 2.913 ( -0.465 -1.870 -3.988) 4.430 3.080 ( 0.411 -3.637 1.079) 3.816 3.487 ( -3.978 -2.162 -4.847) 6.633 3.523 ( 3.844 1.911 -3.466) 5.518 3.816 ( 0.161 -1.649 -3.218) 3.620 4.095 ( 1.527 -0.826 -0.681) 1.865 4.123 ( -2.548 0.403 -2.441) 3.551 4.220 ( 1.156 1.149 4.400) 4.692 4.641 ( 0.062 -1.040 -0.275) 1.077 4.716 ( -0.900 1.993 -4.971) 5.431 4.965 ( 0.796 -1.256 1.968) 2.466 5.187 ( -2.191 -5.978 -1.200) 6.478 5.234 ( 3.693 -1.378 0.873) 4.038 5.379 ( -0.524 -1.491 0.370) 1.623 5.427 ( -1.189 4.931 0.680) 5.118 5.478 ( -0.904 3.544 1.874) 4.110 5.536 ( 0.633 13.032 -12.698) 18.206 6.010 ( -0.547 -3.629 -0.209) 3.676 6.047 ( 0.909 0.524 1.365) 1.722 6.253 ( -1.306 2.819 -1.619) 3.503 6.356 ( 0.848 3.571 1.936) 4.150 6.798 ( 1.607 -1.882 0.686) 2.568 6.832 ( -2.140 1.149 1.840) 3.047 6.935 ( 0.360 7.473 -0.781) 7.522 7.137 ( -0.063 2.481 -0.146) 2.486 7.282 ( -0.004 -1.115 -0.487) 1.217 7.452 ( 0.085 0.413 -3.031) 3.060 8.048 ( 1.131 -4.139 -0.287) 4.300 8.065 ( -1.226 -2.083 -0.815) 2.551 8.215 ( 0.475 -3.807 -0.893) 3.939 8.307 ( 0.022 -1.798 1.190) 2.156 8.608 ( -0.127 -16.970 17.018) 24.033 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -2.261 10.818 15.750) 19.241 0.976 ( -0.006 15.357 14.621) 21.204 1.556 ( 0.132 8.025 13.677) 15.858 1.820 ( 0.412 -1.282 0.540) 1.451 1.856 ( -1.312 0.656 -0.800) 1.670 2.043 ( 1.066 11.414 15.205) 19.042 2.188 ( 0.574 0.656 -1.524) 1.756 2.498 ( 0.111 -4.735 -3.046) 5.632 2.606 ( 0.777 0.281 -3.106) 3.214 2.798 ( 2.586 -1.025 0.093) 2.783 2.903 ( -3.164 2.906 3.811) 5.743 3.014 ( 0.205 -2.342 -2.609) 3.511 3.354 ( -3.435 -3.338 -6.601) 8.156 3.469 ( 4.912 0.175 -6.402) 8.071 3.772 ( -0.624 -0.616 -1.087) 1.396 4.028 ( -1.392 -4.467 -3.668) 5.945 4.083 ( -0.514 -0.329 -2.544) 2.616 4.279 ( 1.626 0.022 1.688) 2.344 4.618 ( 0.347 -1.783 0.052) 1.817 4.654 ( -1.943 -2.783 -2.404) 4.160 4.980 ( 1.372 -1.605 2.593) 3.344 5.097 ( -1.563 -4.749 0.573) 5.033 5.228 ( 3.133 -1.746 1.137) 3.763 5.374 ( 1.501 -0.496 0.850) 1.795 5.423 ( -2.815 2.123 -6.620) 7.501 5.561 ( 0.592 2.700 2.204) 3.535 5.609 ( -1.919 6.525 1.991) 7.087 5.950 ( 0.656 -3.119 -0.901) 3.312 6.099 ( 0.066 2.907 2.261) 3.683 6.281 ( -0.365 2.377 0.003) 2.404 6.447 ( -0.322 4.185 2.695) 4.988 6.773 ( 2.166 -1.386 -0.525) 2.624 6.894 ( -2.246 1.884 3.504) 4.569 7.047 ( 0.620 6.879 0.119) 6.908 7.176 ( -1.441 1.935 0.711) 2.516 7.266 ( -0.111 -1.394 1.145) 1.807 7.415 ( 0.847 3.242 -4.595) 5.687 7.950 ( 2.005 -6.349 -2.701) 7.185 8.014 ( -2.132 -3.280 -0.583) 3.955 8.146 ( 1.209 -2.693 -2.133) 3.642 8.271 ( -0.273 -3.645 -0.298) 3.667 8.609 ( -0.186 -5.821 5.359) 7.914 ======================= Grid point 3 (4/78) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -1.885 8.492 12.134) 14.930 1.343 ( 0.366 10.267 9.030) 13.678 1.632 ( -0.339 -3.139 -1.281) 3.407 1.765 ( 0.638 -0.803 -2.936) 3.109 1.897 ( -1.918 3.269 2.335) 4.451 2.170 ( 0.125 -1.006 1.240) 1.601 2.330 ( 0.986 -3.065 -2.266) 3.937 2.545 ( 2.476 -3.011 -1.806) 4.296 2.594 ( 0.034 9.934 10.497) 14.452 2.794 ( 1.168 1.736 2.001) 2.895 2.974 ( -1.760 2.593 1.736) 3.583 3.040 ( -1.842 2.478 7.174) 7.810 3.241 ( -0.438 0.854 -5.080) 5.170 3.362 ( 3.907 -1.132 -5.770) 7.060 3.732 ( -0.384 -3.984 -2.744) 4.853 3.868 ( -2.384 -5.750 -6.107) 8.720 4.041 ( -0.219 -0.803 -1.791) 1.975 4.274 ( 1.404 -0.854 -0.757) 1.809 4.571 ( -1.723 -3.618 -0.750) 4.077 4.607 ( 0.284 -0.813 0.090) 0.866 4.984 ( 0.625 -1.454 1.097) 1.925 5.082 ( -0.004 -1.345 2.854) 3.155 5.218 ( 1.481 -0.993 0.324) 1.813 5.334 ( -0.601 0.351 -5.933) 5.974 5.396 ( 0.484 -0.247 1.289) 1.398 5.612 ( 0.484 0.841 1.275) 1.602 5.719 ( -3.182 4.071 1.720) 5.446 5.906 ( 1.761 -1.693 -0.079) 2.444 6.176 ( -1.591 2.813 1.933) 3.766 6.302 ( 2.202 1.492 -1.467) 3.038 6.558 ( -1.919 3.451 4.786) 6.205 6.761 ( 2.725 -0.099 1.018) 2.910 6.956 ( -2.416 0.204 0.691) 2.521 7.101 ( 1.612 1.760 0.460) 2.431 7.199 ( -2.544 0.397 -1.509) 2.985 7.277 ( -0.182 -0.214 2.762) 2.776 7.454 ( 1.079 8.154 -1.519) 8.364 7.805 ( 1.575 -6.715 -3.364) 7.674 7.962 ( -1.754 -3.196 0.109) 3.647 8.068 ( 1.400 -3.024 -2.860) 4.391 8.224 ( -0.301 -1.222 -0.567) 1.380 8.595 ( -0.162 -2.677 1.341) 2.999 ======================= Grid point 4 (5/78) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 0.000 0.000 0.000) 0.000 1.477 ( -0.000 0.000 0.000) 0.000 1.540 ( 0.000 -0.000 -0.000) 0.000 1.744 ( -0.000 0.000 0.000) 0.000 2.009 ( -0.000 0.000 0.000) 0.000 2.066 ( 0.000 -0.000 0.000) 0.000 2.364 ( -0.000 0.000 0.000) 0.000 2.458 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.833 ( -0.000 0.000 0.000) 0.000 3.078 ( -0.000 0.000 0.000) 0.000 3.121 ( -0.000 0.000 -0.000) 0.000 3.265 ( -0.000 0.000 0.000) 0.000 3.368 ( -0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.798 ( -0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.258 ( -0.000 0.000 0.000) 0.000 4.537 ( -0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.103 ( -0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.405 ( -0.000 0.000 0.000) 0.000 5.626 ( -0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.897 ( -0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.293 ( -0.000 0.000 0.000) 0.000 6.631 ( -0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 6.925 ( -0.000 0.000 0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 7.173 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.528 ( -0.000 0.000 0.000) 0.000 7.712 ( -0.000 0.000 0.000) 0.000 7.938 ( -0.000 0.000 0.000) 0.000 8.013 ( 0.000 0.000 0.000) 0.000 8.215 ( -0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/78) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 9.183 6.216 18.004) 21.145 0.835 ( 8.352 9.639 17.291) 21.486 1.478 ( 6.837 7.123 23.829) 25.794 1.826 ( -0.857 -0.571 0.402) 1.106 1.873 ( 2.058 0.650 -0.154) 2.164 1.939 ( 2.942 4.265 11.446) 12.564 2.197 ( 0.400 0.594 -4.305) 4.364 2.548 ( -1.698 -2.830 -2.805) 4.332 2.585 ( -0.810 0.791 -2.293) 2.557 2.804 ( 0.630 2.854 -1.009) 3.092 2.880 ( 1.472 -0.924 3.572) 3.973 3.043 ( -3.857 -3.611 -2.011) 5.653 3.345 ( -2.977 -5.276 -6.259) 8.710 3.504 ( 2.858 6.093 -7.826) 10.322 3.764 ( -0.696 -1.372 -1.595) 2.216 4.052 ( -1.470 -1.791 -2.122) 3.142 4.100 ( 0.856 -0.142 -3.822) 3.920 4.273 ( -0.656 0.642 2.228) 2.409 4.628 ( -1.146 -0.712 -0.889) 1.616 4.673 ( 1.400 -0.097 -1.953) 2.405 4.994 ( -2.433 -1.486 3.678) 4.654 5.154 ( -2.943 -6.872 0.970) 7.538 5.215 ( -5.240 0.226 0.861) 5.315 5.342 ( -3.131 -2.922 0.338) 4.296 5.428 ( 2.390 0.891 -3.318) 4.185 5.537 ( 2.609 2.589 3.015) 4.754 5.566 ( 5.908 4.883 2.662) 8.114 6.000 ( -1.767 -1.094 -0.576) 2.157 6.050 ( 0.205 0.070 1.242) 1.260 6.270 ( 4.875 4.332 -2.108) 6.854 6.408 ( 1.115 1.190 4.520) 4.805 6.795 ( -1.395 0.823 -0.771) 1.794 6.881 ( 2.429 -0.523 3.104) 3.976 6.982 ( 4.745 5.704 1.873) 7.653 7.160 ( 2.065 1.148 1.032) 2.578 7.275 ( -0.278 -0.224 0.257) 0.440 7.393 ( 0.709 1.223 -5.460) 5.640 8.000 ( -4.287 -2.024 -2.611) 5.413 8.032 ( 0.142 -2.541 -2.223) 3.379 8.160 ( -0.872 0.144 -4.574) 4.659 8.319 ( -1.504 -1.619 0.386) 2.244 8.662 ( -8.343 -8.460 5.583) 13.129 ======================= Grid point 11 (7/78) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 5.910 5.610 15.226) 17.269 1.213 ( 3.586 10.479 12.891) 16.996 1.654 ( 0.170 -0.499 1.449) 1.542 1.800 ( -0.590 -1.096 -2.120) 2.459 1.877 ( 3.343 0.007 0.776) 3.432 2.124 ( -1.698 2.712 1.002) 3.352 2.400 ( 1.346 0.324 2.806) 3.129 2.476 ( 3.250 5.659 10.952) 12.749 2.580 ( -0.479 1.395 0.924) 1.740 2.774 ( -0.047 1.206 -4.861) 5.009 2.933 ( -1.833 -1.562 1.742) 2.972 3.021 ( 1.019 0.202 7.861) 7.930 3.204 ( -3.141 -1.310 -5.937) 6.843 3.446 ( 5.508 3.211 -8.894) 10.943 3.733 ( -2.184 -1.429 -0.218) 2.619 3.943 ( -0.225 -6.210 -5.502) 8.300 4.042 ( -0.736 0.538 -3.897) 4.002 4.277 ( -1.594 -0.670 -1.538) 2.314 4.588 ( -1.746 -2.800 -0.918) 3.426 4.653 ( 1.583 -1.436 0.607) 2.222 5.009 ( -2.801 -3.926 2.847) 5.600 5.088 ( -3.713 -3.933 1.960) 5.753 5.218 ( -3.098 -0.478 -0.140) 3.138 5.309 ( -3.517 -2.007 -0.795) 4.126 5.400 ( -0.187 -0.112 -0.591) 0.630 5.586 ( -1.089 0.206 0.970) 1.473 5.683 ( 4.873 3.736 4.256) 7.471 5.978 ( 3.699 -1.253 0.002) 3.906 6.089 ( -2.527 3.405 0.655) 4.291 6.303 ( 2.755 3.577 -2.216) 5.029 6.510 ( 1.261 2.230 6.258) 6.762 6.798 ( 2.182 1.559 -0.909) 2.831 6.924 ( 0.166 0.271 2.281) 2.303 7.097 ( 3.466 4.699 1.662) 6.071 7.178 ( 1.833 0.231 -0.233) 1.862 7.293 ( 0.083 -0.665 2.970) 3.045 7.360 ( 0.891 5.991 -4.542) 7.571 7.896 ( -1.179 -4.616 -5.183) 7.040 7.966 ( -1.478 -2.272 -0.913) 2.860 8.106 ( -0.872 0.026 -3.353) 3.464 8.266 ( -0.181 -4.132 -0.946) 4.243 8.611 ( -4.604 -4.722 1.015) 6.673 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 2.884 4.095 9.782) 10.990 1.456 ( 1.968 4.593 3.833) 6.298 1.605 ( 1.125 -4.334 -2.229) 5.001 1.769 ( 2.484 -0.599 0.635) 2.633 1.921 ( 0.450 4.170 2.313) 4.789 2.170 ( 0.148 -4.197 -1.846) 4.588 2.294 ( -0.275 2.941 -1.053) 3.136 2.532 ( 1.952 -3.874 -3.811) 5.775 2.656 ( -3.505 1.460 -0.336) 3.812 2.753 ( -4.043 1.808 -1.272) 4.608 3.076 ( 1.810 2.259 3.193) 4.310 3.128 ( -0.935 -1.639 4.419) 4.805 3.225 ( 1.949 7.444 7.448) 10.710 3.376 ( 6.742 3.084 -1.601) 7.584 3.653 ( 0.638 -7.995 -7.617) 11.061 3.779 ( -1.832 -2.323 -1.135) 3.169 4.012 ( -1.359 1.394 -1.761) 2.625 4.231 ( -2.431 -0.183 -2.999) 3.865 4.543 ( -1.120 -2.431 0.594) 2.741 4.643 ( 1.776 -1.939 1.306) 2.936 4.979 ( -3.060 -3.476 1.291) 4.807 5.068 ( -6.668 -1.843 -0.697) 6.953 5.206 ( -1.419 -0.641 -0.642) 1.685 5.285 ( -0.814 -0.878 1.916) 2.259 5.396 ( -1.585 -0.650 0.229) 1.729 5.586 ( -3.464 -0.370 -0.078) 3.485 5.786 ( 4.436 2.144 3.963) 6.323 5.954 ( 5.233 -1.590 -1.051) 5.569 6.158 ( -2.988 3.779 1.159) 4.956 6.298 ( 0.737 0.835 -2.258) 2.518 6.631 ( 2.111 1.919 4.016) 4.926 6.809 ( 2.024 0.420 -0.938) 2.269 6.928 ( 1.778 1.286 -1.584) 2.707 7.138 ( 0.908 0.552 -1.191) 1.596 7.177 ( 2.805 1.485 -0.052) 3.174 7.335 ( 2.174 -0.965 3.177) 3.969 7.439 ( -0.915 8.979 -0.873) 9.068 7.752 ( -0.676 -5.054 -3.923) 6.433 7.947 ( -0.809 -1.433 1.849) 2.475 8.041 ( -0.623 -2.716 -2.500) 3.743 8.216 ( 0.056 -0.852 -0.328) 0.915 8.563 ( -3.674 -1.240 -1.499) 4.157 ======================= Grid point 13 (9/78) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 4.284 -6.581 -6.523) 10.208 1.473 ( 1.834 -7.162 -3.270) 8.084 1.588 ( 1.367 3.767 3.389) 5.249 1.787 ( 2.914 -1.555 3.471) 4.791 2.008 ( 3.315 -5.847 -4.406) 8.037 2.065 ( -1.247 8.516 2.501) 8.963 2.338 ( -1.155 -3.365 -2.977) 4.638 2.450 ( -2.327 3.992 0.710) 4.675 2.679 ( 0.634 0.060 -0.711) 0.955 2.767 ( -4.892 0.143 -1.017) 4.999 3.038 ( 1.332 -2.839 -4.549) 5.525 3.116 ( 0.225 -3.703 -4.818) 6.081 3.245 ( 0.694 -3.807 2.497) 4.605 3.387 ( 3.565 -2.421 -2.488) 4.976 3.652 ( 1.468 6.863 7.361) 10.171 3.818 ( 0.771 4.801 3.523) 6.005 4.034 ( -1.131 1.113 2.025) 2.573 4.206 ( -3.351 2.191 -2.175) 4.557 4.547 ( 0.200 0.672 1.535) 1.687 4.635 ( 1.936 -1.535 1.201) 2.747 4.951 ( -3.788 -1.619 -0.393) 4.138 5.025 ( -6.862 0.320 -2.315) 7.249 5.178 ( -2.071 -0.646 -1.819) 2.831 5.322 ( -3.096 -0.678 2.291) 3.910 5.406 ( 0.959 -0.865 4.331) 4.520 5.582 ( -3.510 -0.167 -0.053) 3.514 5.846 ( 4.734 -2.159 2.173) 5.639 5.902 ( 4.418 -0.139 -2.211) 4.942 6.195 ( -1.733 0.254 -1.598) 2.371 6.291 ( -0.525 0.187 1.012) 1.155 6.641 ( 3.567 -1.461 -2.715) 4.715 6.749 ( 0.599 -1.187 -3.401) 3.652 6.977 ( 2.881 2.397 1.193) 3.933 7.106 ( 0.783 0.596 -2.492) 2.679 7.217 ( 2.173 2.090 1.334) 3.297 7.328 ( 2.950 -3.086 -0.409) 4.288 7.526 ( -0.164 -0.035 0.536) 0.562 7.678 ( -3.353 2.545 -1.147) 4.363 7.944 ( 0.160 -0.031 -0.270) 0.315 8.033 ( -0.036 1.060 3.235) 3.404 8.217 ( -0.118 0.219 0.652) 0.697 8.538 ( -3.593 1.628 -2.433) 4.635 ======================= Grid point 14 (10/78) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 8.866 -12.188 -9.010) 17.559 1.220 ( 3.256 -13.911 -9.522) 17.169 1.638 ( 1.121 -1.295 -1.396) 2.209 1.817 ( 1.181 -0.910 2.297) 2.738 1.919 ( 4.989 -1.916 -0.718) 5.392 2.112 ( -2.628 -1.486 -5.545) 6.314 2.274 ( 1.260 -4.278 -6.941) 8.250 2.447 ( -0.588 -1.616 -2.006) 2.642 2.575 ( -0.558 0.185 -0.262) 0.644 2.748 ( -0.657 1.888 -0.550) 2.073 2.986 ( -2.044 -2.043 1.389) 3.206 3.011 ( 2.476 -2.894 -2.213) 4.405 3.274 ( -5.292 1.113 4.790) 7.224 3.454 ( 3.912 4.881 4.901) 7.946 3.745 ( -0.705 1.834 0.137) 1.969 3.978 ( 1.991 5.870 3.506) 7.121 4.091 ( -0.923 0.523 3.931) 4.071 4.221 ( -2.215 2.746 -1.373) 3.785 4.587 ( 0.160 1.718 0.754) 1.883 4.651 ( 2.100 1.460 1.514) 2.972 4.922 ( -4.577 0.406 -1.890) 4.968 5.029 ( -4.614 3.169 -0.627) 5.632 5.138 ( -3.718 0.350 -3.046) 4.819 5.325 ( -4.700 -0.868 0.901) 4.864 5.495 ( 1.685 -1.928 9.001) 9.358 5.570 ( -1.610 -0.743 -1.169) 2.124 5.762 ( 4.620 -6.183 -1.618) 7.886 5.929 ( 3.280 1.935 1.309) 4.026 6.126 ( -1.396 -2.923 -3.903) 5.073 6.313 ( 1.461 0.723 0.733) 1.787 6.542 ( 3.143 -5.457 -2.945) 6.952 6.734 ( 0.099 1.832 0.287) 1.857 6.955 ( 2.037 -1.718 -2.969) 3.990 7.118 ( 2.113 -0.322 1.418) 2.565 7.244 ( 1.771 -0.589 -1.300) 2.275 7.258 ( 1.930 -1.923 -1.709) 3.216 7.470 ( -0.412 -6.231 2.065) 6.577 7.783 ( -3.492 10.337 -0.289) 10.915 7.972 ( -0.146 4.037 -0.413) 4.061 8.100 ( 0.287 1.472 2.368) 2.803 8.247 ( 0.321 1.445 1.848) 2.367 8.523 ( -4.274 2.067 -4.068) 6.252 ======================= Grid point 15 (11/78) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 11.325 -16.554 -8.479) 21.775 0.843 ( 7.910 -17.616 -9.303) 21.434 1.349 ( 10.778 -22.518 -17.347) 30.400 1.809 ( 0.606 -0.536 -1.248) 1.487 1.891 ( 1.371 -2.052 -0.478) 2.514 1.915 ( 0.184 -3.348 -1.561) 3.699 2.225 ( 1.016 2.870 1.501) 3.394 2.527 ( -0.146 5.451 1.335) 5.614 2.606 ( -4.031 0.661 1.164) 4.248 2.767 ( 1.080 1.282 -0.875) 1.891 2.922 ( 1.260 -2.758 -0.443) 3.064 3.020 ( -1.929 0.806 1.688) 2.687 3.377 ( -7.983 2.917 3.610) 9.234 3.602 ( 7.566 3.556 5.227) 9.859 3.756 ( -2.687 1.475 -0.690) 3.142 4.064 ( -0.583 1.656 2.068) 2.713 4.145 ( -2.228 0.847 0.988) 2.580 4.222 ( 2.642 0.318 -1.721) 3.169 4.620 ( 0.106 1.830 0.471) 1.892 4.701 ( -1.618 1.916 1.293) 2.822 4.918 ( -1.605 2.452 -1.345) 3.224 5.085 ( -6.756 4.004 -0.746) 7.888 5.126 ( -1.357 4.616 -1.242) 4.969 5.333 ( -4.846 -0.378 1.224) 5.012 5.514 ( -0.625 -3.027 -1.361) 3.377 5.552 ( 2.984 -3.910 0.864) 4.994 5.715 ( 4.302 -5.247 9.897) 12.000 5.979 ( 1.821 2.374 1.045) 3.169 6.039 ( -1.413 -2.046 -2.225) 3.337 6.331 ( 2.644 0.227 0.505) 2.701 6.420 ( 1.984 -6.541 -1.200) 6.940 6.772 ( 0.859 1.465 0.542) 1.782 6.891 ( 2.291 -2.057 -1.697) 3.516 7.069 ( 2.269 -7.888 0.702) 8.238 7.189 ( 1.727 -2.752 -0.271) 3.260 7.254 ( -0.463 1.986 -0.470) 2.093 7.444 ( -1.037 0.198 -0.576) 1.203 7.923 ( -1.788 8.841 -0.100) 9.021 8.026 ( -0.722 3.902 -0.469) 3.996 8.142 ( 0.518 3.552 -1.270) 3.807 8.294 ( 0.867 1.712 0.734) 2.055 8.459 ( -5.740 -0.406 -6.761) 8.878 ======================= Grid point 16 (12/78) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 13.447 -19.660 -0.000) 23.819 0.503 ( 12.798 -18.576 -0.000) 22.558 0.793 ( 29.913 -23.548 -0.000) 38.069 1.798 ( -0.711 0.134 0.000) 0.724 1.874 ( 0.194 -0.357 -0.000) 0.406 1.888 ( 2.022 -1.018 -0.000) 2.264 2.286 ( -2.474 2.389 0.000) 3.439 2.596 ( -2.312 0.718 0.000) 2.421 2.615 ( 0.629 1.981 0.000) 2.079 2.747 ( 3.187 -2.491 -0.000) 4.045 2.925 ( -3.690 1.878 0.000) 4.141 3.054 ( -0.249 1.947 0.000) 1.963 3.448 ( -6.546 3.907 0.000) 7.623 3.631 ( 6.095 -4.710 -0.000) 7.703 3.813 ( -3.304 5.084 0.000) 6.063 4.102 ( -1.943 -0.483 0.000) 2.002 4.129 ( 0.804 0.081 -0.000) 0.808 4.206 ( 2.427 -0.906 -0.000) 2.590 4.643 ( -0.546 0.513 0.000) 0.749 4.738 ( -5.226 1.694 0.000) 5.494 4.948 ( 1.076 2.280 0.000) 2.522 5.130 ( -6.300 5.000 0.000) 8.043 5.219 ( 0.004 6.193 0.000) 6.193 5.342 ( -4.736 0.768 0.000) 4.798 5.456 ( 2.962 -3.661 -0.000) 4.710 5.481 ( 2.933 -3.744 -0.000) 4.757 5.818 ( 0.387 -0.398 -0.000) 0.555 5.999 ( 1.555 1.140 -0.000) 1.928 6.017 ( -2.663 -0.460 0.000) 2.702 6.308 ( -2.823 -4.350 -0.000) 5.185 6.358 ( 7.164 -0.986 -0.000) 7.232 6.791 ( 1.179 1.450 0.000) 1.869 6.837 ( -0.318 -4.106 -0.000) 4.118 6.977 ( 4.388 -4.336 -0.000) 6.169 7.168 ( 1.961 -1.012 -0.000) 2.206 7.278 ( -1.182 1.236 0.000) 1.710 7.445 ( -1.959 1.793 0.000) 2.656 7.999 ( -1.608 1.960 0.000) 2.536 8.064 ( -1.747 1.476 0.000) 2.287 8.173 ( -0.182 3.356 0.000) 3.361 8.314 ( 2.480 1.700 -0.000) 3.007 8.345 ( -2.974 -2.975 -0.000) 4.207 ======================= Grid point 18 (13/78) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 7.366 6.587 13.538) 16.760 1.207 ( 10.096 2.944 13.304) 16.958 1.659 ( -0.015 0.184 1.760) 1.770 1.782 ( -2.055 -0.087 -3.293) 3.883 1.903 ( 2.217 3.443 1.088) 4.237 2.135 ( 3.248 -2.318 1.268) 4.187 2.361 ( -0.417 2.067 7.736) 8.019 2.499 ( 1.763 1.409 9.452) 9.717 2.540 ( 1.263 0.523 -2.828) 3.141 2.769 ( 0.630 0.046 -1.810) 1.917 2.957 ( 0.309 -1.948 0.974) 2.200 3.035 ( 2.045 1.535 7.442) 7.869 3.213 ( -2.071 -4.910 -6.671) 8.538 3.400 ( 0.057 6.296 -7.579) 9.853 3.748 ( -0.384 -1.732 -0.800) 1.946 3.970 ( -3.765 0.841 -6.199) 7.301 4.032 ( 0.176 -1.603 -4.666) 4.937 4.266 ( -1.841 -1.709 -0.071) 2.513 4.600 ( -1.216 -1.684 -0.414) 2.118 4.656 ( -1.478 1.836 -1.037) 2.575 4.999 ( -4.757 -3.062 3.771) 6.799 5.100 ( -4.393 -4.236 0.767) 6.151 5.187 ( -1.537 -2.696 1.349) 3.384 5.319 ( -1.288 -3.270 0.344) 3.532 5.396 ( -0.186 0.304 -2.293) 2.320 5.587 ( -0.019 -1.342 1.799) 2.244 5.711 ( 6.015 4.464 3.629) 8.324 5.949 ( -2.600 3.043 -0.983) 4.122 6.115 ( 4.376 -2.103 1.946) 5.230 6.282 ( 1.693 2.933 -2.580) 4.258 6.528 ( 4.137 1.449 5.708) 7.197 6.768 ( -1.266 1.714 0.377) 2.164 6.957 ( 2.577 0.009 1.808) 3.148 7.074 ( 3.300 3.951 0.608) 5.184 7.222 ( 3.657 2.698 0.976) 4.648 7.281 ( -0.691 -0.470 -0.542) 0.996 7.345 ( 4.218 0.737 -2.138) 4.786 7.876 ( -5.775 -1.537 -3.611) 6.982 8.006 ( -0.263 -1.447 -1.035) 1.799 8.074 ( -2.024 -0.545 -4.184) 4.680 8.270 ( -3.801 -0.354 -1.076) 3.966 8.614 ( -4.481 -4.529 0.950) 6.441 ======================= Grid point 19 (14/78) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 4.191 4.068 7.349) 9.387 1.429 ( 4.409 4.373 8.768) 10.745 1.650 ( -0.993 -1.595 -1.169) 2.213 1.755 ( -1.078 2.995 -1.896) 3.705 1.970 ( 6.590 0.790 3.078) 7.316 2.155 ( 1.086 0.278 3.703) 3.869 2.320 ( -1.957 -2.373 -4.838) 5.733 2.488 ( -6.260 3.098 -3.361) 7.751 2.617 ( 0.899 -1.654 -3.910) 4.340 2.760 ( 0.121 -3.640 1.273) 3.858 3.074 ( -0.680 -0.508 -0.632) 1.059 3.119 ( 5.775 5.567 10.296) 13.052 3.196 ( 2.255 1.845 10.271) 10.676 3.388 ( 3.225 5.965 -5.187) 8.537 3.705 ( -1.253 -2.979 -0.886) 3.351 3.865 ( 0.542 -3.472 -7.034) 7.863 3.925 ( -4.259 0.731 -5.935) 7.341 4.224 ( -1.550 -2.556 -1.095) 3.184 4.567 ( -0.774 -2.283 0.231) 2.422 4.667 ( -1.107 0.437 0.036) 1.191 4.985 ( -7.441 -4.859 1.897) 9.087 5.019 ( -4.270 -7.126 0.831) 8.349 5.190 ( -1.137 0.053 0.418) 1.212 5.293 ( -1.257 -2.327 1.196) 2.903 5.381 ( -1.054 0.036 0.456) 1.149 5.570 ( -2.002 -2.912 0.824) 3.629 5.818 ( 4.658 2.972 3.579) 6.583 6.002 ( -0.316 5.104 -1.047) 5.220 6.104 ( 3.225 -1.393 0.852) 3.615 6.285 ( 0.210 1.694 -1.933) 2.579 6.641 ( 3.452 2.320 5.361) 6.785 6.810 ( 0.613 2.465 -0.439) 2.577 6.949 ( 3.296 0.941 -2.396) 4.182 7.131 ( 1.240 3.085 -1.734) 3.750 7.224 ( 3.235 -1.098 -1.309) 3.659 7.303 ( 0.247 7.437 -1.447) 7.581 7.382 ( 3.770 0.235 4.015) 5.512 7.797 ( -2.641 -3.200 -3.044) 5.146 7.968 ( 0.835 -2.023 1.291) 2.541 8.028 ( -3.964 -0.559 -2.417) 4.676 8.232 ( -1.044 -0.785 -1.781) 2.209 8.540 ( -3.619 -3.930 -1.909) 5.673 ======================= Grid point 20 (15/78) ======================= q-point: (-0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 1.239 -0.663 -1.136) 1.807 1.561 ( 1.937 2.660 2.841) 4.347 1.593 ( 0.876 -3.175 -1.317) 3.547 1.834 ( 1.073 6.044 2.112) 6.492 1.996 ( 6.025 -3.134 1.950) 7.066 2.148 ( 1.994 -4.196 -0.279) 4.654 2.299 ( -0.533 4.089 -0.629) 4.171 2.417 ( -5.048 -2.725 -6.283) 8.508 2.605 ( -2.749 3.491 2.401) 5.051 2.727 ( -0.297 -0.799 0.768) 1.148 3.042 ( -2.196 0.595 -1.683) 2.830 3.202 ( 5.356 -2.516 -4.635) 7.517 3.306 ( 1.232 0.061 3.629) 3.832 3.513 ( 4.880 -4.079 -3.455) 7.238 3.599 ( 2.172 3.227 3.395) 5.163 3.782 ( 2.365 3.202 0.004) 3.981 3.913 ( -9.109 3.275 -0.381) 9.687 4.186 ( 0.629 -1.396 0.511) 1.614 4.554 ( -0.062 -0.993 1.504) 1.803 4.669 ( -0.845 -0.599 0.447) 1.128 4.902 ( -9.697 -4.433 -3.074) 11.097 4.956 ( -3.868 -5.287 2.636) 7.061 5.179 ( -0.415 -1.152 -1.018) 1.592 5.283 ( -3.024 -0.536 -0.268) 3.082 5.418 ( -0.323 0.237 4.665) 4.683 5.550 ( -2.562 -2.298 1.905) 3.934 5.893 ( 3.557 1.783 1.470) 4.242 6.013 ( 4.716 -1.674 -0.549) 5.035 6.130 ( -1.987 3.404 -0.395) 3.961 6.283 ( 0.153 0.386 0.298) 0.511 6.695 ( 3.400 0.476 -2.290) 4.127 6.788 ( 2.206 0.243 -2.985) 3.720 6.982 ( 3.617 3.264 1.205) 5.019 7.099 ( 0.059 0.969 -4.192) 4.303 7.222 ( 2.271 2.007 -0.726) 3.116 7.386 ( 1.016 4.039 -0.392) 4.184 7.446 ( 2.551 3.479 1.671) 4.626 7.704 ( -0.250 -5.736 -0.330) 5.751 7.942 ( -4.494 -2.632 -2.674) 5.855 8.028 ( 1.208 0.801 4.662) 4.882 8.219 ( 0.563 0.061 0.171) 0.592 8.465 ( -4.282 -0.552 -3.386) 5.487 ======================= Grid point 21 (16/78) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 4.551 -6.206 -4.280) 8.806 1.456 ( 4.723 -9.472 -4.926) 11.675 1.636 ( 0.358 1.840 1.601) 2.465 1.872 ( 0.517 -3.308 -0.601) 3.402 1.999 ( 2.692 4.537 -0.261) 5.282 2.114 ( 5.375 -3.378 -1.435) 6.508 2.269 ( -1.726 1.282 0.172) 2.157 2.396 ( -5.469 0.114 0.528) 5.495 2.665 ( 1.993 0.455 -2.355) 3.118 2.754 ( 1.384 -1.951 1.793) 2.990 2.980 ( 0.643 -4.209 -5.702) 7.116 3.054 ( -2.054 -1.571 -1.154) 2.832 3.289 ( 3.993 -4.602 -3.329) 6.943 3.411 ( -0.031 3.102 2.886) 4.237 3.705 ( -0.730 4.113 -0.551) 4.213 3.917 ( 1.660 8.426 1.425) 8.705 3.980 ( -6.630 2.132 3.563) 7.823 4.212 ( 2.711 0.413 3.795) 4.682 4.577 ( 0.329 0.627 1.421) 1.588 4.663 ( -0.625 -1.206 0.431) 1.425 4.811 ( -10.230 -0.062 -3.901) 10.949 4.939 ( -3.519 -1.572 2.141) 4.409 5.132 ( 0.147 -1.735 -2.464) 3.017 5.269 ( -4.767 -0.877 0.105) 4.849 5.513 ( -0.605 1.091 6.193) 6.318 5.553 ( -2.072 -2.128 2.255) 3.729 5.885 ( 2.754 -2.726 -1.351) 4.103 5.991 ( 6.005 -0.987 1.025) 6.172 6.133 ( -1.513 -0.279 -2.566) 2.992 6.310 ( 0.840 1.434 0.941) 1.909 6.645 ( 3.435 -0.290 -3.188) 4.696 6.746 ( 2.677 -1.866 -0.933) 3.394 6.979 ( -0.762 0.196 -3.254) 3.347 7.122 ( 3.213 4.170 0.193) 5.268 7.231 ( 0.032 1.835 -2.342) 2.975 7.367 ( 4.658 -3.980 -0.596) 6.156 7.551 ( 1.331 4.253 -0.171) 4.460 7.630 ( -1.869 -3.087 2.667) 4.487 7.898 ( -3.922 2.434 -2.156) 5.095 8.110 ( 2.589 0.427 3.397) 4.293 8.227 ( -0.795 0.580 1.064) 1.449 8.431 ( -4.498 1.538 -2.804) 5.519 ======================= Grid point 22 (17/78) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 9.154 -12.074 -4.663) 15.853 1.188 ( 8.493 -15.397 -5.510) 18.427 1.647 ( 2.419 -3.307 -0.590) 4.140 1.823 ( -1.498 -1.340 -1.291) 2.389 1.960 ( -2.099 -5.846 -2.696) 6.771 2.082 ( 12.204 -5.239 1.429) 13.358 2.254 ( 6.313 -2.027 -4.964) 8.282 2.416 ( -5.366 4.378 2.319) 7.303 2.549 ( 3.361 1.920 -4.127) 5.658 2.764 ( 0.800 -0.185 1.377) 1.603 2.950 ( -4.782 -0.988 0.703) 4.934 3.023 ( 0.048 -3.175 0.877) 3.295 3.248 ( -3.314 1.838 0.181) 3.794 3.537 ( -1.088 7.376 2.487) 7.860 3.751 ( 0.829 3.326 -0.061) 3.429 3.996 ( -4.992 2.716 0.118) 5.684 4.064 ( -0.639 3.506 1.180) 3.754 4.274 ( 3.047 -0.399 3.106) 4.370 4.600 ( -0.266 0.519 0.623) 0.853 4.645 ( -4.437 -0.641 -0.807) 4.555 4.810 ( -6.059 5.657 -1.762) 8.474 4.978 ( -1.325 2.085 2.129) 3.261 5.072 ( -0.139 0.118 -3.033) 3.039 5.264 ( -5.681 -0.891 0.863) 5.815 5.538 ( -0.860 -2.010 -0.192) 2.195 5.596 ( -0.987 -0.481 2.974) 3.170 5.840 ( 3.792 -3.835 3.470) 6.413 6.001 ( 3.315 -0.006 0.938) 3.445 6.071 ( 1.445 -2.076 -2.490) 3.549 6.333 ( 0.357 0.877 -0.423) 1.037 6.565 ( 3.667 -6.013 -0.668) 7.075 6.759 ( 0.857 2.006 1.433) 2.610 6.932 ( -0.077 -0.350 -3.109) 3.130 7.167 ( 2.268 0.360 0.289) 2.314 7.214 ( -0.536 1.529 -2.052) 2.615 7.294 ( 4.775 -5.111 0.406) 7.006 7.464 ( 0.182 -5.539 -2.912) 6.260 7.774 ( -1.326 8.428 4.333) 9.568 7.932 ( -3.164 5.246 -1.554) 6.320 8.126 ( 0.993 0.851 -1.238) 1.801 8.270 ( -0.310 1.947 1.013) 2.217 8.405 ( -3.947 -1.054 -1.703) 4.426 ======================= Grid point 23 (18/78) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 11.575 -18.567 -0.000) 21.879 0.923 ( 12.187 -14.758 -0.000) 19.139 1.465 ( 18.086 -16.564 -0.000) 24.525 1.794 ( -1.331 -0.920 0.000) 1.618 1.875 ( -0.666 -1.633 -0.000) 1.764 1.992 ( 10.887 -4.358 -0.000) 11.727 2.239 ( -0.861 0.507 0.000) 0.999 2.519 ( -2.715 5.095 0.000) 5.773 2.585 ( 1.970 4.976 0.000) 5.352 2.766 ( -1.656 -0.355 0.000) 1.694 2.914 ( -1.287 -3.576 -0.000) 3.800 3.021 ( -0.493 1.554 0.000) 1.631 3.295 ( -5.702 3.590 0.000) 6.738 3.661 ( -4.867 6.325 0.000) 7.981 3.774 ( 4.829 -1.372 -0.000) 5.021 4.030 ( -6.607 1.769 0.000) 6.840 4.113 ( 0.807 3.254 0.000) 3.353 4.268 ( 1.387 -2.892 -0.000) 3.208 4.621 ( -1.120 1.510 0.000) 1.880 4.628 ( -6.936 -0.350 0.000) 6.944 4.906 ( -0.975 8.430 0.000) 8.486 4.999 ( -1.290 -0.512 0.000) 1.388 5.115 ( 0.124 8.164 0.000) 8.165 5.261 ( -5.707 -0.375 0.000) 5.719 5.505 ( 0.506 -1.638 -0.000) 1.714 5.585 ( 1.608 -2.886 -0.000) 3.303 5.850 ( 2.028 -1.789 -0.000) 2.704 6.003 ( -0.721 -1.206 -0.000) 1.406 6.030 ( 3.803 -0.465 -0.000) 3.832 6.317 ( -2.125 -2.413 -0.000) 3.215 6.491 ( 5.504 -3.670 -0.000) 6.616 6.792 ( 0.510 0.750 0.000) 0.907 6.887 ( -0.537 -2.586 -0.000) 2.641 7.118 ( 4.395 -5.338 -0.000) 6.914 7.232 ( -0.946 1.079 0.000) 1.435 7.250 ( 4.484 -2.525 -0.000) 5.147 7.388 ( -2.045 0.484 0.000) 2.101 7.913 ( -3.751 4.415 0.000) 5.793 7.996 ( -1.814 4.683 0.000) 5.022 8.127 ( -1.094 1.593 0.000) 1.932 8.301 ( 1.646 3.174 0.000) 3.575 8.358 ( -2.489 -3.395 -0.000) 4.210 ======================= Grid point 24 (19/78) ======================= q-point: (-0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 12.428 -12.304 10.206) 20.248 0.831 ( 17.233 -8.061 10.980) 21.966 1.372 ( 22.151 -9.875 15.347) 28.701 1.796 ( -0.758 -0.467 1.633) 1.860 1.871 ( -0.266 0.371 -0.712) 0.845 1.958 ( 8.303 -2.424 2.478) 8.998 2.226 ( -2.625 -0.914 -1.284) 3.062 2.536 ( -3.051 0.035 -1.671) 3.479 2.636 ( 1.663 2.514 -2.068) 3.655 2.796 ( 0.510 1.511 2.977) 3.378 2.863 ( -2.644 -2.619 -0.533) 3.760 3.036 ( -0.368 2.513 -2.599) 3.634 3.344 ( -4.072 5.791 -2.919) 7.658 3.644 ( -0.750 -7.049 -2.592) 7.548 3.762 ( -1.020 3.968 -2.549) 4.825 4.037 ( -4.685 1.315 -1.276) 5.030 4.130 ( -0.189 -0.283 -2.755) 2.776 4.254 ( 0.674 -0.719 3.144) 3.295 4.618 ( -2.801 -0.189 0.033) 2.808 4.652 ( -4.806 2.057 -0.735) 5.280 4.968 ( 1.238 0.445 0.274) 1.344 5.051 ( -4.765 5.443 0.001) 7.234 5.217 ( -0.306 3.417 -0.031) 3.431 5.292 ( -2.194 5.814 1.150) 6.319 5.486 ( 1.496 -1.052 -1.033) 2.100 5.549 ( 3.768 -2.342 1.589) 4.712 5.711 ( 4.905 -4.351 -10.849) 12.676 5.975 ( -1.841 -1.751 -0.077) 2.542 6.059 ( 2.853 1.740 1.430) 3.635 6.280 ( -1.313 -3.637 2.024) 4.365 6.448 ( 5.724 -1.339 -0.872) 5.942 6.809 ( -0.227 0.051 1.196) 1.218 6.844 ( 0.840 -3.529 1.188) 3.818 7.065 ( 6.999 -1.995 0.087) 7.278 7.184 ( 2.277 -1.788 -1.779) 3.398 7.252 ( -2.287 0.506 0.324) 2.364 7.449 ( 0.092 1.052 1.529) 1.858 7.955 ( -6.068 2.553 1.550) 6.763 8.008 ( -4.133 -0.246 -1.843) 4.532 8.155 ( -3.904 -0.134 1.089) 4.055 8.304 ( -1.190 -2.107 -1.694) 2.954 8.443 ( -0.336 6.794 8.139) 10.607 ======================= Grid point 26 (20/78) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 4.651 3.220 6.527) 8.637 1.453 ( 4.137 1.750 5.687) 7.248 1.601 ( -5.096 1.147 -3.890) 6.513 1.733 ( 1.396 0.537 -1.123) 1.870 1.993 ( 4.219 3.985 4.605) 7.409 2.165 ( -7.507 0.989 -0.924) 7.628 2.302 ( 3.739 -2.386 0.187) 4.439 2.453 ( -0.534 -1.500 -4.659) 4.924 2.650 ( 1.060 -1.330 -2.197) 2.779 2.810 ( 0.113 -2.700 2.120) 3.435 3.084 ( 0.350 -0.641 -1.865) 2.003 3.125 ( 0.032 0.910 8.101) 8.152 3.227 ( 6.237 1.732 9.398) 11.411 3.341 ( 4.496 6.069 -1.073) 7.629 3.671 ( -8.645 1.524 -5.591) 10.408 3.794 ( -2.147 -0.968 -5.879) 6.333 3.988 ( 1.934 -2.634 -3.432) 4.739 4.244 ( -0.423 -1.914 0.022) 1.960 4.573 ( -2.964 -0.963 0.172) 3.121 4.613 ( -1.402 1.592 -0.740) 2.247 4.973 ( -3.235 -3.895 1.295) 5.227 5.078 ( -2.208 -5.754 1.794) 6.418 5.190 ( -0.011 -1.599 0.421) 1.654 5.297 ( -1.392 -0.471 0.031) 1.470 5.384 ( -0.096 -1.896 0.617) 1.996 5.600 ( -0.938 -3.607 1.374) 3.973 5.808 ( 1.436 5.258 0.992) 5.540 5.915 ( 0.207 3.721 -0.535) 3.765 6.193 ( 2.379 -2.429 -0.004) 3.400 6.270 ( 1.455 0.997 -0.183) 1.773 6.649 ( 1.744 2.566 2.964) 4.291 6.783 ( 0.761 1.205 2.086) 2.526 6.958 ( 0.190 2.452 -4.502) 5.130 7.111 ( 2.451 1.644 0.156) 2.955 7.208 ( -0.669 2.893 -2.778) 4.066 7.299 ( 1.608 -0.196 0.363) 1.660 7.455 ( 7.219 0.359 2.275) 7.577 7.764 ( -4.636 -0.166 -0.353) 4.652 7.967 ( -4.386 -0.830 -1.446) 4.692 8.011 ( 0.177 -0.951 -0.612) 1.145 8.214 ( -0.962 -0.212 -0.984) 1.393 8.566 ( -1.317 -3.511 -1.553) 4.059 ======================= Grid point 27 (21/78) ======================= q-point: ( 0.25 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -1.291 2.674 -1.684) 3.414 1.540 ( -1.531 1.140 -1.254) 2.284 1.592 ( -0.393 2.263 1.342) 2.660 1.758 ( 2.284 4.083 0.556) 4.712 2.089 ( -4.642 2.201 0.860) 5.208 2.207 ( 1.241 -4.793 0.357) 4.964 2.245 ( 0.544 3.462 1.170) 3.695 2.401 ( 4.956 -0.651 -1.602) 5.249 2.584 ( 0.384 -0.718 -1.388) 1.609 2.767 ( -1.105 -5.785 1.398) 6.053 3.009 ( -0.614 0.296 -3.356) 3.425 3.236 ( -2.654 2.397 -1.555) 3.900 3.348 ( 5.354 0.935 3.854) 6.663 3.504 ( 1.510 6.001 4.781) 7.820 3.640 ( -6.319 5.610 -4.168) 9.422 3.690 ( 2.175 -3.205 -3.972) 5.547 3.896 ( 3.268 -4.089 0.794) 5.294 4.225 ( 0.886 -1.986 1.613) 2.708 4.562 ( -0.963 -0.768 0.426) 1.303 4.617 ( -3.742 0.919 -1.220) 4.042 4.900 ( -4.106 -8.062 0.202) 9.049 5.007 ( -2.462 -6.961 2.410) 7.767 5.183 ( -0.482 -0.388 -0.115) 0.629 5.268 ( -1.634 -2.583 -1.101) 3.248 5.403 ( -0.458 0.425 3.483) 3.539 5.571 ( -1.399 -3.869 2.674) 4.907 5.884 ( -0.628 3.835 0.244) 3.894 5.988 ( 0.917 6.310 0.150) 6.378 6.141 ( 1.436 -2.469 -1.215) 3.104 6.292 ( 1.850 0.103 1.196) 2.205 6.701 ( -0.819 2.793 -2.930) 4.130 6.799 ( 2.365 1.359 -1.386) 3.060 6.972 ( 2.477 4.962 -0.257) 5.552 7.096 ( 0.897 -0.188 -4.401) 4.496 7.207 ( 0.689 2.699 -1.949) 3.400 7.321 ( 1.208 3.730 -0.099) 3.922 7.501 ( 5.167 0.305 2.457) 5.730 7.765 ( -0.972 -2.504 1.806) 3.237 7.903 ( -5.066 -3.033 -3.021) 6.632 8.030 ( 0.454 0.755 3.388) 3.500 8.215 ( 0.492 1.285 0.554) 1.483 8.466 ( -0.837 -4.526 -3.610) 5.849 ======================= Grid point 28 (22/78) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.371 -0.242 -1.690) 1.747 1.528 ( -1.940 2.368 -2.828) 4.168 1.629 ( 0.926 0.297 1.106) 1.473 1.837 ( 1.087 5.957 -1.992) 6.375 2.033 ( -1.224 -2.277 -8.024) 8.430 2.135 ( -3.509 -0.298 0.821) 3.616 2.331 ( 5.805 -5.261 3.471) 8.569 2.380 ( 1.427 -1.159 5.055) 5.379 2.634 ( 1.062 4.301 2.695) 5.186 2.739 ( -2.385 -0.949 2.873) 3.852 2.989 ( -1.532 1.225 -1.501) 2.470 3.154 ( 2.945 -2.904 -9.232) 10.116 3.355 ( -0.534 -2.025 -1.175) 2.401 3.509 ( 7.400 -7.595 -5.894) 12.132 3.543 ( -8.522 7.028 -5.670) 12.417 3.791 ( -0.349 5.534 6.617) 8.633 3.954 ( 3.952 2.213 5.485) 7.113 4.245 ( 1.194 -0.698 3.918) 4.155 4.566 ( -0.286 0.530 0.218) 0.640 4.615 ( -5.103 2.080 -1.507) 5.713 4.763 ( -3.802 -9.013 -1.094) 9.843 4.958 ( -1.854 -5.420 2.995) 6.464 5.162 ( 0.096 -1.459 -1.136) 1.851 5.221 ( -3.405 -1.014 -1.263) 3.771 5.476 ( -0.662 1.539 4.228) 4.548 5.570 ( -1.470 -3.223 3.651) 5.087 5.915 ( 0.349 1.781 -1.501) 2.355 6.079 ( 1.333 2.180 1.902) 3.186 6.094 ( 0.518 -0.406 -1.439) 1.582 6.309 ( 1.508 0.556 0.909) 1.847 6.662 ( 1.686 2.761 -5.118) 6.055 6.812 ( 2.707 0.772 -0.686) 2.898 6.948 ( -2.895 -1.831 -5.426) 6.416 7.107 ( 3.766 4.481 1.079) 5.952 7.212 ( 1.358 2.217 -2.934) 3.920 7.409 ( -0.008 7.059 1.448) 7.206 7.515 ( 4.695 -2.015 0.944) 5.196 7.743 ( 1.297 -5.329 3.022) 6.262 7.804 ( -5.952 -1.890 -4.035) 7.435 8.120 ( 0.754 2.864 3.507) 4.591 8.232 ( 0.829 -1.630 0.429) 1.878 8.371 ( -1.826 -0.575 -2.344) 3.026 ======================= Grid point 30 (23/78) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 3.956 -5.530 -1.639) 6.994 1.474 ( 5.078 -6.457 -2.496) 8.585 1.647 ( -0.832 1.174 0.243) 1.459 1.818 ( 0.589 0.263 -4.073) 4.124 1.949 ( -5.170 1.219 -3.880) 6.578 2.177 ( 2.506 2.253 2.383) 4.127 2.295 ( -4.398 -2.452 2.882) 5.801 2.442 ( 9.301 -1.794 4.912) 10.671 2.683 ( 4.988 -1.888 -2.491) 5.886 2.803 ( -2.033 0.000 3.489) 4.038 2.914 ( 5.273 -4.834 -6.848) 9.903 3.014 ( -3.458 -0.107 0.964) 3.592 3.257 ( 0.758 -2.800 -5.698) 6.394 3.439 ( -2.235 3.193 0.476) 3.926 3.585 ( -7.014 7.900 -3.317) 11.073 3.931 ( -0.734 0.899 5.762) 5.878 4.041 ( 3.773 3.491 0.417) 5.157 4.303 ( -0.103 -0.408 3.777) 3.800 4.576 ( -1.820 0.776 -0.381) 2.015 4.627 ( -5.032 -2.633 -1.908) 5.991 4.654 ( -1.718 1.823 -0.065) 2.506 4.949 ( -0.711 -0.544 2.147) 2.326 5.112 ( 1.718 -2.222 -1.760) 3.314 5.202 ( -4.473 -0.624 0.028) 4.516 5.547 ( -0.462 0.171 1.786) 1.853 5.574 ( -1.859 -1.200 2.394) 3.260 5.909 ( 1.246 -0.721 0.475) 1.516 6.047 ( 1.258 -0.525 -1.963) 2.390 6.129 ( 3.050 -0.802 1.644) 3.557 6.329 ( 0.929 1.061 -0.450) 1.480 6.652 ( 0.984 -0.232 -0.365) 1.075 6.775 ( 3.036 -1.773 -1.001) 3.656 6.884 ( -3.890 2.118 -3.785) 5.826 7.167 ( 2.241 2.721 0.012) 3.525 7.192 ( 0.661 1.165 -2.280) 2.644 7.455 ( 5.722 -5.499 1.508) 8.079 7.538 ( 0.331 2.427 -1.353) 2.798 7.695 ( 0.314 -3.206 4.334) 5.400 7.792 ( -5.419 4.973 -1.863) 7.587 8.127 ( -0.233 0.312 -4.257) 4.275 8.249 ( 0.431 0.374 3.408) 3.456 8.369 ( -1.591 0.505 0.094) 1.672 ======================= Grid point 31 (24/78) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 7.558 -11.193 -0.000) 13.506 1.299 ( 11.101 -12.805 -0.000) 16.947 1.668 ( -0.046 0.421 0.000) 0.423 1.779 ( -1.010 -1.401 -0.000) 1.727 1.901 ( -3.656 -3.426 0.000) 5.010 2.216 ( -1.508 0.145 0.000) 1.515 2.375 ( 3.683 4.040 0.000) 5.467 2.414 ( 16.532 -5.626 -0.000) 17.463 2.575 ( 5.845 0.851 -0.000) 5.907 2.783 ( -0.269 -4.390 -0.000) 4.398 2.881 ( -4.574 1.025 0.000) 4.687 3.018 ( -2.488 -2.216 0.000) 3.332 3.203 ( -1.516 2.092 0.000) 2.583 3.517 ( -3.481 5.315 0.000) 6.354 3.688 ( -8.201 9.262 0.000) 12.371 3.971 ( -0.025 -1.453 -0.000) 1.453 4.080 ( 0.566 2.294 0.000) 2.363 4.309 ( -1.452 -2.703 -0.000) 3.068 4.555 ( -4.116 -1.881 0.000) 4.526 4.595 ( -1.502 0.184 0.000) 1.513 4.741 ( -1.781 8.705 0.000) 8.885 5.007 ( -0.750 5.339 0.000) 5.391 5.061 ( 4.262 -1.888 -0.000) 4.661 5.196 ( -4.128 -0.371 0.000) 4.144 5.531 ( -0.075 -1.906 -0.000) 1.908 5.602 ( -0.357 0.893 0.000) 0.961 5.905 ( 1.333 -1.521 -0.000) 2.023 6.020 ( -0.094 -1.530 -0.000) 1.533 6.119 ( 5.111 -1.750 -0.000) 5.402 6.324 ( -0.286 -0.912 -0.000) 0.956 6.605 ( 1.823 -4.617 -0.000) 4.964 6.780 ( 0.327 1.103 0.000) 1.151 6.876 ( -2.343 1.259 0.000) 2.660 7.192 ( 0.765 0.693 -0.000) 1.032 7.195 ( -0.671 1.160 0.000) 1.340 7.388 ( 4.374 -6.525 -0.000) 7.856 7.446 ( 4.235 -6.125 -0.000) 7.446 7.779 ( -5.201 4.602 0.000) 6.945 7.877 ( -1.858 7.994 0.000) 8.207 8.093 ( -1.780 0.236 0.000) 1.795 8.287 ( 1.445 1.823 0.000) 2.327 8.363 ( -1.792 -1.681 0.000) 2.457 ======================= Grid point 32 (25/78) ======================= q-point: (-0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 9.800 -14.634 5.111) 18.339 1.184 ( 13.915 -8.961 6.503) 17.783 1.645 ( 3.465 -2.659 0.534) 4.400 1.795 ( -0.547 -0.464 3.090) 3.173 1.864 ( -1.317 -1.924 0.337) 2.356 2.176 ( 3.363 -2.967 -1.699) 4.796 2.297 ( 12.611 -5.564 4.525) 14.508 2.494 ( 2.521 4.303 -0.480) 5.011 2.634 ( 2.584 0.776 -1.006) 2.880 2.727 ( -2.294 0.430 2.114) 3.149 2.883 ( -3.518 -1.738 0.496) 3.955 2.986 ( -0.842 1.857 -2.595) 3.300 3.260 ( 0.538 2.483 1.050) 2.749 3.582 ( -5.591 4.312 -0.123) 7.062 3.763 ( -2.709 -0.517 -2.561) 3.763 3.929 ( -5.847 1.302 -2.564) 6.516 4.102 ( -2.063 1.209 -1.668) 2.916 4.266 ( -0.289 -1.222 0.288) 1.289 4.552 ( -3.595 0.394 0.616) 3.669 4.595 ( -2.446 -0.095 0.056) 2.449 4.885 ( -1.160 10.057 -0.034) 10.124 5.007 ( 1.958 -0.089 -1.532) 2.488 5.146 ( 2.204 7.183 1.687) 7.701 5.198 ( -2.862 1.235 0.505) 3.158 5.506 ( -0.098 -0.860 -1.152) 1.441 5.602 ( 1.605 0.677 -0.993) 2.006 5.829 ( 2.909 -4.267 -4.855) 7.088 6.001 ( -0.040 -3.063 1.382) 3.361 6.094 ( 3.540 -0.205 -0.434) 3.573 6.313 ( -0.845 -2.846 2.665) 3.990 6.543 ( 2.883 -3.260 -0.690) 4.407 6.797 ( -0.059 0.866 1.311) 1.572 6.902 ( -0.445 -2.028 2.581) 3.312 7.176 ( 2.535 -2.525 -0.408) 3.602 7.199 ( -3.274 -0.542 -0.907) 3.440 7.269 ( 2.213 -4.773 -0.669) 5.303 7.463 ( 4.466 -0.091 4.777) 6.540 7.824 ( -4.919 4.792 -1.686) 7.072 7.942 ( -3.639 2.372 -1.948) 4.760 8.115 ( -2.394 -0.790 1.106) 2.753 8.314 ( -1.364 -1.060 -2.209) 2.805 8.361 ( 0.590 4.723 3.742) 6.055 ======================= Grid point 33 (26/78) ======================= q-point: (-0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 10.809 -6.101 11.263) 16.760 1.222 ( 13.735 -3.771 10.421) 17.648 1.633 ( 1.231 -0.926 1.096) 1.891 1.810 ( -1.359 -0.871 -0.660) 1.744 1.861 ( 1.237 -0.281 1.433) 1.914 2.144 ( 2.518 -0.675 1.424) 2.971 2.338 ( 6.209 -3.173 7.789) 10.454 2.490 ( 4.359 -4.052 2.289) 6.376 2.594 ( -0.690 1.447 -3.102) 3.491 2.800 ( -1.876 -0.195 0.633) 1.990 2.892 ( 1.884 2.014 4.122) 4.959 2.988 ( 0.138 2.289 -1.961) 3.018 3.275 ( 1.597 2.501 -3.549) 4.626 3.557 ( -3.829 -7.936 -4.734) 10.002 3.709 ( -2.150 4.418 -1.137) 5.044 3.917 ( -6.978 1.373 -3.674) 8.005 4.066 ( -2.797 0.055 -2.800) 3.958 4.285 ( -0.618 0.542 0.750) 1.113 4.561 ( -2.857 1.490 -1.222) 3.446 4.604 ( -2.359 -0.156 1.049) 2.586 4.972 ( -0.189 2.687 -1.223) 2.958 5.024 ( -0.292 2.540 1.923) 3.199 5.205 ( -1.152 2.166 0.164) 2.459 5.307 ( 0.600 7.759 1.123) 7.863 5.449 ( 0.621 -0.999 -5.426) 5.552 5.601 ( 2.122 0.847 -0.656) 2.377 5.707 ( 4.736 -4.272 -0.266) 6.383 5.954 ( -1.439 -4.267 0.102) 4.505 6.121 ( 2.792 2.074 1.558) 3.811 6.326 ( 0.299 -2.388 3.254) 4.047 6.503 ( 3.652 -1.229 0.790) 3.934 6.812 ( -0.893 -3.433 0.611) 3.599 6.901 ( 2.257 -0.200 2.580) 3.434 7.133 ( 0.070 -2.101 -0.712) 2.219 7.178 ( 0.823 0.096 0.620) 1.035 7.248 ( 0.010 -1.025 1.615) 1.912 7.494 ( 5.523 -0.357 -0.948) 5.615 7.871 ( -7.033 0.515 -1.167) 7.148 7.923 ( -3.414 1.381 -0.418) 3.706 8.103 ( -3.386 0.042 -1.078) 3.554 8.252 ( -0.994 -1.317 -2.647) 3.119 8.514 ( -2.124 4.988 4.567) 7.088 ======================= Grid point 36 (27/78) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -7.517 3.041 -8.627) 11.839 1.477 ( -5.755 1.203 -4.345) 7.311 1.586 ( 3.542 1.508 3.575) 5.253 1.761 ( 1.654 0.877 1.459) 2.374 1.961 ( -7.377 0.607 -3.239) 8.080 2.162 ( 2.464 3.690 2.845) 5.271 2.310 ( 0.614 -1.208 -0.742) 1.544 2.500 ( 6.359 0.712 1.701) 6.621 2.629 ( 1.295 -2.918 -2.076) 3.808 2.825 ( -2.740 -4.385 2.560) 5.770 3.007 ( -0.690 0.105 -5.638) 5.681 3.107 ( -8.408 2.750 -7.484) 11.587 3.289 ( -6.074 1.358 1.711) 6.455 3.434 ( 1.717 7.608 2.917) 8.327 3.624 ( 7.572 -1.000 5.109) 9.189 3.771 ( 2.843 -2.641 1.886) 4.315 3.997 ( 3.425 -1.961 -0.428) 3.970 4.262 ( 1.250 -0.903 1.196) 1.952 4.538 ( -1.836 -0.738 0.856) 2.156 4.598 ( 0.887 0.166 -1.199) 1.501 4.958 ( -0.823 -3.934 0.856) 4.109 5.060 ( -1.200 -3.547 -1.141) 3.915 5.195 ( 0.534 -1.630 -0.197) 1.727 5.306 ( -1.019 -4.432 2.892) 5.389 5.396 ( -0.040 0.114 1.602) 1.606 5.606 ( -1.203 -3.158 1.464) 3.683 5.781 ( -3.317 4.146 -1.295) 5.465 5.933 ( 2.048 5.008 -0.359) 5.422 6.175 ( -1.429 -2.381 -1.579) 3.194 6.323 ( 1.921 0.475 1.700) 2.609 6.613 ( -3.992 2.542 -4.689) 6.662 6.807 ( 0.910 2.557 -0.541) 2.767 6.934 ( 1.265 2.022 -0.384) 2.415 7.121 ( 1.593 0.375 -2.611) 3.082 7.185 ( 0.440 1.061 0.152) 1.158 7.291 ( -0.781 1.326 -2.079) 2.587 7.542 ( -0.924 0.264 1.371) 1.675 7.758 ( 1.377 1.133 3.503) 3.931 7.906 ( 0.023 -2.216 -1.440) 2.643 8.037 ( 1.913 0.190 1.940) 2.731 8.214 ( 0.582 0.112 0.924) 1.098 8.536 ( 1.294 -3.803 -2.619) 4.795 ======================= Grid point 37 (28/78) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -8.380 8.613 -6.262) 13.551 1.432 ( -6.728 3.551 -5.309) 9.277 1.639 ( 1.042 0.416 1.643) 1.989 1.804 ( 1.820 2.112 1.019) 2.968 1.924 ( -5.328 2.451 -5.782) 8.235 2.179 ( 0.092 -0.297 -1.368) 1.403 2.360 ( 0.057 -0.396 4.820) 4.836 2.516 ( 5.155 -2.927 3.705) 6.991 2.597 ( 1.455 2.498 -0.345) 2.912 2.777 ( -1.422 -6.331 2.693) 7.025 2.964 ( -0.859 1.716 -2.369) 3.049 3.019 ( -11.454 5.349 -11.075) 16.807 3.329 ( -5.960 1.411 -2.051) 6.459 3.495 ( 6.962 -3.337 -0.385) 7.730 3.677 ( 2.689 1.587 2.548) 4.030 3.785 ( 7.301 -1.300 3.303) 8.118 4.003 ( 5.102 0.320 3.835) 6.390 4.265 ( -0.059 -1.243 1.614) 2.037 4.542 ( -1.625 0.123 0.078) 1.631 4.574 ( 1.279 -0.237 -1.383) 1.899 4.876 ( -0.689 -9.447 0.619) 9.492 5.007 ( -1.744 -3.750 1.726) 4.481 5.173 ( -0.057 -0.725 -0.457) 0.858 5.222 ( -1.962 -5.415 -1.867) 6.054 5.460 ( 0.252 0.681 4.152) 4.215 5.595 ( -1.372 -2.901 2.846) 4.289 5.840 ( -3.471 4.892 0.082) 5.999 6.013 ( 0.926 5.701 -0.111) 5.777 6.124 ( -1.208 -1.750 -0.679) 2.232 6.333 ( 1.631 0.244 -0.693) 1.788 6.597 ( -2.680 4.531 -3.970) 6.593 6.817 ( 1.519 0.982 -1.787) 2.543 6.948 ( -1.187 0.450 -3.094) 3.345 7.113 ( 4.731 2.750 0.819) 5.533 7.197 ( 0.375 1.694 -1.041) 2.023 7.309 ( -1.510 4.534 -1.009) 4.884 7.563 ( -1.432 0.938 -0.196) 1.723 7.763 ( -0.021 -5.074 0.163) 5.077 7.865 ( 2.813 -2.294 0.903) 3.740 8.082 ( 0.779 2.092 2.379) 3.262 8.255 ( 1.512 1.210 2.422) 3.101 8.414 ( 0.833 -5.380 -3.907) 6.701 ======================= Grid point 38 (29/78) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -6.316 6.882 -2.010) 9.555 1.450 ( -5.158 7.006 -2.539) 9.063 1.649 ( 0.995 -0.977 0.411) 1.454 1.832 ( -2.930 2.136 -2.211) 4.247 1.861 ( 2.984 1.530 -5.343) 6.308 2.171 ( 2.536 0.562 1.157) 2.844 2.367 ( -2.873 -9.430 4.164) 10.701 2.532 ( -0.966 -0.372 4.464) 4.582 2.681 ( 0.600 4.507 1.225) 4.709 2.761 ( 0.700 -0.291 1.792) 1.946 2.943 ( -6.162 4.746 -6.491) 10.131 2.989 ( -4.866 2.260 -0.655) 5.405 3.236 ( 1.118 -1.064 -7.808) 7.959 3.460 ( 2.614 -3.857 0.079) 4.660 3.583 ( 7.926 -6.877 -1.822) 10.651 3.912 ( 0.867 2.316 7.055) 7.476 4.060 ( 4.064 1.833 0.375) 4.474 4.287 ( -1.364 0.453 2.168) 2.601 4.539 ( -0.535 1.728 -1.381) 2.276 4.572 ( 1.025 0.764 0.046) 1.279 4.735 ( -0.399 -9.354 0.005) 9.362 4.981 ( -0.372 -4.436 2.225) 4.977 5.143 ( -3.016 -0.725 -1.895) 3.635 5.161 ( 0.109 -0.834 -0.139) 0.853 5.521 ( -0.066 1.595 2.051) 2.598 5.591 ( -0.976 -2.731 1.866) 3.448 5.902 ( -0.754 2.105 1.003) 2.451 6.042 ( -0.283 1.822 -2.817) 3.367 6.145 ( -0.991 1.098 2.983) 3.330 6.329 ( 0.961 1.103 -1.026) 1.787 6.623 ( -0.435 4.097 -1.205) 4.292 6.801 ( -1.119 1.204 -1.998) 2.587 6.871 ( 1.828 -3.226 -2.898) 4.706 7.169 ( 2.743 1.695 0.498) 3.263 7.196 ( 1.041 0.483 -1.482) 1.874 7.410 ( -2.766 8.199 1.862) 8.851 7.559 ( -2.374 1.657 -2.512) 3.833 7.695 ( 1.117 -3.421 0.612) 3.650 7.827 ( 2.633 -7.045 2.470) 7.916 8.112 ( 0.365 1.336 -3.590) 3.848 8.277 ( 0.936 -2.438 2.462) 3.589 8.347 ( 0.021 0.974 -0.068) 0.977 ======================= Grid point 39 (30/78) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.000 -0.000 -0.000) 0.000 1.500 ( 0.000 -0.000 -0.000) 0.000 1.636 ( 0.000 -0.000 -0.000) 0.000 1.812 ( 0.000 -0.000 -0.000) 0.000 1.846 ( 0.000 -0.000 -0.000) 0.000 2.217 ( 0.000 -0.000 -0.000) 0.000 2.281 ( 0.000 0.000 -0.000) 0.000 2.584 ( -0.000 -0.000 -0.000) 0.000 2.715 ( 0.000 -0.000 -0.000) 0.000 2.786 ( 0.000 0.000 -0.000) 0.000 2.948 ( 0.000 -0.000 -0.000) 0.000 2.994 ( 0.000 -0.000 -0.000) 0.000 3.168 ( -0.000 0.000 0.000) 0.000 3.385 ( 0.000 -0.000 -0.000) 0.000 3.537 ( 0.000 -0.000 -0.000) 0.000 3.987 ( 0.000 -0.000 -0.000) 0.000 4.069 ( 0.000 -0.000 -0.000) 0.000 4.314 ( 0.000 -0.000 -0.000) 0.000 4.552 ( 0.000 -0.000 -0.000) 0.000 4.580 ( 0.000 0.000 -0.000) 0.000 4.653 ( 0.000 -0.000 -0.000) 0.000 4.960 ( 0.000 -0.000 -0.000) 0.000 5.127 ( -0.000 -0.000 0.000) 0.000 5.155 ( 0.000 -0.000 -0.000) 0.000 5.556 ( 0.000 -0.000 -0.000) 0.000 5.577 ( 0.000 0.000 0.000) 0.000 5.925 ( 0.000 -0.000 -0.000) 0.000 6.032 ( 0.000 -0.000 -0.000) 0.000 6.178 ( 0.000 -0.000 -0.000) 0.000 6.329 ( 0.000 -0.000 -0.000) 0.000 6.656 ( 0.000 -0.000 -0.000) 0.000 6.802 ( 0.000 -0.000 -0.000) 0.000 6.809 ( -0.000 0.000 0.000) 0.000 7.182 ( 0.000 -0.000 -0.000) 0.000 7.183 ( 0.000 0.000 -0.000) 0.000 7.516 ( 0.000 -0.000 -0.000) 0.000 7.547 ( 0.000 -0.000 -0.000) 0.000 7.688 ( -0.000 -0.000 0.000) 0.000 7.763 ( 0.000 -0.000 -0.000) 0.000 8.077 ( 0.000 -0.000 -0.000) 0.000 8.286 ( 0.000 -0.000 -0.000) 0.000 8.361 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 78 (31/78) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 14.325 6.942 10.861) 19.271 1.123 ( 8.957 11.834 10.840) 18.379 1.629 ( 2.797 2.506 3.755) 5.311 1.815 ( -0.145 -0.041 -0.999) 1.010 1.923 ( 5.316 -1.240 2.514) 6.010 2.066 ( 1.285 6.979 5.003) 8.682 2.301 ( 5.553 7.622 9.725) 13.547 2.457 ( -5.572 -2.246 -2.999) 6.715 2.591 ( 0.648 1.881 -1.005) 2.229 2.778 ( -3.848 -1.221 0.589) 4.080 2.914 ( 2.512 -1.924 -0.690) 3.239 2.986 ( 1.480 -0.809 1.238) 2.093 3.242 ( -1.905 -1.754 -3.900) 4.681 3.595 ( -4.596 4.345 -5.712) 8.522 3.711 ( 1.758 -3.798 -1.599) 4.480 4.004 ( 0.128 -4.852 -2.492) 5.456 4.084 ( -1.747 -0.880 -2.989) 3.572 4.254 ( -2.823 0.364 -0.816) 2.961 4.592 ( -0.684 -2.117 -1.511) 2.689 4.656 ( 0.312 -3.160 0.892) 3.298 4.921 ( -5.609 -1.935 1.285) 6.070 5.005 ( -4.240 -4.737 0.592) 6.385 5.151 ( -4.118 0.892 1.905) 4.624 5.256 ( -1.291 -3.905 0.464) 4.139 5.471 ( 2.203 -0.073 -5.123) 5.577 5.568 ( -0.785 0.663 -0.415) 1.108 5.729 ( 6.626 4.066 0.614) 7.799 6.003 ( 0.209 2.803 0.636) 2.881 6.068 ( 1.822 0.309 1.447) 2.347 6.341 ( 0.030 0.743 -0.216) 0.775 6.497 ( 5.913 3.721 2.566) 7.443 6.794 ( -2.624 2.364 0.764) 3.614 6.934 ( 4.133 0.333 1.686) 4.476 7.125 ( 3.964 4.360 0.716) 5.936 7.216 ( 3.384 -0.195 0.387) 3.412 7.264 ( 0.838 0.319 2.111) 2.293 7.434 ( 0.952 3.011 -2.683) 4.144 7.870 ( -7.878 -3.763 -0.842) 8.771 7.981 ( -0.920 -3.957 -1.193) 4.234 8.123 ( -1.820 -0.854 -3.003) 3.614 8.288 ( -1.105 -0.152 -2.104) 2.382 8.477 ( -4.035 -5.150 6.306) 9.087 ======================= Grid point 79 (32/78) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 8.110 5.482 9.472) 13.621 1.413 ( 4.338 8.232 7.092) 11.699 1.638 ( 0.328 -1.719 -1.072) 2.052 1.802 ( 1.655 0.709 -0.780) 1.962 1.942 ( 5.814 -0.137 2.044) 6.164 2.149 ( -1.434 3.732 0.369) 4.015 2.351 ( -1.265 -3.170 -3.111) 4.618 2.521 ( -5.261 0.287 0.241) 5.274 2.635 ( 2.151 -0.484 2.469) 3.310 2.722 ( -4.219 -1.453 -4.143) 6.089 3.000 ( 1.972 2.240 7.089) 7.691 3.053 ( 3.992 5.936 9.691) 12.045 3.226 ( 3.289 5.806 -1.688) 6.883 3.558 ( 3.881 2.714 -8.552) 9.776 3.629 ( -5.003 -5.444 2.690) 7.867 3.855 ( 1.873 -7.743 -5.172) 9.498 4.024 ( -1.206 -1.392 -3.000) 3.521 4.220 ( -4.955 -0.497 -2.834) 5.730 4.539 ( 0.617 -1.794 -0.612) 1.993 4.636 ( 0.385 -2.758 1.807) 3.319 4.894 ( -6.444 -3.176 1.074) 7.264 4.969 ( -7.418 -0.662 -1.276) 7.556 5.186 ( -0.936 0.277 1.046) 1.430 5.241 ( -2.453 -0.769 1.845) 3.164 5.405 ( 0.837 -0.092 -3.265) 3.372 5.552 ( -3.015 -0.391 -1.611) 3.440 5.809 ( 5.661 3.090 2.785) 7.025 6.039 ( 5.623 -0.989 0.569) 5.738 6.102 ( -2.435 3.214 0.863) 4.124 6.330 ( -1.359 -0.131 -2.341) 2.710 6.610 ( 5.379 4.081 5.130) 8.480 6.839 ( 0.277 1.217 0.548) 1.363 6.965 ( 3.264 0.994 1.540) 3.744 7.161 ( 1.677 -1.533 -0.355) 2.300 7.204 ( 1.656 0.227 1.018) 1.957 7.329 ( 4.486 0.858 3.649) 5.846 7.468 ( 0.609 7.603 -2.993) 8.194 7.787 ( -4.964 -4.676 -2.823) 7.381 7.915 ( -0.142 -3.295 0.777) 3.388 8.055 ( -1.975 -1.574 -3.469) 4.291 8.241 ( 1.047 -1.259 -1.882) 2.495 8.486 ( -5.525 -2.454 2.461) 6.527 ======================= Grid point 80 (33/78) ======================= q-point: (-0.62 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 1.909 0.415 0.766) 2.098 1.542 ( 3.793 0.105 1.323) 4.019 1.581 ( 1.899 -0.577 -0.506) 2.048 1.804 ( 5.421 -2.520 1.917) 6.278 2.014 ( 1.156 5.875 1.739) 6.235 2.148 ( 3.511 -0.340 -4.609) 5.804 2.294 ( -3.668 -2.621 1.012) 4.621 2.466 ( -2.071 -2.699 -2.638) 4.305 2.621 ( -3.063 0.943 2.157) 3.863 2.721 ( -3.493 2.002 -0.187) 4.030 3.038 ( -3.989 -0.753 0.888) 4.155 3.186 ( 6.007 0.534 -0.617) 6.063 3.352 ( 5.670 -0.110 -3.907) 6.887 3.515 ( 5.036 -4.355 -2.963) 7.288 3.577 ( 1.527 3.777 2.695) 4.885 3.746 ( -0.334 1.192 4.491) 4.659 3.981 ( -3.156 -1.655 0.654) 3.623 4.180 ( -4.978 0.809 -2.333) 5.557 4.540 ( 1.195 1.510 0.604) 2.018 4.629 ( 0.393 -1.586 1.777) 2.414 4.877 ( -6.542 -0.928 0.675) 6.641 4.936 ( -9.447 1.115 -3.105) 10.006 5.184 ( -0.219 -0.465 -0.686) 0.857 5.272 ( -0.934 0.422 1.463) 1.786 5.376 ( 0.146 -0.438 0.053) 0.464 5.530 ( -4.040 0.348 -0.767) 4.127 5.879 ( 4.622 0.860 1.809) 5.038 6.007 ( 5.266 -1.769 -1.096) 5.662 6.161 ( -2.363 1.461 1.310) 3.072 6.286 ( -0.911 -0.777 -1.580) 1.982 6.705 ( 4.044 0.820 0.724) 4.189 6.830 ( 2.441 -1.230 -1.904) 3.331 6.998 ( 3.602 1.028 1.242) 3.946 7.140 ( -0.377 0.057 0.151) 0.410 7.227 ( 2.555 0.261 0.982) 2.749 7.359 ( 3.307 -1.721 1.641) 4.073 7.532 ( 1.316 0.741 -0.142) 1.517 7.685 ( -2.661 0.976 -4.300) 5.150 7.920 ( -0.953 -0.366 2.836) 3.014 8.000 ( -1.306 -0.235 -1.017) 1.672 8.214 ( 0.756 -0.315 -0.092) 0.824 8.487 ( -5.489 0.208 0.178) 5.496 ======================= Grid point 82 (34/78) ======================= q-point: (-0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 5.151 -5.967 -7.119) 10.622 1.399 ( 5.678 -9.417 -7.345) 13.224 1.643 ( -0.083 1.767 1.078) 2.072 1.798 ( 2.608 -2.144 2.620) 4.274 2.014 ( 5.337 -3.656 -1.250) 6.588 2.132 ( -3.090 -1.239 -2.894) 4.411 2.291 ( -0.213 6.065 2.439) 6.541 2.460 ( -2.104 2.827 -2.196) 4.152 2.684 ( 1.604 -3.663 1.495) 4.270 2.716 ( -2.975 1.957 -1.587) 3.899 3.014 ( 1.421 -2.860 -6.758) 7.475 3.056 ( 0.200 -3.578 -5.532) 6.591 3.218 ( 4.571 -5.419 0.405) 7.101 3.461 ( 4.571 3.581 2.290) 6.242 3.691 ( -3.389 0.869 2.726) 4.435 3.932 ( 1.624 4.703 7.151) 8.712 3.996 ( -3.679 0.327 3.279) 4.939 4.191 ( -3.207 2.864 0.441) 4.322 4.569 ( -0.595 0.341 0.999) 1.212 4.650 ( 0.309 1.296 0.782) 1.544 4.881 ( -5.602 3.085 -2.026) 6.709 4.941 ( -7.521 3.821 -0.567) 8.455 5.161 ( 0.367 0.375 -2.207) 2.269 5.266 ( -3.113 -0.492 -1.275) 3.400 5.411 ( 0.954 -0.655 5.059) 5.190 5.542 ( -2.833 1.411 0.388) 3.189 5.844 ( 3.057 -4.983 -2.019) 6.184 5.996 ( 6.086 1.191 -0.130) 6.203 6.140 ( -2.398 -3.259 -1.689) 4.384 6.302 ( 0.557 1.430 2.222) 2.701 6.641 ( 3.371 -5.571 -3.679) 7.479 6.784 ( 3.528 1.403 -2.692) 4.655 7.000 ( 0.433 -1.883 -1.001) 2.176 7.156 ( 3.571 0.317 0.226) 3.592 7.239 ( -1.580 -0.278 0.448) 1.666 7.340 ( 4.514 -2.110 -1.144) 5.112 7.450 ( 1.952 -7.933 1.322) 8.275 7.740 ( -3.061 8.701 -0.437) 9.234 7.954 ( -2.888 2.410 -0.611) 3.811 8.040 ( 0.015 0.496 5.231) 5.254 8.234 ( 0.573 1.880 1.295) 2.354 8.493 ( -5.585 2.116 -2.066) 6.320 ======================= Grid point 85 (35/78) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 19.543 7.697 -0.000) 21.004 0.661 ( 22.195 -0.166 -0.000) 22.195 1.131 ( 34.799 -2.730 -0.000) 34.906 1.789 ( -0.661 0.687 0.000) 0.954 1.890 ( 1.178 0.860 -0.000) 1.458 1.912 ( 4.205 -1.923 -0.000) 4.624 2.233 ( -5.615 0.017 0.000) 5.615 2.534 ( -4.177 -0.749 0.000) 4.243 2.683 ( 1.167 -1.031 -0.000) 1.557 2.745 ( 1.603 -1.667 -0.000) 2.313 2.884 ( -3.759 3.039 0.000) 4.834 3.061 ( 1.235 -1.453 -0.000) 1.907 3.495 ( -3.455 10.282 0.000) 10.847 3.539 ( -1.756 -9.074 -0.000) 9.242 3.794 ( -4.075 -2.036 0.000) 4.555 4.086 ( -2.971 2.667 0.000) 3.993 4.162 ( 1.185 -0.169 -0.000) 1.197 4.179 ( 0.346 -1.796 -0.000) 1.829 4.616 ( -2.500 0.401 0.000) 2.532 4.702 ( -5.174 2.768 0.000) 5.868 4.944 ( 0.163 -2.590 -0.000) 2.595 5.111 ( -5.499 1.283 0.000) 5.647 5.194 ( -2.571 -5.839 -0.000) 6.380 5.365 ( -0.126 3.070 0.000) 3.073 5.495 ( 3.972 0.777 -0.000) 4.047 5.514 ( 5.111 0.878 -0.000) 5.186 5.823 ( 0.410 -0.135 -0.000) 0.431 5.962 ( -2.639 -0.099 0.000) 2.640 6.055 ( 2.505 -0.460 -0.000) 2.547 6.264 ( -0.942 3.986 0.000) 4.096 6.425 ( 5.671 -2.326 -0.000) 6.130 6.770 ( -0.800 -0.757 0.000) 1.102 6.842 ( 1.353 2.124 0.000) 2.518 7.064 ( 8.454 0.764 -0.000) 8.489 7.191 ( 1.973 -1.208 -0.000) 2.314 7.257 ( -2.754 -0.068 0.000) 2.755 7.427 ( -1.709 0.412 0.000) 1.758 7.903 ( -7.133 -1.368 0.000) 7.263 8.023 ( -4.036 -0.182 0.000) 4.040 8.128 ( -1.791 -0.695 0.000) 1.921 8.302 ( -0.107 -0.445 -0.000) 0.458 8.441 ( 2.451 1.050 -0.000) 2.666 ======================= Grid point 88 (36/78) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 1.737 1.517 1.875) 2.972 1.553 ( 3.536 3.545 3.414) 6.060 1.615 ( -0.856 -0.736 -1.789) 2.115 1.851 ( 4.271 7.163 0.540) 8.357 2.079 ( 8.950 -3.762 1.852) 9.883 2.112 ( -4.310 1.328 0.121) 4.511 2.287 ( -4.413 1.252 0.801) 4.656 2.426 ( -3.894 -3.658 -3.395) 6.330 2.598 ( 0.773 -0.102 -2.604) 2.718 2.703 ( -0.707 -1.955 0.763) 2.214 3.005 ( -2.978 -2.361 0.540) 3.838 3.245 ( 4.034 3.602 3.613) 6.504 3.370 ( 5.582 5.549 2.303) 8.201 3.517 ( 3.419 5.860 1.827) 7.026 3.621 ( -1.812 -3.482 2.566) 4.690 3.817 ( -0.914 -4.440 -4.900) 6.676 3.905 ( -0.474 3.363 -7.547) 8.276 4.139 ( -3.770 -4.519 2.134) 6.260 4.555 ( 1.489 0.060 0.040) 1.491 4.644 ( -1.635 -0.075 -0.029) 1.637 4.813 ( -5.919 -4.608 -1.420) 7.634 4.859 ( -4.347 -5.860 2.234) 7.631 5.184 ( -0.304 0.010 0.048) 0.308 5.265 ( 0.051 -0.249 0.760) 0.801 5.381 ( 0.396 0.738 -0.247) 0.874 5.496 ( -2.372 -2.636 0.274) 3.556 5.916 ( 3.529 2.850 1.839) 4.895 6.056 ( -0.963 1.366 -1.024) 1.960 6.130 ( 2.465 0.448 0.591) 2.574 6.278 ( -1.167 -0.678 -0.709) 1.525 6.735 ( 3.448 2.840 2.022) 4.904 6.852 ( 1.071 2.051 -0.508) 2.369 7.023 ( 2.675 1.936 0.500) 3.340 7.137 ( -1.547 -1.823 -2.680) 3.592 7.252 ( 2.061 1.953 0.659) 2.915 7.393 ( 0.412 2.641 -0.444) 2.710 7.498 ( 6.083 4.613 0.581) 7.656 7.692 ( -3.994 -4.753 0.088) 6.210 7.915 ( -3.037 -2.476 -1.324) 4.136 7.990 ( 0.342 0.280 0.304) 0.537 8.226 ( -0.120 0.225 -0.445) 0.513 8.437 ( -3.025 -3.250 -0.444) 4.462 ======================= Grid point 89 (37/78) ======================= q-point: (-0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 1.755 -1.815 -2.763) 3.743 1.561 ( 1.731 -2.982 -2.809) 4.447 1.622 ( 0.796 1.445 1.602) 2.300 1.925 ( 5.372 -4.215 -0.886) 6.886 2.036 ( 2.734 4.911 -0.075) 5.622 2.169 ( -0.108 0.391 1.788) 1.834 2.226 ( -3.891 -5.944 -3.055) 7.733 2.373 ( -1.375 4.439 -1.177) 4.794 2.630 ( -0.124 1.734 3.041) 3.503 2.714 ( -2.114 0.391 1.838) 2.828 2.986 ( -2.688 -0.871 0.230) 2.835 3.234 ( 7.285 -5.586 -8.300) 12.376 3.361 ( 1.458 2.987 0.410) 3.348 3.489 ( 6.463 -6.976 -8.752) 12.924 3.654 ( -0.981 1.381 5.518) 5.772 3.813 ( -10.326 4.544 -0.753) 11.306 3.945 ( 5.916 6.627 3.804) 9.663 4.141 ( -3.202 -2.580 5.473) 6.846 4.570 ( 1.090 0.601 0.641) 1.400 4.643 ( -0.855 -1.139 0.225) 1.442 4.735 ( -7.794 1.240 -4.005) 8.850 4.849 ( -3.001 -1.427 3.808) 5.054 5.169 ( 0.376 -0.263 -1.397) 1.471 5.243 ( -1.329 -0.573 -2.711) 3.073 5.431 ( 0.945 0.434 4.897) 5.006 5.489 ( -2.541 -0.507 1.933) 3.233 5.941 ( 2.841 -1.880 -1.155) 3.598 6.045 ( 1.271 0.462 0.719) 1.531 6.142 ( -0.014 -0.025 -1.633) 1.633 6.284 ( -0.217 0.596 2.441) 2.522 6.744 ( 2.845 -1.331 -2.787) 4.199 6.831 ( 3.678 -0.116 -2.984) 4.737 7.007 ( -1.557 -0.379 -4.014) 4.322 7.144 ( 0.560 2.943 1.953) 3.576 7.260 ( 1.522 -0.418 -1.349) 2.077 7.417 ( 2.350 -1.481 1.293) 3.063 7.567 ( 0.116 5.742 -0.786) 5.797 7.615 ( 1.646 -5.450 0.210) 5.697 7.866 ( -4.637 1.644 -2.972) 5.748 8.057 ( 1.330 -0.134 6.677) 6.809 8.223 ( 0.281 0.294 -0.229) 0.466 8.401 ( -3.857 0.479 -1.804) 4.285 ======================= Grid point 90 (38/78) ======================= q-point: (-0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 5.243 -7.965 -5.363) 10.940 1.411 ( 8.173 -9.039 -5.752) 13.476 1.652 ( -0.517 0.361 0.813) 1.029 1.835 ( 1.239 -2.745 -1.065) 3.195 1.984 ( -2.586 -6.477 -5.591) 8.939 2.153 ( 4.156 0.920 2.911) 5.156 2.304 ( -3.817 6.767 1.806) 7.977 2.427 ( 6.183 4.545 -0.859) 7.721 2.674 ( -1.273 -2.774 0.988) 3.208 2.745 ( 0.149 -0.385 2.397) 2.432 2.949 ( 4.289 -4.679 -7.217) 9.611 2.999 ( 0.566 -2.384 -3.250) 4.070 3.289 ( 5.220 -4.174 -2.384) 7.096 3.482 ( -3.076 7.772 0.386) 8.368 3.723 ( -1.951 0.568 2.642) 3.334 3.868 ( -9.025 2.772 1.575) 9.571 4.059 ( 1.160 1.602 2.534) 3.215 4.224 ( -0.287 1.068 5.478) 5.588 4.568 ( -1.792 -1.862 0.410) 2.617 4.612 ( -2.953 -0.388 -1.683) 3.421 4.765 ( -3.924 7.787 -1.778) 8.899 4.927 ( 0.076 3.727 3.690) 5.245 5.139 ( 2.050 0.682 -3.084) 3.766 5.201 ( -2.887 -0.416 -1.171) 3.143 5.490 ( -1.109 -2.015 4.252) 4.834 5.544 ( 0.040 2.619 2.818) 3.848 5.866 ( 2.954 -4.925 -0.396) 5.757 6.061 ( 3.774 -0.254 -1.531) 4.081 6.097 ( -0.660 -2.082 0.147) 2.189 6.336 ( 0.006 1.073 1.249) 1.647 6.635 ( 2.791 -5.810 -3.421) 7.297 6.798 ( 3.179 1.527 -2.289) 4.205 6.957 ( -2.260 0.126 -3.023) 3.776 7.192 ( -0.008 0.576 0.438) 0.724 7.217 ( -0.602 -2.194 -0.908) 2.450 7.358 ( 3.096 -5.706 -1.283) 6.618 7.532 ( 5.051 -4.688 -0.091) 6.892 7.693 ( -3.009 8.823 1.408) 9.427 7.883 ( -5.014 3.866 -0.681) 6.367 8.122 ( 0.353 -2.210 3.642) 4.275 8.257 ( -0.069 3.722 1.024) 3.861 8.382 ( -3.202 0.877 -2.717) 4.290 ======================= Grid point 92 (39/78) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 15.846 -8.045 -0.000) 17.772 1.012 ( 18.432 -6.225 -0.000) 19.455 1.570 ( 13.915 -4.458 -0.000) 14.612 1.770 ( -0.920 0.408 0.000) 1.007 1.875 ( -0.340 1.869 0.000) 1.899 2.104 ( 11.366 -6.350 -0.000) 13.019 2.198 ( 4.122 -2.827 -0.000) 4.998 2.506 ( -3.096 -2.617 0.000) 4.054 2.678 ( 0.622 1.376 0.000) 1.510 2.764 ( -0.565 7.023 0.000) 7.045 2.813 ( -3.742 -5.706 -0.000) 6.824 3.078 ( 1.658 4.078 0.000) 4.402 3.316 ( -2.279 6.514 0.000) 6.901 3.588 ( -5.739 -3.504 0.000) 6.724 3.762 ( -4.372 -2.324 0.000) 4.952 3.977 ( -4.940 2.599 0.000) 5.582 4.147 ( -4.793 1.586 0.000) 5.049 4.211 ( 0.970 -2.947 -0.000) 3.102 4.563 ( -2.619 1.451 0.000) 2.994 4.608 ( -2.450 1.625 0.000) 2.940 4.993 ( 2.158 -1.830 -0.000) 2.830 5.015 ( -0.950 6.089 0.000) 6.163 5.196 ( -1.945 0.076 0.000) 1.946 5.275 ( 1.218 9.199 0.000) 9.279 5.516 ( 1.645 1.298 -0.000) 2.096 5.598 ( 4.582 -0.885 -0.000) 4.666 5.845 ( 0.908 -1.877 -0.000) 2.085 5.949 ( -1.426 -2.291 -0.000) 2.698 6.102 ( 3.907 0.332 -0.000) 3.921 6.235 ( -1.924 -2.670 -0.000) 3.291 6.520 ( 2.740 -2.107 -0.000) 3.457 6.774 ( -1.394 -1.298 0.000) 1.905 6.855 ( 1.307 -1.159 -0.000) 1.747 7.158 ( 5.178 -0.002 -0.000) 5.178 7.209 ( -3.843 -0.191 0.000) 3.848 7.230 ( -1.125 -2.981 -0.000) 3.186 7.420 ( 4.095 1.362 -0.000) 4.316 7.856 ( -4.995 -1.613 0.000) 5.249 7.968 ( -3.893 -1.082 0.000) 4.041 8.100 ( -2.124 0.715 0.000) 2.241 8.307 ( -0.837 -1.009 -0.000) 1.312 8.411 ( 0.780 5.037 0.000) 5.097 ======================= Grid point 93 (40/78) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 16.611 5.361 6.458) 18.611 1.042 ( 17.878 0.295 9.260) 20.136 1.573 ( 12.194 -0.184 4.663) 13.056 1.794 ( 0.219 1.505 1.278) 1.987 1.890 ( 0.909 1.506 -1.597) 2.376 2.064 ( 8.760 -3.436 4.775) 10.552 2.186 ( 4.308 -1.429 3.110) 5.503 2.460 ( -4.631 -1.808 -0.938) 5.060 2.651 ( -1.195 -2.097 -3.455) 4.214 2.750 ( -2.407 -2.867 1.340) 3.976 2.889 ( 1.697 6.018 2.887) 6.888 3.071 ( 2.334 -0.662 -3.449) 4.216 3.387 ( -3.646 3.619 -4.302) 6.700 3.501 ( -3.502 -5.022 -1.641) 6.338 3.735 ( -4.485 -0.670 0.870) 4.617 3.992 ( -6.897 2.037 -2.386) 7.577 4.127 ( -0.059 2.033 -3.495) 4.044 4.222 ( -2.232 -2.764 3.838) 5.230 4.584 ( -1.779 0.889 0.177) 1.997 4.633 ( -2.470 2.907 -1.171) 3.990 4.962 ( 1.438 -3.054 0.469) 3.409 5.050 ( -2.003 0.499 -0.468) 2.116 5.176 ( -1.692 -4.770 1.783) 5.366 5.368 ( 0.759 1.970 -0.239) 2.125 5.536 ( 2.157 2.615 -0.895) 3.506 5.603 ( 4.990 -0.154 -0.421) 5.010 5.740 ( 3.511 0.479 -8.012) 8.761 5.932 ( -1.636 -0.065 -1.134) 1.991 6.094 ( 1.784 -1.872 2.366) 3.505 6.269 ( -0.385 3.060 1.878) 3.610 6.497 ( 3.695 -0.447 0.459) 3.751 6.761 ( -0.738 -1.418 -0.455) 1.662 6.878 ( 1.515 1.781 2.637) 3.525 7.141 ( 1.091 -0.660 -2.842) 3.115 7.189 ( 0.928 1.778 0.437) 2.052 7.229 ( -0.632 0.214 1.328) 1.487 7.478 ( 3.336 -0.002 2.837) 4.379 7.820 ( -7.312 -3.641 1.435) 8.294 7.956 ( -4.376 0.830 -0.326) 4.466 8.109 ( -1.697 0.057 0.023) 1.698 8.281 ( -0.523 -0.287 -2.246) 2.324 8.489 ( -1.382 0.616 4.069) 4.341 ======================= Grid point 97 (41/78) ======================= q-point: ( 0.25 -0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -2.250 2.241 -3.133) 4.461 1.545 ( -2.176 3.322 -3.296) 5.161 1.625 ( 1.020 0.580 1.454) 1.868 1.879 ( 0.139 7.878 -2.035) 8.137 2.046 ( -3.668 5.381 -1.030) 6.593 2.159 ( 0.650 -4.710 -1.189) 4.901 2.270 ( -0.769 -4.405 1.104) 4.606 2.406 ( 4.020 -4.997 2.360) 6.834 2.638 ( 2.816 2.326 2.689) 4.536 2.674 ( -1.687 -1.407 -0.168) 2.203 2.985 ( -0.479 -1.929 -0.217) 2.000 3.237 ( -4.678 5.525 -6.003) 9.404 3.404 ( 0.380 -0.851 -0.556) 1.085 3.514 ( -6.043 3.318 -9.050) 11.377 3.637 ( -1.192 2.014 6.245) 6.669 3.737 ( 8.133 -2.923 -1.339) 8.745 3.970 ( 6.425 2.655 3.550) 7.806 4.156 ( -2.786 -5.437 5.711) 8.363 4.562 ( -0.883 2.150 0.068) 2.325 4.607 ( 0.894 1.154 -2.132) 2.584 4.753 ( 0.641 -7.855 -1.561) 8.035 4.876 ( -1.428 -6.105 4.469) 7.700 5.178 ( 0.043 -0.652 -0.745) 0.991 5.230 ( -0.807 0.259 -3.462) 3.564 5.419 ( 0.428 1.638 3.665) 4.037 5.502 ( -0.500 -3.466 2.948) 4.578 5.925 ( -2.031 4.541 -1.631) 5.235 6.061 ( 1.476 -0.247 1.271) 1.964 6.127 ( -0.945 1.543 -1.914) 2.633 6.296 ( 0.734 -1.606 2.554) 3.105 6.734 ( -1.877 4.073 -3.704) 5.816 6.854 ( 0.737 1.338 -1.396) 2.070 6.999 ( -0.919 -0.808 -4.772) 4.927 7.135 ( 2.876 1.510 1.807) 3.717 7.253 ( -0.497 2.559 -1.801) 3.168 7.395 ( -0.041 4.313 -0.407) 4.332 7.561 ( 0.967 0.960 0.816) 1.588 7.674 ( -2.534 -4.627 1.693) 5.541 7.847 ( 2.264 -2.535 -3.424) 4.824 8.050 ( -0.130 1.672 5.666) 5.909 8.235 ( 0.562 -0.380 0.950) 1.167 8.395 ( 0.292 -3.438 -2.390) 4.197 ======================= Grid point 98 (42/78) ======================= q-point: (-0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -0.000 0.000 -2.186) 2.186 1.537 ( -0.000 0.000 -2.183) 2.183 1.641 ( -0.000 0.000 0.431) 0.431 1.908 ( -0.000 0.000 -3.971) 3.971 2.003 ( -0.000 0.000 -10.239) 10.239 2.177 ( 0.000 0.000 1.536) 1.536 2.181 ( -0.000 -0.000 5.051) 5.051 2.450 ( -0.000 0.000 5.735) 5.735 2.693 ( -0.000 0.000 4.153) 4.153 2.700 ( 0.000 0.000 1.760) 1.760 2.973 ( -0.000 0.000 0.186) 0.186 3.159 ( -0.000 0.000 -10.698) 10.698 3.340 ( -0.000 0.000 -4.583) 4.583 3.512 ( 0.000 -0.000 -2.523) 2.523 3.522 ( -0.000 0.000 -7.569) 7.569 3.811 ( -0.000 0.000 8.870) 8.870 4.059 ( -0.000 0.000 2.460) 2.460 4.214 ( -0.000 0.000 6.949) 6.949 4.576 ( -0.000 0.000 -0.803) 0.803 4.621 ( -0.000 -0.000 -2.907) 2.907 4.637 ( -0.000 0.000 0.443) 0.443 4.897 ( -0.000 0.000 4.203) 4.203 5.159 ( 0.000 0.000 -0.686) 0.686 5.182 ( -0.000 0.000 -3.400) 3.400 5.507 ( 0.000 0.000 4.238) 4.238 5.510 ( -0.000 -0.000 3.174) 3.174 5.929 ( -0.000 0.000 -1.971) 1.971 6.089 ( -0.000 0.000 1.844) 1.844 6.111 ( -0.000 0.000 -1.137) 1.137 6.323 ( -0.000 0.000 2.162) 2.162 6.703 ( -0.000 0.000 -4.523) 4.523 6.849 ( -0.000 0.000 -1.147) 1.147 6.892 ( -0.000 0.000 -5.872) 5.872 7.180 ( -0.000 -0.000 1.077) 1.077 7.232 ( -0.000 0.000 -2.922) 2.922 7.468 ( -0.000 0.000 2.387) 2.387 7.545 ( -0.000 0.000 -0.335) 0.335 7.680 ( -0.000 0.000 3.017) 3.017 7.762 ( -0.000 0.000 -3.977) 3.977 8.174 ( -0.000 0.000 6.898) 6.898 8.195 ( -0.000 0.000 -3.906) 3.906 8.355 ( -0.000 0.000 -0.432) 0.432 ======================= Grid point 101 (43/78) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 11.433 -11.361 -0.000) 16.118 1.324 ( 11.008 -6.262 -0.000) 12.664 1.674 ( -0.457 0.762 0.000) 0.889 1.776 ( 3.615 -0.798 -0.000) 3.702 1.839 ( -2.567 0.812 0.000) 2.692 2.160 ( -2.232 -2.201 0.000) 3.134 2.499 ( 0.237 1.072 0.000) 1.098 2.541 ( 10.617 -5.561 -0.000) 11.985 2.657 ( -2.670 1.692 0.000) 3.161 2.709 ( 4.868 -1.154 -0.000) 5.003 2.840 ( 2.972 -3.718 -0.000) 4.760 3.010 ( 0.471 3.576 0.000) 3.607 3.223 ( -3.051 4.610 0.000) 5.528 3.522 ( -3.167 2.486 0.000) 4.026 3.648 ( -9.907 3.747 0.000) 10.592 3.928 ( -3.119 -3.822 -0.000) 4.933 4.045 ( -5.357 0.811 0.000) 5.418 4.269 ( 1.307 -2.903 -0.000) 3.183 4.526 ( 0.857 1.211 0.000) 1.483 4.572 ( -0.570 0.530 0.000) 0.778 4.888 ( 0.900 10.932 0.000) 10.969 5.045 ( 1.112 0.644 -0.000) 1.285 5.169 ( -0.104 1.743 0.000) 1.746 5.184 ( 4.341 6.311 0.000) 7.660 5.523 ( 1.095 -0.063 -0.000) 1.097 5.638 ( 2.239 2.080 -0.000) 3.056 5.888 ( 0.201 -2.302 -0.000) 2.311 5.982 ( -0.078 -3.176 -0.000) 3.176 6.153 ( 1.946 -0.801 -0.000) 2.104 6.269 ( -1.490 -4.640 -0.000) 4.873 6.568 ( -0.048 -2.790 -0.000) 2.790 6.767 ( -1.736 -1.177 0.000) 2.098 6.878 ( 0.623 0.778 0.000) 0.996 7.161 ( -4.077 -1.353 0.000) 4.296 7.172 ( -2.946 -0.848 0.000) 3.066 7.312 ( 2.854 -6.770 -0.000) 7.347 7.502 ( 5.828 -1.266 -0.000) 5.964 7.764 ( -4.231 4.348 0.000) 6.067 7.940 ( -0.535 2.789 0.000) 2.839 8.064 ( -1.194 -0.332 0.000) 1.240 8.304 ( -2.268 -1.232 0.000) 2.581 8.351 ( 0.188 2.963 0.000) 2.969 ======================= Grid point 102 (44/78) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 14.070 -4.042 4.537) 15.326 1.297 ( 12.954 -3.049 5.557) 14.422 1.660 ( 0.965 -0.273 -1.678) 1.955 1.794 ( 1.382 -0.076 1.233) 1.854 1.868 ( 1.163 2.429 1.097) 2.908 2.124 ( -1.402 -4.044 1.970) 4.712 2.396 ( 2.184 -4.460 -3.687) 6.185 2.500 ( 4.610 -4.137 2.594) 6.715 2.640 ( -2.033 1.122 -3.956) 4.587 2.778 ( 6.663 -0.861 4.759) 8.233 2.846 ( 1.770 1.117 5.270) 5.671 3.037 ( -1.626 5.203 -5.402) 7.675 3.315 ( -0.132 2.700 2.523) 3.698 3.514 ( -3.377 -2.154 -1.626) 4.323 3.668 ( -7.016 -1.499 0.503) 7.192 3.853 ( -8.101 0.582 -3.694) 8.922 4.066 ( -3.108 2.602 -1.940) 4.494 4.237 ( -1.117 -3.152 1.938) 3.865 4.557 ( 1.045 1.861 0.434) 2.178 4.586 ( 0.702 2.159 -0.865) 2.430 5.007 ( 1.361 5.102 -1.251) 5.426 5.027 ( 2.219 -0.964 -0.051) 2.420 5.183 ( -0.390 0.369 0.661) 0.852 5.311 ( 2.431 8.044 0.716) 8.433 5.520 ( 0.812 2.020 -2.597) 3.389 5.657 ( 3.399 1.634 -1.184) 3.953 5.808 ( 2.331 -3.433 -4.003) 5.766 5.943 ( -0.517 -3.629 -0.334) 3.681 6.130 ( 1.059 -0.146 0.222) 1.092 6.253 ( -1.429 -2.383 4.700) 5.460 6.536 ( 0.377 -1.481 0.131) 1.534 6.769 ( -1.332 -1.103 1.538) 2.314 6.895 ( 1.185 -1.044 2.590) 3.034 7.104 ( -5.907 -2.083 -2.567) 6.769 7.178 ( -2.011 0.164 0.846) 2.188 7.256 ( 3.140 -1.326 0.526) 3.448 7.523 ( 2.467 -0.419 3.074) 3.964 7.809 ( -0.793 0.876 -0.092) 1.185 7.904 ( -1.562 -1.266 -2.311) 3.064 8.080 ( -1.340 0.318 -0.008) 1.377 8.274 ( -1.525 -0.620 -2.002) 2.592 8.426 ( -2.133 3.600 3.295) 5.326 ======================= Grid point 103 (45/78) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 12.023 3.515 7.323) 14.510 1.379 ( 10.873 0.235 7.179) 13.032 1.625 ( -1.480 0.061 -2.747) 3.121 1.798 ( 0.025 1.953 -2.249) 2.979 1.923 ( 5.003 1.561 2.378) 5.755 2.109 ( -3.300 -3.554 2.511) 5.462 2.314 ( -1.337 -1.093 -0.921) 1.957 2.501 ( -2.365 -1.407 0.572) 2.811 2.621 ( 3.566 0.144 2.295) 4.243 2.795 ( 7.252 -4.111 3.858) 9.185 2.980 ( 1.752 4.431 4.544) 6.584 3.018 ( 0.344 0.956 -1.193) 1.567 3.334 ( 2.001 -0.922 -1.198) 2.507 3.393 ( -2.654 -4.141 -5.591) 7.447 3.685 ( -5.175 1.527 0.263) 5.402 3.837 ( -8.362 1.973 -2.630) 8.985 4.060 ( -1.019 3.260 -4.083) 5.324 4.224 ( -3.652 -3.964 2.745) 6.049 4.568 ( 0.973 0.447 -1.419) 1.778 4.611 ( 1.003 2.774 -0.557) 3.002 4.989 ( 2.096 -1.858 -0.398) 2.829 5.048 ( 1.027 -0.573 1.212) 1.689 5.189 ( -0.389 -2.310 1.724) 2.909 5.382 ( 1.078 -0.302 0.294) 1.157 5.478 ( 0.944 3.047 -9.041) 9.587 5.625 ( 2.102 -2.278 -0.985) 3.252 5.776 ( 5.120 3.712 0.423) 6.338 5.883 ( -1.998 -1.312 -1.407) 2.773 6.167 ( 1.101 0.183 3.147) 3.340 6.296 ( -1.322 -0.778 2.680) 3.088 6.549 ( 1.947 1.646 2.411) 3.509 6.750 ( 0.057 -2.872 0.248) 2.883 6.932 ( -0.695 2.070 1.653) 2.739 7.077 ( -3.578 -0.409 1.094) 3.764 7.197 ( -2.562 1.341 0.280) 2.905 7.274 ( 3.553 1.934 1.140) 4.203 7.541 ( -0.186 -0.819 0.325) 0.900 7.748 ( -1.209 -4.969 -1.664) 5.378 7.917 ( -0.847 1.718 1.282) 2.305 8.070 ( -1.633 0.638 -2.174) 2.793 8.236 ( -0.733 -0.021 -2.106) 2.230 8.515 ( -2.815 0.171 4.118) 4.991 ======================= Grid point 108 (46/78) ======================= q-point: ( 0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 1.425 1.096 -0.000) 1.797 1.476 ( 1.939 -4.381 -0.000) 4.791 1.646 ( 0.235 0.639 0.000) 0.681 1.767 ( -2.870 0.493 0.000) 2.912 1.887 ( 6.534 -2.243 -0.000) 6.908 2.163 ( 0.064 -1.531 -0.000) 1.532 2.405 ( -2.325 7.113 0.000) 7.483 2.513 ( -8.557 0.564 0.000) 8.575 2.691 ( 0.704 -0.610 -0.000) 0.931 2.813 ( 5.564 -3.342 -0.000) 6.490 2.897 ( -5.108 1.792 0.000) 5.413 3.031 ( -1.548 4.044 0.000) 4.330 3.232 ( 11.709 -4.489 -0.000) 12.540 3.366 ( -4.963 2.694 0.000) 5.647 3.550 ( 0.551 1.363 0.000) 1.471 3.941 ( -5.734 -6.288 -0.000) 8.510 3.995 ( -0.961 -0.387 0.000) 1.036 4.316 ( -0.910 -2.260 -0.000) 2.436 4.557 ( 2.960 -0.772 -0.000) 3.060 4.594 ( 4.594 -0.943 -0.000) 4.689 4.749 ( 1.559 9.948 0.000) 10.069 5.002 ( 0.769 4.437 0.000) 4.503 5.142 ( 0.435 3.212 0.000) 3.242 5.214 ( 5.076 0.882 -0.000) 5.152 5.557 ( 2.163 -1.029 -0.000) 2.395 5.620 ( 1.426 3.227 0.000) 3.529 5.909 ( -0.822 -1.195 -0.000) 1.451 6.018 ( -0.164 -1.724 -0.000) 1.732 6.151 ( -3.692 -0.010 0.000) 3.692 6.297 ( -1.899 -2.529 -0.000) 3.163 6.627 ( 1.034 -4.079 -0.000) 4.208 6.761 ( -3.000 -1.910 0.000) 3.557 6.861 ( 2.399 2.972 0.000) 3.819 7.132 ( -3.869 -2.587 0.000) 4.654 7.146 ( -2.996 -2.087 0.000) 3.651 7.445 ( -1.586 -7.589 -0.000) 7.753 7.544 ( -1.637 2.651 0.000) 3.116 7.702 ( 4.162 -0.523 -0.000) 4.195 7.847 ( -0.192 8.174 0.000) 8.177 8.082 ( 1.442 -0.601 -0.000) 1.562 8.275 ( -1.721 -0.031 0.000) 1.721 8.351 ( 0.317 -1.686 -0.000) 1.716 ======================= Grid point 110 (47/78) ======================= q-point: (-0.38 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 9.003 -6.766 1.785) 11.402 1.452 ( 4.005 -1.085 2.444) 4.816 1.647 ( -0.989 0.628 -1.213) 1.687 1.792 ( -2.052 0.108 -0.948) 2.263 1.917 ( 7.561 0.206 6.661) 10.079 2.150 ( 0.051 -0.721 1.070) 1.291 2.444 ( -2.405 -2.927 -4.679) 6.020 2.461 ( -9.931 2.037 -4.164) 10.959 2.622 ( 2.500 -1.924 -4.050) 5.134 2.795 ( 0.226 1.408 2.693) 3.047 2.944 ( -0.850 1.890 -0.325) 2.098 3.071 ( 7.850 -2.817 3.477) 9.036 3.265 ( 3.309 0.628 9.245) 9.839 3.472 ( -4.423 4.580 1.378) 6.514 3.558 ( -2.947 1.481 0.039) 3.299 3.794 ( -6.422 -6.307 -5.798) 10.707 4.004 ( -0.584 1.637 -1.082) 2.047 4.264 ( -2.008 -2.790 -1.186) 3.636 4.563 ( 2.555 0.840 0.503) 2.736 4.597 ( 4.609 1.079 -0.028) 4.733 4.905 ( 2.021 10.793 -0.014) 10.981 5.052 ( 1.601 2.661 -1.003) 3.264 5.186 ( 2.423 2.123 -0.212) 3.228 5.247 ( 3.424 4.932 0.258) 6.010 5.520 ( 1.394 -0.191 -3.263) 3.554 5.657 ( 1.931 3.178 -1.873) 4.163 5.874 ( 0.134 -2.644 -0.609) 2.717 6.005 ( 0.568 -3.961 1.700) 4.348 6.126 ( -2.193 -0.139 -1.692) 2.773 6.269 ( -2.813 -3.406 2.766) 5.212 6.570 ( -0.101 -3.233 1.186) 3.445 6.760 ( -2.088 -1.636 2.654) 3.752 6.916 ( 1.308 1.018 2.654) 3.129 7.068 ( -5.098 -3.965 -2.130) 6.801 7.142 ( -3.812 -1.583 2.257) 4.705 7.334 ( 0.472 -5.270 -0.789) 5.350 7.548 ( -0.676 -0.258 -0.732) 1.029 7.764 ( 1.895 3.920 2.833) 5.195 7.899 ( 1.392 4.322 -4.361) 6.295 8.094 ( 1.396 -1.990 1.398) 2.804 8.254 ( -2.669 -0.923 -1.405) 3.154 8.356 ( -1.104 1.754 2.132) 2.973 ======================= Grid point 111 (48/78) ======================= q-point: (-0.25 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 9.088 -1.905 4.550) 10.341 1.493 ( 5.145 0.249 3.668) 6.324 1.611 ( -1.193 -1.067 -3.881) 4.198 1.763 ( -1.729 0.895 -2.480) 3.153 2.019 ( 8.825 -0.488 5.871) 10.611 2.152 ( -0.750 -5.477 1.581) 5.749 2.303 ( -2.267 -0.554 -3.679) 4.356 2.429 ( -7.599 0.041 -3.260) 8.269 2.592 ( -0.444 2.729 -0.223) 2.774 2.893 ( -1.641 5.155 -3.632) 6.516 2.926 ( -1.097 -1.361 4.441) 4.772 3.111 ( 6.900 -3.922 7.789) 11.121 3.386 ( 3.591 -2.705 6.861) 8.203 3.435 ( 0.823 -1.087 -7.199) 7.327 3.598 ( -4.160 -1.293 -1.217) 4.523 3.697 ( -7.254 2.348 1.170) 7.714 3.996 ( 0.167 3.537 -4.740) 5.917 4.225 ( -2.879 -2.264 1.133) 3.834 4.588 ( 2.186 1.770 -0.044) 2.813 4.609 ( 3.818 0.937 -0.729) 3.999 5.016 ( 3.532 4.733 -1.797) 6.174 5.069 ( 2.574 1.382 1.293) 3.195 5.199 ( 1.730 0.715 -0.077) 1.873 5.345 ( 1.449 7.121 -0.578) 7.290 5.461 ( 0.420 0.274 -5.438) 5.461 5.658 ( 1.779 2.027 -2.632) 3.769 5.834 ( 3.244 -2.115 0.176) 3.876 5.908 ( -1.273 -5.957 -2.070) 6.434 6.152 ( -1.181 1.828 1.931) 2.909 6.277 ( -3.882 -1.845 2.390) 4.918 6.585 ( 2.004 -1.948 5.662) 6.314 6.775 ( -1.303 -0.924 1.301) 2.061 6.906 ( -3.153 -3.600 -1.351) 4.972 7.034 ( -3.021 -0.391 3.658) 4.760 7.153 ( -3.149 -1.176 1.497) 3.680 7.293 ( 0.651 -0.101 0.356) 0.749 7.522 ( -2.932 -1.249 -1.558) 3.547 7.808 ( 0.998 -0.386 -2.347) 2.579 7.918 ( 4.947 2.639 1.727) 5.867 8.053 ( -0.063 -0.995 -2.247) 2.458 8.217 ( -2.091 -0.478 -1.659) 2.712 8.455 ( -1.854 2.751 5.154) 6.129 ======================= Grid point 112 (49/78) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 4.387 1.458 3.000) 5.511 1.511 ( -2.287 -0.861 -6.580) 7.019 1.552 ( 4.011 1.310 2.181) 4.750 1.755 ( -0.492 2.494 -2.225) 3.378 2.001 ( -4.848 -4.464 -3.719) 7.567 2.107 ( 9.014 -0.754 4.222) 9.982 2.324 ( -5.776 0.189 -0.651) 5.815 2.422 ( 0.549 2.227 3.421) 4.118 2.653 ( -1.124 2.341 1.567) 3.033 2.818 ( -2.983 -4.436 -1.840) 5.654 3.038 ( 0.315 1.678 4.551) 4.861 3.159 ( 0.277 -1.832 4.442) 4.813 3.290 ( 1.435 -0.786 -7.778) 7.949 3.401 ( -0.299 0.944 -3.904) 4.028 3.560 ( 2.033 -0.394 0.670) 2.176 3.765 ( -1.899 0.940 2.586) 3.343 3.997 ( -2.223 2.206 -0.791) 3.230 4.222 ( -1.151 -2.238 2.510) 3.555 4.578 ( 3.236 -1.290 -1.306) 3.721 4.625 ( 1.759 2.630 -0.787) 3.261 5.018 ( 3.958 -0.159 -1.110) 4.114 5.105 ( 2.926 -1.237 1.919) 3.712 5.209 ( 0.626 -0.172 0.570) 0.864 5.359 ( 0.830 0.094 -6.843) 6.894 5.409 ( 1.086 0.884 -0.094) 1.404 5.637 ( 1.074 -2.073 -0.753) 2.453 5.799 ( 0.209 1.426 -3.848) 4.109 5.875 ( 0.590 1.183 2.365) 2.709 6.194 ( -1.880 -0.574 1.268) 2.340 6.271 ( -3.728 0.074 -0.340) 3.744 6.640 ( 2.359 -0.362 2.042) 3.141 6.771 ( 0.171 -1.632 2.833) 3.274 6.884 ( -4.339 1.724 0.153) 4.671 7.094 ( -1.845 0.427 3.409) 3.900 7.151 ( -2.837 -0.117 0.393) 2.867 7.323 ( 0.890 2.447 0.186) 2.611 7.471 ( -6.098 -1.914 -1.766) 6.631 7.750 ( 3.569 -2.306 -0.786) 4.321 7.966 ( 3.403 0.876 0.242) 3.522 8.022 ( 0.361 0.351 -1.026) 1.143 8.209 ( -0.697 0.396 0.312) 0.860 8.547 ( -0.678 -0.119 4.223) 4.279 ======================= Grid point 116 (50/78) ======================= q-point: ( 0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -5.901 9.321 0.000) 11.032 1.349 ( -7.593 12.727 0.000) 14.820 1.665 ( 0.552 -0.485 -0.000) 0.735 1.815 ( 3.664 -1.185 -0.000) 3.850 1.974 ( 1.016 -1.479 -0.000) 1.795 2.142 ( -7.157 -0.013 0.000) 7.157 2.316 ( -6.292 5.197 0.000) 8.161 2.404 ( 1.545 1.034 -0.000) 1.859 2.532 ( -2.880 10.330 0.000) 10.724 2.776 ( -3.320 -0.002 0.000) 3.320 2.955 ( 7.244 -2.204 -0.000) 7.572 3.071 ( -0.678 0.973 0.000) 1.186 3.205 ( 2.083 -1.797 -0.000) 2.751 3.493 ( 1.960 -1.883 -0.000) 2.718 3.630 ( 3.239 -9.013 -0.000) 9.577 3.957 ( -3.372 -5.286 -0.000) 6.270 4.025 ( 2.873 -2.226 -0.000) 3.634 4.298 ( -4.624 -1.131 0.000) 4.760 4.598 ( 0.519 -0.156 -0.000) 0.542 4.665 ( 1.512 2.060 0.000) 2.555 4.741 ( 10.931 -0.626 -0.000) 10.949 4.978 ( 1.400 0.736 -0.000) 1.582 5.086 ( 0.204 4.056 0.000) 4.061 5.285 ( 6.297 0.793 -0.000) 6.347 5.569 ( 0.513 2.335 0.000) 2.391 5.626 ( 3.021 0.765 -0.000) 3.117 5.895 ( -2.099 0.573 0.000) 2.176 6.019 ( -2.276 0.337 0.000) 2.301 6.066 ( -4.284 0.843 0.000) 4.366 6.306 ( -1.195 -2.165 -0.000) 2.473 6.635 ( -3.345 3.326 0.000) 4.717 6.752 ( 0.061 -2.178 -0.000) 2.179 6.887 ( 1.412 -0.881 -0.000) 1.665 7.127 ( -3.057 -3.826 -0.000) 4.897 7.154 ( -1.171 -3.476 -0.000) 3.668 7.371 ( -6.226 4.190 0.000) 7.505 7.525 ( 0.023 3.125 0.000) 3.125 7.759 ( -0.077 0.749 0.000) 0.753 7.826 ( 4.239 -5.041 -0.000) 6.586 8.100 ( 0.164 -0.294 -0.000) 0.336 8.272 ( 0.675 -0.321 -0.000) 0.747 8.393 ( 1.759 -1.661 -0.000) 2.419 ======================= Grid point 117 (51/78) ======================= q-point: ( 0.50 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -3.012 4.829 1.020) 5.782 1.504 ( -0.924 4.060 2.474) 4.844 1.640 ( 0.177 -0.833 -1.592) 1.805 1.804 ( 3.405 -3.547 3.338) 5.943 1.975 ( 0.905 1.542 2.294) 2.908 2.161 ( -3.556 2.725 0.082) 4.481 2.276 ( -4.314 -0.697 -4.587) 6.336 2.429 ( -1.533 0.408 0.464) 1.653 2.678 ( 0.677 1.396 -3.122) 3.486 2.799 ( -0.506 0.992 -2.734) 2.952 2.945 ( 1.639 2.035 6.095) 6.632 3.034 ( 0.343 -1.734 0.574) 1.858 3.274 ( -5.282 5.512 4.844) 9.041 3.460 ( 5.364 -1.809 0.708) 5.704 3.567 ( 2.553 -3.255 1.810) 4.516 3.826 ( -4.886 -9.131 -2.940) 10.766 4.008 ( 3.394 0.286 -0.855) 3.512 4.248 ( -4.617 -1.780 -3.093) 5.835 4.595 ( 2.092 0.541 -0.816) 2.310 4.669 ( 3.034 -0.596 0.185) 3.097 4.818 ( 7.547 7.500 1.925) 10.813 5.014 ( 2.085 4.757 -0.838) 5.261 5.154 ( 0.589 4.413 0.333) 4.465 5.287 ( 5.848 0.597 -0.756) 5.927 5.557 ( 1.969 -0.658 -3.623) 4.176 5.639 ( 2.214 2.847 -2.024) 4.136 5.884 ( -2.136 -0.801 -0.333) 2.305 6.028 ( -3.038 1.119 0.856) 3.349 6.086 ( -2.029 -1.282 1.548) 2.856 6.276 ( -2.307 -3.004 1.074) 3.937 6.607 ( -1.658 -2.735 -1.675) 3.611 6.752 ( -2.063 -0.683 2.609) 3.396 6.920 ( 1.733 0.868 3.364) 3.882 7.062 ( -4.279 -4.660 -0.742) 6.369 7.132 ( -2.382 -3.804 3.577) 5.739 7.379 ( -5.099 -3.522 -0.410) 6.210 7.523 ( 0.838 1.267 -2.576) 2.991 7.758 ( 0.805 2.690 -1.834) 3.354 7.853 ( 4.009 4.243 1.571) 6.045 8.116 ( -1.018 -0.014 1.060) 1.470 8.247 ( 0.291 -0.848 -1.797) 2.008 8.366 ( 1.263 -2.744 1.833) 3.533 ======================= Grid point 118 (52/78) ======================= q-point: ( 0.62 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.955 0.375 0.455) 1.122 1.546 ( 2.425 -0.570 1.724) 3.030 1.619 ( 0.185 0.244 -1.109) 1.151 1.761 ( 0.907 -3.807 -1.531) 4.202 2.095 ( -1.184 4.696 3.439) 5.940 2.193 ( -4.401 -0.747 -2.109) 4.937 2.219 ( -0.578 0.390 0.885) 1.127 2.394 ( 1.717 -1.971 -1.608) 3.069 2.608 ( 2.708 -2.070 -3.301) 4.745 2.769 ( -3.038 3.618 -0.907) 4.810 2.959 ( 0.063 -4.254 3.428) 5.464 3.137 ( -4.614 0.392 5.047) 6.849 3.415 ( 0.882 3.161 -2.989) 4.439 3.524 ( -3.586 5.931 6.921) 9.794 3.551 ( 3.915 -4.887 3.019) 6.951 3.644 ( -1.916 -7.101 -1.723) 7.555 3.985 ( 4.437 2.166 -5.828) 7.638 4.197 ( -3.579 -0.419 -0.105) 3.605 4.595 ( 2.200 1.614 -1.108) 2.946 4.665 ( 3.189 -0.397 0.067) 3.214 4.966 ( 5.350 8.523 1.503) 10.175 5.072 ( 3.100 4.617 -0.894) 5.633 5.211 ( 2.065 3.963 -1.401) 4.683 5.294 ( 3.591 1.898 -0.094) 4.063 5.479 ( 1.509 -0.740 -4.718) 5.008 5.638 ( 1.498 3.312 -3.542) 5.075 5.866 ( -2.448 -2.167 0.438) 3.299 6.015 ( 0.601 -5.177 -2.116) 5.625 6.087 ( -2.616 1.121 1.784) 3.359 6.258 ( -2.781 -2.557 1.521) 4.072 6.613 ( -1.085 -0.288 6.135) 6.237 6.764 ( -1.797 -1.281 0.891) 2.380 6.934 ( -3.672 -5.714 -1.309) 6.917 7.016 ( -0.752 -1.176 3.954) 4.193 7.136 ( -3.295 -3.137 4.036) 6.082 7.306 ( -2.196 -3.953 -0.409) 4.541 7.500 ( -0.355 1.350 -3.886) 4.129 7.782 ( -0.377 3.426 -1.409) 3.724 7.949 ( 5.689 4.122 2.482) 7.451 8.078 ( -0.972 -1.483 -4.002) 4.377 8.209 ( -1.299 -2.014 -0.542) 2.457 8.411 ( 1.157 1.393 5.720) 5.999 ======================= Grid point 120 (53/78) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -0.021 -0.132 -3.881) 3.883 1.504 ( -2.417 -1.977 -6.476) 7.189 1.621 ( 4.690 -0.958 2.920) 5.607 1.719 ( 0.554 1.255 -0.528) 1.470 2.018 ( -4.307 -4.476 -6.868) 9.260 2.175 ( -7.164 -1.390 -0.788) 7.340 2.298 ( 6.067 0.741 5.050) 7.928 2.401 ( 5.183 2.537 2.594) 6.327 2.604 ( -0.447 2.348 2.299) 3.317 2.801 ( -3.601 0.265 -0.836) 3.706 3.010 ( -0.617 0.911 6.996) 7.082 3.161 ( -5.818 -3.747 1.947) 7.189 3.281 ( -4.581 -4.124 -9.412) 11.251 3.402 ( 1.537 -0.377 -12.797) 12.895 3.676 ( 4.776 -1.129 8.497) 9.813 3.730 ( 1.822 1.951 7.621) 8.075 3.935 ( -0.886 2.156 -2.254) 3.243 4.228 ( 0.372 0.919 2.374) 2.572 4.610 ( 1.787 2.368 -0.907) 3.102 4.651 ( 2.600 -1.361 -0.497) 2.977 5.069 ( 6.421 3.953 -0.700) 7.573 5.129 ( 3.241 4.149 0.440) 5.283 5.216 ( 2.284 1.373 -2.199) 3.455 5.337 ( 1.367 3.694 -1.418) 4.186 5.416 ( 1.263 0.254 -2.654) 2.950 5.642 ( 0.987 2.752 -2.276) 3.705 5.817 ( -3.218 -3.430 -2.996) 5.576 5.911 ( 3.070 -4.302 0.720) 5.334 6.134 ( -4.536 2.314 0.905) 5.172 6.232 ( -3.396 -2.976 0.535) 4.547 6.679 ( -0.049 -1.130 -1.321) 1.739 6.775 ( -0.897 0.622 1.279) 1.682 6.849 ( -3.040 -4.320 5.510) 7.633 7.052 ( -2.389 -1.444 2.749) 3.918 7.151 ( -2.669 -3.074 3.138) 5.140 7.274 ( -3.132 0.303 -0.197) 3.153 7.443 ( -0.978 -0.375 -4.753) 4.867 7.805 ( 2.333 1.135 -0.019) 2.595 8.000 ( 1.570 -0.468 -0.048) 1.638 8.020 ( 0.418 1.081 -1.679) 2.040 8.206 ( 1.082 0.152 2.600) 2.820 8.531 ( 1.179 2.378 5.736) 6.320 ======================= Grid point 121 (54/78) ======================= q-point: (-0.12 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -3.571 0.189 -13.184) 13.661 1.363 ( -6.016 -0.276 -9.942) 11.624 1.652 ( 2.175 -0.360 1.879) 2.896 1.758 ( 3.160 2.374 1.342) 4.174 1.891 ( -2.442 -2.529 -2.521) 4.326 2.148 ( -6.820 -0.244 -1.044) 6.904 2.348 ( 7.991 -1.503 5.061) 9.577 2.517 ( 0.917 4.367 2.743) 5.237 2.646 ( -1.698 0.681 -2.636) 3.209 2.763 ( -3.871 -2.583 -1.663) 4.942 2.997 ( -5.622 -0.773 -8.974) 10.618 3.148 ( -0.558 -1.049 5.616) 5.740 3.194 ( 1.811 -0.368 -12.987) 13.118 3.259 ( -3.110 2.667 5.995) 7.261 3.734 ( 2.575 -0.915 2.340) 3.598 3.849 ( 5.200 0.030 7.542) 9.161 3.988 ( -2.350 0.594 4.197) 4.847 4.264 ( 1.705 -0.388 1.912) 2.591 4.614 ( 2.675 -2.209 -0.146) 3.472 4.634 ( 1.277 2.229 -0.851) 2.706 5.072 ( 6.578 -0.041 -2.431) 7.013 5.152 ( 2.936 -0.183 -2.084) 3.605 5.223 ( 0.765 0.924 0.679) 1.379 5.325 ( 2.976 -0.648 -0.998) 3.205 5.418 ( 0.649 0.770 -0.617) 1.181 5.627 ( -0.285 -1.111 -1.780) 2.118 5.716 ( -3.095 -0.774 -4.449) 5.475 5.922 ( 2.373 2.158 1.253) 3.444 6.142 ( -4.666 -2.428 -0.755) 5.314 6.231 ( -4.106 1.691 2.075) 4.902 6.600 ( -1.533 -0.480 -5.928) 6.142 6.767 ( -1.527 0.660 -0.495) 1.735 6.932 ( 0.962 -1.637 4.955) 5.306 7.067 ( -3.382 2.467 -0.767) 4.256 7.151 ( -2.081 -2.114 3.135) 4.316 7.295 ( -5.129 1.922 0.508) 5.500 7.363 ( -1.294 -1.097 -4.292) 4.615 7.832 ( 5.090 -0.007 3.339) 6.087 7.981 ( 0.415 -1.924 0.534) 2.040 8.050 ( -0.468 2.035 2.052) 2.927 8.252 ( 3.737 -0.022 2.208) 4.341 8.621 ( 2.899 -0.097 3.680) 4.686 ======================= Grid point 124 (55/78) ======================= q-point: ( 0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -11.100 16.366 0.000) 19.775 1.009 ( -6.529 17.719 0.000) 18.884 1.567 ( -5.151 16.139 0.000) 16.941 1.815 ( -1.863 2.027 0.000) 2.754 1.931 ( -3.491 1.653 0.000) 3.863 1.984 ( 1.780 11.521 0.000) 11.658 2.173 ( -1.939 -3.195 -0.000) 3.737 2.453 ( -0.083 -5.188 -0.000) 5.189 2.585 ( 7.790 -3.027 -0.000) 8.357 2.749 ( -1.950 -1.037 0.000) 2.208 2.953 ( -4.720 3.305 0.000) 5.762 3.056 ( 3.909 2.136 -0.000) 4.455 3.356 ( 8.626 -4.130 -0.000) 9.564 3.550 ( -3.818 -6.764 -0.000) 7.767 3.717 ( -1.321 -3.318 -0.000) 3.571 4.021 ( 0.274 -6.164 -0.000) 6.170 4.122 ( 4.778 -1.923 -0.000) 5.151 4.228 ( -5.559 0.272 0.000) 5.565 4.596 ( -0.872 -1.301 -0.000) 1.566 4.675 ( -0.732 -1.865 -0.000) 2.004 4.890 ( 6.259 -0.334 -0.000) 6.268 5.030 ( 3.508 -3.136 -0.000) 4.705 5.078 ( 4.276 0.262 -0.000) 4.284 5.356 ( 4.599 0.964 -0.000) 4.698 5.537 ( 0.259 2.607 0.000) 2.620 5.621 ( -0.577 4.141 0.000) 4.181 5.839 ( -2.168 1.084 0.000) 2.424 5.958 ( -3.113 -0.663 0.000) 3.183 6.051 ( 1.499 0.722 -0.000) 1.663 6.316 ( -2.423 -1.680 0.000) 2.948 6.504 ( -3.338 5.725 0.000) 6.627 6.773 ( -0.512 -0.281 0.000) 0.584 6.886 ( -2.274 -0.029 0.000) 2.275 7.154 ( 0.926 -0.644 -0.000) 1.128 7.205 ( 0.274 -3.566 -0.000) 3.576 7.226 ( -4.075 4.748 0.000) 6.257 7.446 ( 0.398 5.058 0.000) 5.074 7.805 ( -1.660 -7.148 -0.000) 7.338 7.944 ( 1.791 -5.069 -0.000) 5.376 8.106 ( -0.006 -0.812 -0.000) 0.812 8.291 ( 0.846 -0.379 -0.000) 0.927 8.438 ( 2.796 0.310 -0.000) 2.813 ======================= Grid point 125 (56/78) ======================= q-point: ( 0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -7.336 11.793 3.038) 14.217 1.307 ( -3.979 14.013 5.833) 15.691 1.657 ( -0.080 0.335 -1.388) 1.430 1.865 ( -1.341 3.432 0.422) 3.709 1.943 ( -4.084 0.784 -0.949) 4.266 2.035 ( -1.357 -3.430 2.016) 4.204 2.297 ( 2.007 4.056 -0.034) 4.525 2.442 ( -0.235 1.926 4.196) 4.623 2.573 ( 4.031 6.361 0.878) 7.582 2.740 ( -1.287 0.945 0.459) 1.661 3.010 ( -4.210 2.210 1.110) 4.882 3.035 ( 3.514 -2.266 -2.591) 4.919 3.279 ( 5.284 -4.602 0.388) 7.018 3.465 ( -0.814 -0.059 -4.273) 4.350 3.671 ( -0.893 -5.615 3.078) 6.466 3.903 ( -2.656 -9.008 -1.411) 9.497 4.098 ( 6.152 -2.156 0.992) 6.594 4.194 ( -5.424 -1.540 -2.962) 6.369 4.590 ( -0.501 0.841 -0.730) 1.222 4.663 ( -1.732 0.830 -0.694) 2.042 4.907 ( 8.395 1.255 1.550) 8.628 5.010 ( 3.612 0.897 -0.299) 3.733 5.115 ( 2.350 2.445 1.523) 3.718 5.358 ( 4.692 1.072 -1.428) 5.020 5.571 ( 0.388 0.992 -0.477) 1.167 5.643 ( 2.338 2.345 -4.448) 5.545 5.827 ( -4.137 2.579 -1.551) 5.116 5.945 ( -3.849 0.198 -2.114) 4.396 6.088 ( 0.874 0.709 4.611) 4.746 6.288 ( -1.993 -2.522 0.510) 3.254 6.570 ( -4.166 1.756 0.485) 4.547 6.742 ( 0.624 -0.095 -1.822) 1.928 6.918 ( -1.821 -0.025 3.746) 4.165 7.091 ( -1.644 -5.340 -0.715) 5.633 7.179 ( 0.118 -3.944 3.540) 5.301 7.300 ( -3.571 3.900 0.280) 5.295 7.529 ( -0.780 0.901 1.073) 1.603 7.721 ( 2.830 1.703 -4.098) 5.263 7.899 ( 1.169 -3.184 2.400) 4.155 8.100 ( -0.924 -0.536 -0.055) 1.070 8.267 ( 0.531 -0.735 -2.104) 2.291 8.440 ( 2.369 -2.808 2.759) 4.594 ======================= Grid point 126 (57/78) ======================= q-point: ( 0.50 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -2.640 5.831 3.328) 7.214 1.529 ( -1.857 6.460 3.505) 7.580 1.601 ( -0.468 -1.640 -3.799) 4.164 1.857 ( -2.422 -1.884 -3.152) 4.398 1.965 ( 0.790 0.760 0.736) 1.320 2.068 ( -3.540 4.365 2.223) 6.044 2.302 ( 1.919 -1.218 2.633) 3.478 2.422 ( 0.407 -2.469 -1.323) 2.830 2.653 ( -0.416 -0.089 0.413) 0.593 2.785 ( 4.994 -1.505 -3.903) 6.514 3.017 ( -1.795 -1.028 2.458) 3.213 3.064 ( -0.397 1.600 5.928) 6.153 3.317 ( -0.881 5.357 5.920) 8.033 3.426 ( -0.205 4.262 -5.328) 6.826 3.636 ( -1.367 -5.116 -0.383) 5.310 3.741 ( -1.738 -8.480 0.314) 8.662 4.058 ( 4.515 -1.347 -5.040) 6.899 4.151 ( -2.070 -0.593 1.727) 2.760 4.591 ( 0.835 2.175 -2.031) 3.091 4.672 ( -1.602 1.370 -0.645) 2.205 4.973 ( 6.488 3.624 2.514) 7.845 5.043 ( 3.839 4.719 -0.800) 6.136 5.175 ( 1.302 2.760 1.116) 3.249 5.353 ( 5.008 0.837 -1.208) 5.220 5.508 ( -0.043 -0.704 -6.639) 6.676 5.619 ( 2.239 2.644 -2.935) 4.540 5.853 ( -2.323 -1.449 0.914) 2.886 5.934 ( -6.435 3.395 -1.756) 7.485 6.147 ( 2.235 -2.332 2.568) 4.127 6.268 ( -1.281 -2.769 1.611) 3.451 6.589 ( -2.200 -0.286 4.224) 4.771 6.746 ( -0.899 0.754 0.045) 1.175 6.944 ( -3.692 -3.316 -0.084) 4.963 7.035 ( -0.429 -2.383 3.580) 4.322 7.161 ( -2.153 -5.175 2.621) 6.187 7.336 ( -1.901 -1.700 1.904) 3.183 7.484 ( 0.594 -1.271 -3.482) 3.754 7.734 ( 2.284 4.488 -2.428) 5.591 7.946 ( 1.633 3.751 3.067) 5.113 8.068 ( -1.619 -0.900 -3.224) 3.718 8.223 ( -0.351 -1.381 -1.438) 2.024 8.454 ( 2.628 -2.285 4.988) 6.083 ======================= Grid point 127 (58/78) ======================= q-point: (-0.38 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 0.367 -0.703 -3.371) 3.463 1.492 ( -2.523 -1.921 -6.727) 7.437 1.630 ( -0.819 2.717 1.456) 3.189 1.779 ( 2.167 -2.289 -1.168) 3.362 1.931 ( -5.074 0.891 -4.316) 6.721 2.192 ( -2.042 -7.795 -1.842) 8.266 2.244 ( 1.580 7.664 4.158) 8.861 2.511 ( 0.910 4.150 7.048) 8.229 2.602 ( 4.865 -4.433 -2.515) 7.046 2.740 ( -1.206 0.704 1.083) 1.767 3.024 ( 0.389 -2.525 5.437) 6.007 3.130 ( -3.662 -3.207 1.393) 5.063 3.304 ( -2.865 -4.334 -6.845) 8.594 3.408 ( -1.223 -0.213 -13.042) 13.101 3.635 ( 0.334 6.376 8.279) 10.455 3.764 ( 0.488 0.619 6.966) 7.011 3.954 ( 1.938 -3.057 -2.686) 4.507 4.209 ( 1.170 2.525 3.025) 4.110 4.600 ( 1.677 2.689 -1.486) 3.500 4.674 ( -0.955 0.285 -0.748) 1.246 5.069 ( 3.205 5.798 0.830) 6.677 5.114 ( 5.382 5.759 -0.623) 7.907 5.216 ( 1.378 2.089 -0.759) 2.615 5.341 ( 3.320 1.049 -1.843) 3.939 5.428 ( 0.484 0.440 -3.345) 3.408 5.621 ( 2.112 2.400 -1.940) 3.739 5.803 ( -3.591 -2.822 -2.724) 5.318 5.966 ( -4.325 1.503 -0.033) 4.579 6.102 ( 2.345 -4.641 0.143) 5.202 6.241 ( -2.259 -3.499 1.279) 4.357 6.667 ( -0.920 0.893 -0.786) 1.504 6.763 ( -0.658 -0.500 3.718) 3.809 6.864 ( -3.321 -4.019 1.586) 5.449 7.078 ( 0.161 -2.307 3.925) 4.555 7.128 ( -4.707 -3.222 2.027) 6.053 7.297 ( -0.028 -5.829 1.027) 5.919 7.426 ( -0.092 1.481 -5.349) 5.551 7.785 ( 1.410 4.449 1.081) 4.790 7.993 ( -0.928 0.048 -3.316) 3.443 8.039 ( 1.463 0.820 1.053) 1.980 8.211 ( 0.023 0.540 2.311) 2.373 8.528 ( 2.400 1.356 5.764) 6.389 ======================= Grid point 128 (59/78) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -1.995 -2.605 -13.432) 13.827 1.311 ( -3.894 -3.216 -13.540) 14.451 1.665 ( -0.257 0.087 0.718) 0.767 1.791 ( 4.139 1.586 1.689) 4.743 1.888 ( -3.250 -0.640 -2.238) 3.997 2.075 ( -3.884 -3.827 1.048) 5.552 2.425 ( 2.718 6.272 3.578) 7.715 2.524 ( 4.548 -2.920 0.358) 5.416 2.618 ( -1.360 0.126 -1.481) 2.015 2.728 ( -4.523 -2.958 -7.150) 8.963 2.962 ( -1.927 -1.148 -4.341) 4.886 3.127 ( 0.910 1.888 8.166) 8.431 3.210 ( 1.045 1.148 -14.132) 14.217 3.251 ( -3.602 -5.532 7.023) 9.639 3.750 ( 1.033 1.730 -0.130) 2.020 3.911 ( 1.415 1.319 8.185) 8.410 3.947 ( -0.222 -0.581 5.844) 5.877 4.280 ( 1.733 1.963 1.341) 2.942 4.620 ( 1.451 1.998 -0.591) 2.539 4.660 ( -0.365 -0.917 -0.495) 1.104 5.141 ( 3.978 4.570 -4.823) 7.744 5.166 ( 4.320 4.090 -0.076) 5.950 5.218 ( 1.666 0.687 0.246) 1.819 5.360 ( 2.284 3.260 -0.609) 4.027 5.406 ( 1.637 0.577 -1.079) 2.044 5.616 ( -0.767 0.070 -2.235) 2.364 5.701 ( -3.723 -3.038 -5.083) 6.994 5.971 ( 2.545 -0.861 1.169) 2.930 6.072 ( -2.857 0.635 -0.202) 2.933 6.203 ( -4.008 -5.152 1.931) 6.808 6.589 ( -0.979 -0.740 -6.763) 6.874 6.757 ( -1.623 -1.964 1.125) 2.785 6.942 ( 0.793 2.480 3.047) 4.008 7.052 ( -1.253 -4.424 -0.578) 4.634 7.134 ( -4.903 -2.032 4.035) 6.667 7.235 ( -1.571 -3.059 0.470) 3.471 7.366 ( 0.358 0.743 -4.694) 4.766 7.880 ( 3.248 2.870 3.926) 5.848 7.977 ( -1.113 1.280 0.412) 1.746 8.037 ( -0.434 -2.517 2.283) 3.426 8.286 ( 2.101 2.105 3.142) 4.326 8.643 ( 3.067 3.130 4.898) 6.572 ======================= Grid point 129 (60/78) ======================= q-point: (-0.12 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -3.463 -0.176 -18.808) 19.125 1.050 ( -7.370 0.020 -17.970) 19.423 1.647 ( -0.763 -0.051 -4.437) 4.502 1.833 ( 2.181 0.819 1.119) 2.584 1.852 ( -0.494 -0.810 -0.486) 1.066 2.108 ( -2.351 -0.346 5.344) 5.848 2.243 ( -6.859 0.524 -29.905) 30.686 2.517 ( 4.419 -0.968 2.946) 5.398 2.562 ( -0.833 1.167 1.544) 2.107 2.721 ( -3.720 0.004 5.529) 6.664 3.010 ( 0.993 -0.947 -10.619) 10.707 3.020 ( 3.871 0.693 3.520) 5.278 3.282 ( 1.602 -1.986 8.616) 8.986 3.327 ( -3.376 2.234 8.789) 9.677 3.752 ( -0.236 -0.180 0.341) 0.452 4.013 ( 2.570 -0.162 5.550) 6.118 4.036 ( -0.653 0.052 4.549) 4.596 4.297 ( 0.827 0.093 -0.663) 1.064 4.635 ( 0.728 0.193 -0.143) 0.767 4.643 ( -0.089 -0.301 0.487) 0.579 5.082 ( 2.941 0.059 -5.741) 6.450 5.196 ( 6.524 -0.699 -0.481) 6.579 5.250 ( 0.931 1.043 0.697) 1.562 5.375 ( 3.027 -0.302 0.398) 3.068 5.411 ( 0.514 0.467 -1.208) 1.394 5.549 ( -5.712 -0.543 -3.889) 6.932 5.601 ( -1.830 -0.123 -5.115) 5.434 5.992 ( 4.802 0.711 1.159) 4.991 6.076 ( -2.688 -0.868 -0.562) 2.880 6.187 ( -6.473 0.375 2.515) 6.954 6.485 ( -1.011 -0.105 -6.445) 6.524 6.771 ( 0.477 0.265 2.097) 2.167 6.938 ( 0.227 -1.003 -4.160) 4.285 6.981 ( -4.756 0.908 -3.343) 5.884 7.157 ( -1.880 -0.513 0.562) 2.028 7.255 ( -3.078 0.341 3.695) 4.821 7.330 ( 0.888 0.006 0.223) 0.915 7.966 ( 4.478 0.679 4.366) 6.291 8.008 ( 0.217 -1.275 2.475) 2.793 8.078 ( -2.096 0.678 5.220) 5.666 8.331 ( 2.888 -0.028 0.856) 3.012 8.732 ( 5.786 -0.015 2.764) 6.413 ======================= Grid point 137 (61/78) ======================= q-point: (-0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.000 -0.000 -22.373) 22.373 0.685 ( -0.000 -0.000 -22.373) 22.373 1.353 ( -0.000 -0.000 -36.411) 36.411 1.853 ( 0.000 0.000 0.484) 0.484 1.853 ( 0.000 0.000 0.484) 0.484 1.875 ( -0.000 -0.000 -8.321) 8.321 2.202 ( 0.000 0.000 7.312) 7.312 2.582 ( 0.000 0.000 1.937) 1.937 2.582 ( 0.000 0.000 1.937) 1.937 2.761 ( 0.000 0.000 0.913) 0.913 2.884 ( -0.000 -0.000 -2.971) 2.971 3.121 ( 0.000 0.000 1.834) 1.834 3.417 ( 0.000 0.000 7.383) 7.383 3.417 ( 0.000 0.000 7.383) 7.383 3.772 ( 0.000 0.000 3.204) 3.204 4.083 ( 0.000 0.000 2.187) 2.187 4.083 ( 0.000 0.000 2.187) 2.187 4.269 ( -0.000 -0.000 -3.220) 3.220 4.642 ( 0.000 0.000 0.360) 0.360 4.642 ( 0.000 0.000 0.360) 0.360 5.026 ( -0.000 -0.000 -4.416) 4.416 5.258 ( -0.000 -0.000 -0.750) 0.750 5.258 ( -0.000 -0.000 -0.750) 0.750 5.403 ( -0.000 -0.000 -0.532) 0.532 5.403 ( -0.000 -0.000 -0.532) 0.532 5.412 ( -0.000 -0.000 -4.241) 4.241 5.509 ( -0.000 -0.000 -5.055) 5.055 6.052 ( -0.000 -0.000 -0.394) 0.394 6.052 ( -0.000 -0.000 -0.394) 0.394 6.166 ( 0.000 0.000 3.842) 3.842 6.393 ( -0.000 -0.000 -5.094) 5.094 6.826 ( 0.000 0.000 3.212) 3.212 6.871 ( -0.000 -0.000 -4.261) 4.261 6.871 ( -0.000 -0.000 -4.261) 4.261 7.133 ( -0.000 -0.000 -1.240) 1.240 7.275 ( 0.000 0.000 1.301) 1.301 7.380 ( 0.000 0.000 4.883) 4.883 8.050 ( 0.000 0.000 2.525) 2.525 8.050 ( 0.000 0.000 2.525) 2.525 8.154 ( 0.000 0.000 6.587) 6.587 8.347 ( -0.000 -0.000 -1.311) 1.311 8.838 ( 0.000 0.000 3.045) 3.045 ======================= Grid point 156 (62/78) ======================= q-point: (-0.75 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -0.000 0.000 0.000) 0.000 1.599 ( -0.000 0.000 0.000) 0.000 1.609 ( -0.000 0.000 -0.000) 0.000 2.008 ( -0.000 0.000 0.000) 0.000 2.078 ( -0.000 0.000 0.000) 0.000 2.094 ( 0.000 -0.000 -0.000) 0.000 2.251 ( -0.000 -0.000 0.000) 0.000 2.335 ( -0.000 0.000 -0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.674 ( -0.000 -0.000 0.000) 0.000 2.959 ( -0.000 0.000 0.000) 0.000 3.333 ( -0.000 -0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.560 ( -0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.710 ( -0.000 -0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.016 ( -0.000 0.000 0.000) 0.000 4.580 ( -0.000 0.000 0.000) 0.000 4.640 ( -0.000 -0.000 0.000) 0.000 4.720 ( -0.000 0.000 0.000) 0.000 4.771 ( -0.000 0.000 0.000) 0.000 5.180 ( -0.000 0.000 0.000) 0.000 5.269 ( -0.000 0.000 0.000) 0.000 5.403 ( -0.000 0.000 -0.000) 0.000 5.446 ( -0.000 0.000 -0.000) 0.000 5.989 ( -0.000 0.000 -0.000) 0.000 6.025 ( -0.000 -0.000 0.000) 0.000 6.165 ( -0.000 0.000 0.000) 0.000 6.258 ( -0.000 0.000 0.000) 0.000 6.787 ( -0.000 0.000 0.000) 0.000 6.883 ( -0.000 0.000 0.000) 0.000 7.057 ( -0.000 0.000 0.000) 0.000 7.101 ( -0.000 0.000 0.000) 0.000 7.293 ( -0.000 0.000 0.000) 0.000 7.418 ( -0.000 0.000 0.000) 0.000 7.582 ( -0.000 0.000 0.000) 0.000 7.618 ( -0.000 0.000 0.000) 0.000 7.865 ( -0.000 0.000 0.000) 0.000 8.003 ( -0.000 0.000 0.000) 0.000 8.226 ( -0.000 0.000 0.000) 0.000 8.386 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 163 (63/78) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 15.469 5.285 -0.000) 16.347 1.226 ( 16.213 0.090 -0.000) 16.213 1.669 ( 2.926 -0.247 -0.000) 2.936 1.810 ( 4.265 3.776 -0.000) 5.696 1.912 ( 0.475 3.380 0.000) 3.413 2.036 ( -4.494 -4.548 -0.000) 6.394 2.344 ( 8.828 -5.139 -0.000) 10.214 2.418 ( 3.650 -2.393 -0.000) 4.365 2.669 ( 2.342 -6.376 -0.000) 6.792 2.708 ( -1.060 1.745 0.000) 2.041 2.890 ( 1.319 7.893 0.000) 8.002 3.122 ( -0.723 -1.470 -0.000) 1.638 3.326 ( -7.872 0.298 0.000) 7.878 3.494 ( 1.952 -1.300 -0.000) 2.346 3.639 ( -7.106 -0.848 0.000) 7.156 3.891 ( -9.877 0.880 0.000) 9.916 4.115 ( -4.174 2.068 0.000) 4.658 4.181 ( 0.666 -1.489 -0.000) 1.631 4.579 ( 1.267 1.481 0.000) 1.949 4.635 ( 1.253 2.940 0.000) 3.196 4.988 ( 2.295 -4.075 -0.000) 4.677 5.046 ( 0.883 -0.793 -0.000) 1.186 5.152 ( 0.500 -3.443 -0.000) 3.479 5.393 ( 1.901 2.512 0.000) 3.151 5.564 ( 1.507 1.284 -0.000) 1.979 5.683 ( 5.252 0.692 -0.000) 5.297 5.830 ( 0.206 -0.075 -0.000) 0.219 5.919 ( -0.543 0.596 0.000) 0.806 6.090 ( -0.408 -3.846 -0.000) 3.868 6.239 ( -1.792 4.059 0.000) 4.437 6.519 ( 0.519 0.835 0.000) 0.983 6.769 ( -0.022 0.561 0.000) 0.562 6.858 ( -0.024 0.379 0.000) 0.379 7.106 ( -6.724 -1.574 0.000) 6.906 7.157 ( -4.096 -0.776 0.000) 4.169 7.257 ( 4.284 1.883 -0.000) 4.680 7.501 ( 3.381 1.055 -0.000) 3.542 7.796 ( 3.014 -2.788 -0.000) 4.106 7.895 ( -3.861 -1.279 0.000) 4.068 8.091 ( -0.901 0.732 0.000) 1.161 8.287 ( -1.136 -0.020 0.000) 1.136 8.429 ( -3.212 0.563 0.000) 3.261 ======================= Grid point 171 (64/78) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 12.299 -2.657 -0.000) 12.583 1.419 ( 8.775 -0.587 -0.000) 8.794 1.671 ( -1.475 0.648 0.000) 1.611 1.834 ( 0.195 2.842 0.000) 2.849 1.878 ( 7.072 2.172 -0.000) 7.398 2.089 ( -0.181 -5.478 -0.000) 5.481 2.396 ( -3.266 -6.315 -0.000) 7.110 2.496 ( -6.896 -2.699 0.000) 7.406 2.671 ( 0.543 1.745 0.000) 1.828 2.786 ( -0.984 5.263 0.000) 5.354 2.918 ( 13.278 -4.505 -0.000) 14.022 3.080 ( 0.389 1.931 0.000) 1.970 3.212 ( -5.527 2.008 0.000) 5.881 3.518 ( -7.505 2.329 0.000) 7.858 3.555 ( 1.852 -0.932 -0.000) 2.073 3.770 ( -8.378 -3.489 0.000) 9.075 4.036 ( -0.986 2.657 0.000) 2.834 4.228 ( 0.356 -2.874 -0.000) 2.896 4.582 ( 3.015 2.120 -0.000) 3.686 4.629 ( 3.495 2.624 -0.000) 4.370 5.034 ( 1.467 6.078 0.000) 6.252 5.065 ( 2.372 -1.451 -0.000) 2.781 5.200 ( 3.701 -0.257 -0.000) 3.710 5.350 ( 2.970 7.852 0.000) 8.395 5.554 ( 1.133 1.332 0.000) 1.748 5.718 ( 3.128 3.265 0.000) 4.522 5.851 ( -0.257 -2.331 -0.000) 2.345 5.937 ( 0.295 -2.964 -0.000) 2.979 6.141 ( -1.799 -2.411 -0.000) 3.008 6.169 ( -3.448 -2.237 0.000) 4.110 6.519 ( -0.737 -2.468 -0.000) 2.576 6.738 ( -2.196 1.388 0.000) 2.598 6.885 ( 1.140 -2.098 -0.000) 2.387 7.041 ( -6.626 -3.220 0.000) 7.367 7.105 ( -4.729 -0.760 0.000) 4.790 7.288 ( 0.476 -1.493 -0.000) 1.567 7.543 ( 3.130 -0.508 -0.000) 3.171 7.807 ( 0.740 4.153 0.000) 4.218 7.956 ( 4.168 -3.111 -0.000) 5.201 8.064 ( 0.165 1.037 0.000) 1.050 8.257 ( -2.977 0.073 0.000) 2.978 8.358 ( -3.738 1.237 0.000) 3.938 ======================= Grid point 172 (65/78) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 10.630 2.560 2.689) 11.259 1.449 ( 9.565 1.228 3.343) 10.206 1.653 ( -1.224 -0.437 -2.540) 2.853 1.848 ( 0.967 4.662 -3.809) 6.097 1.961 ( 6.344 2.176 3.236) 7.446 2.024 ( -0.737 -6.107 3.536) 7.095 2.312 ( -2.204 -2.152 -1.320) 3.352 2.448 ( -5.424 -2.528 -0.014) 5.984 2.655 ( 0.739 1.625 -3.567) 3.989 2.874 ( 5.399 -1.378 2.351) 6.047 2.939 ( 4.903 2.706 4.623) 7.262 3.025 ( -4.185 -0.876 -3.656) 5.626 3.261 ( -3.776 -2.905 4.716) 6.704 3.515 ( 4.146 -0.230 -4.469) 6.100 3.573 ( -4.823 1.347 3.916) 6.357 3.729 ( -9.636 1.079 -1.727) 9.849 4.089 ( -1.081 2.878 1.456) 3.401 4.170 ( 0.211 -3.026 -2.608) 4.001 4.611 ( 3.051 1.265 -0.343) 3.321 4.654 ( 2.272 2.185 -1.163) 3.360 5.026 ( 2.869 -3.849 0.420) 4.819 5.075 ( 2.964 -0.148 0.262) 2.979 5.186 ( 3.485 -1.591 0.311) 3.844 5.414 ( 2.212 0.671 -1.107) 2.563 5.562 ( -0.391 2.324 -2.672) 3.563 5.710 ( 2.277 -1.310 -4.529) 5.236 5.818 ( 1.571 0.596 -0.043) 1.681 5.910 ( 0.379 0.864 -2.294) 2.480 6.113 ( -0.836 -2.154 4.610) 5.157 6.212 ( -4.052 1.741 2.290) 4.969 6.524 ( -0.891 1.265 1.702) 2.300 6.752 ( -0.613 -0.454 -0.225) 0.795 6.889 ( -0.898 0.756 2.334) 2.613 6.997 ( -5.525 -0.326 -0.105) 5.535 7.116 ( -5.231 -0.711 2.321) 5.767 7.293 ( -0.241 1.196 0.760) 1.437 7.530 ( 1.693 -0.204 -1.646) 2.370 7.824 ( 2.021 -2.522 -2.963) 4.385 7.908 ( 5.049 -0.233 2.170) 5.501 8.078 ( -0.435 0.964 -0.878) 1.374 8.246 ( -2.409 0.444 -2.050) 3.194 8.402 ( -4.224 -0.022 4.220) 5.971 ======================= Grid point 178 (66/78) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 0.790 0.558 -0.000) 0.967 1.494 ( 5.629 -0.663 -0.000) 5.668 1.643 ( -0.788 -0.223 0.000) 0.819 1.783 ( 1.021 2.594 0.000) 2.788 1.973 ( 5.877 1.869 -0.000) 6.167 2.157 ( 2.006 -1.951 -0.000) 2.798 2.358 ( -10.105 2.648 0.000) 10.446 2.402 ( -5.213 -0.942 0.000) 5.297 2.670 ( -0.956 -4.605 -0.000) 4.703 2.823 ( 6.044 -4.885 -0.000) 7.771 2.936 ( -0.635 4.138 0.000) 4.187 3.039 ( -5.095 3.484 0.000) 6.173 3.321 ( 6.496 -2.641 -0.000) 7.013 3.328 ( -4.135 2.123 0.000) 4.648 3.604 ( 3.642 1.826 -0.000) 4.074 3.732 ( -7.429 -6.708 0.000) 10.009 4.016 ( 2.016 1.217 -0.000) 2.355 4.249 ( -1.965 -1.251 0.000) 2.330 4.611 ( 3.791 1.057 -0.000) 3.936 4.665 ( 4.010 0.424 -0.000) 4.033 4.938 ( 3.421 9.747 0.000) 10.330 5.080 ( 1.466 3.124 0.000) 3.451 5.239 ( 3.182 6.711 0.000) 7.427 5.304 ( 5.155 1.404 -0.000) 5.343 5.582 ( 2.382 -0.900 -0.000) 2.547 5.696 ( 1.856 3.796 0.000) 4.225 5.874 ( -0.887 -1.723 -0.000) 1.938 5.986 ( 0.365 -2.573 -0.000) 2.599 6.077 ( -6.205 -0.023 0.000) 6.205 6.205 ( -2.844 -5.271 -0.000) 5.989 6.589 ( 2.313 -4.204 -0.000) 4.799 6.680 ( -4.596 -1.293 0.000) 4.774 6.921 ( 1.352 0.539 -0.000) 1.456 7.011 ( -5.470 -3.962 0.000) 6.754 7.053 ( -4.561 -2.891 0.000) 5.401 7.314 ( -3.205 -4.772 -0.000) 5.749 7.582 ( 2.396 1.975 -0.000) 3.105 7.772 ( 2.917 2.915 -0.000) 4.124 7.959 ( 1.246 6.058 0.000) 6.185 8.105 ( 2.061 0.221 -0.000) 2.073 8.230 ( -1.330 -3.069 -0.000) 3.345 8.315 ( -2.280 -1.767 0.000) 2.884 ======================= Grid point 180 (67/78) ======================= q-point: (-0.38 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 6.782 -1.355 1.197) 7.019 1.523 ( 3.802 1.601 1.498) 4.389 1.638 ( -0.826 0.080 -1.298) 1.541 1.794 ( -0.084 2.283 -3.247) 3.970 2.044 ( 6.680 1.809 4.737) 8.386 2.131 ( 2.819 -4.902 1.904) 5.967 2.312 ( -7.105 -0.993 -5.389) 8.972 2.382 ( -1.228 -0.784 0.345) 1.497 2.643 ( 0.304 0.117 -2.453) 2.475 2.791 ( -2.638 2.485 2.819) 4.591 2.933 ( -4.733 -0.325 -4.027) 6.223 3.057 ( -4.848 -3.678 1.699) 6.318 3.335 ( 8.384 -2.935 9.724) 13.170 3.450 ( -4.849 3.793 4.767) 7.787 3.575 ( -0.589 -1.120 -2.775) 3.050 3.644 ( -1.585 -0.834 -3.917) 4.307 4.063 ( 2.990 2.897 1.395) 4.391 4.204 ( -0.727 -1.369 -3.582) 3.902 4.630 ( 3.232 1.945 -0.348) 3.788 4.672 ( 2.778 0.649 -0.623) 2.920 5.064 ( 2.291 6.119 0.871) 6.592 5.100 ( 2.759 -0.128 0.320) 2.780 5.274 ( 7.223 0.310 -1.396) 7.363 5.378 ( 1.361 7.815 -0.796) 7.973 5.538 ( 0.602 -0.229 -3.994) 4.046 5.726 ( 1.568 2.321 -3.027) 4.124 5.836 ( -0.929 -1.519 -0.296) 1.805 5.955 ( 1.690 -4.456 -0.655) 4.810 6.086 ( -4.390 1.361 1.386) 4.801 6.162 ( -3.999 -3.947 4.348) 7.105 6.538 ( 1.428 -2.107 2.043) 3.264 6.713 ( -3.892 0.507 2.969) 4.922 6.895 ( -1.582 -3.511 -2.037) 4.356 6.954 ( -2.716 -2.138 1.549) 3.788 7.054 ( -5.511 -1.268 2.855) 6.335 7.267 ( -2.960 -1.662 0.284) 3.407 7.572 ( 3.648 0.786 -3.438) 5.074 7.837 ( 1.579 3.007 0.148) 3.400 7.987 ( 4.126 1.706 -1.263) 4.640 8.093 ( 2.170 -1.789 -1.193) 3.055 8.195 ( -3.820 -0.710 -1.107) 4.040 8.342 ( -2.816 0.492 5.466) 6.168 ======================= Grid point 181 (68/78) ======================= q-point: (-0.25 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 4.723 0.380 1.515) 4.975 1.554 ( -0.512 0.301 -1.738) 1.837 1.604 ( 2.882 0.398 -1.129) 3.120 1.794 ( 0.125 4.111 -3.009) 5.096 2.005 ( -1.112 -5.968 -4.147) 7.352 2.138 ( 3.301 -0.109 4.863) 5.879 2.266 ( -3.076 -0.334 -1.561) 3.465 2.417 ( 4.852 2.134 2.986) 6.084 2.629 ( -0.102 2.589 -0.578) 2.654 2.808 ( -5.440 -4.738 -4.967) 8.759 2.930 ( -4.103 2.656 5.759) 7.553 3.049 ( -5.862 -1.813 4.581) 7.658 3.398 ( -1.041 -0.921 -4.513) 4.722 3.471 ( 6.328 0.367 3.307) 7.149 3.580 ( 1.881 0.188 -2.386) 3.044 3.653 ( -3.137 0.949 7.630) 8.304 4.048 ( 0.022 1.580 -8.731) 8.873 4.176 ( 1.404 -1.677 3.997) 4.557 4.642 ( 2.686 -0.349 -1.241) 2.979 4.664 ( 1.401 1.529 -1.100) 2.348 5.089 ( 4.570 -1.711 0.898) 4.961 5.138 ( 3.549 0.582 1.542) 3.913 5.247 ( 5.729 -0.676 -1.481) 5.956 5.423 ( 1.407 -1.204 -1.645) 2.477 5.475 ( -0.769 2.579 -5.914) 6.497 5.682 ( 1.461 -1.411 -2.823) 3.477 5.815 ( -2.328 -1.441 -1.146) 2.968 5.906 ( 3.841 3.393 -1.271) 5.280 6.125 ( -4.380 -1.165 1.808) 4.880 6.192 ( -4.912 0.472 2.436) 5.503 6.598 ( 2.558 -0.565 7.618) 8.056 6.741 ( -2.369 -1.288 1.055) 2.896 6.829 ( -4.156 2.038 -2.832) 5.426 7.003 ( -1.756 1.179 4.913) 5.349 7.073 ( -4.863 -1.423 2.610) 5.700 7.272 ( -4.326 0.494 1.169) 4.508 7.511 ( 2.942 -0.229 -5.329) 6.092 7.819 ( 3.081 -1.696 -1.992) 4.042 8.012 ( 2.702 1.265 -0.307) 2.999 8.053 ( 1.174 -0.345 -1.531) 1.960 8.180 ( -2.685 0.450 0.339) 2.743 8.448 ( -1.095 -0.153 7.351) 7.434 ======================= Grid point 186 (69/78) ======================= q-point: ( 0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -4.399 8.213 0.000) 9.317 1.449 ( -2.576 10.339 0.000) 10.656 1.663 ( 0.654 -1.412 -0.000) 1.556 1.866 ( 7.676 -3.093 -0.000) 8.276 1.956 ( -1.883 2.790 0.000) 3.366 2.044 ( -10.808 5.841 0.000) 12.286 2.308 ( 0.265 -2.622 -0.000) 2.635 2.384 ( 2.286 -3.320 -0.000) 4.030 2.719 ( -1.067 -1.300 -0.000) 1.682 2.794 ( 2.213 17.032 0.000) 17.175 2.996 ( 2.124 -5.314 -0.000) 5.723 3.008 ( -1.281 -3.082 -0.000) 3.337 3.191 ( 0.437 -2.536 -0.000) 2.573 3.517 ( 2.715 -4.755 -0.000) 5.476 3.573 ( -0.588 2.853 0.000) 2.913 3.774 ( -3.832 -10.052 -0.000) 10.758 4.055 ( 2.866 -1.476 -0.000) 3.224 4.214 ( -3.256 0.219 0.000) 3.263 4.624 ( 0.431 2.526 0.000) 2.562 4.684 ( -0.565 1.020 0.000) 1.167 4.928 ( 8.595 3.786 -0.000) 9.392 5.048 ( 2.266 3.731 0.000) 4.365 5.165 ( 1.120 5.468 0.000) 5.582 5.385 ( 5.693 0.990 -0.000) 5.778 5.597 ( -0.614 0.990 0.000) 1.165 5.699 ( 3.987 1.921 -0.000) 4.426 5.867 ( -2.168 0.096 0.000) 2.170 5.967 ( -5.535 1.023 0.000) 5.629 6.035 ( 1.026 -1.804 -0.000) 2.076 6.236 ( -2.203 -4.106 -0.000) 4.659 6.578 ( -6.172 -0.833 0.000) 6.228 6.731 ( 2.795 -3.350 -0.000) 4.362 6.890 ( -2.328 1.546 0.000) 2.794 7.014 ( -2.228 -5.789 -0.000) 6.203 7.084 ( -0.063 -4.652 -0.000) 4.652 7.319 ( -3.220 -1.508 0.000) 3.555 7.550 ( -0.285 3.112 0.000) 3.125 7.817 ( 3.335 -1.493 -0.000) 3.654 7.866 ( 1.197 8.195 0.000) 8.282 8.096 ( -0.768 0.179 0.000) 0.789 8.269 ( 0.160 -1.493 -0.000) 1.502 8.360 ( 0.722 -5.147 -0.000) 5.197 ======================= Grid point 187 (70/78) ======================= q-point: ( 0.50 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -1.163 4.925 0.829) 5.128 1.554 ( 0.913 1.768 1.127) 2.287 1.628 ( -0.194 -0.398 -1.036) 1.127 1.822 ( 4.064 -2.490 -0.980) 4.866 2.038 ( -0.460 5.729 1.512) 5.942 2.126 ( -6.764 5.838 -2.327) 9.233 2.248 ( 2.737 -3.459 -0.288) 4.420 2.389 ( -1.185 -0.008 3.143) 3.358 2.659 ( -0.327 -2.565 -0.675) 2.672 2.831 ( 4.284 -3.633 -6.951) 8.937 2.930 ( -0.943 -5.100 -0.305) 5.195 3.005 ( -4.241 -1.281 4.082) 6.024 3.303 ( -2.289 8.328 7.969) 11.751 3.483 ( 3.334 -4.175 6.491) 8.407 3.585 ( -1.510 -1.213 -5.374) 5.712 3.645 ( -1.119 -2.662 -1.537) 3.271 4.080 ( 3.449 1.634 3.095) 4.913 4.185 ( -1.844 0.873 -5.453) 5.822 4.647 ( 1.987 1.876 -1.205) 2.987 4.691 ( -0.028 0.477 -0.387) 0.615 5.014 ( 5.041 6.225 1.460) 8.142 5.107 ( 1.704 3.212 0.835) 3.731 5.256 ( 0.999 8.142 -1.233) 8.295 5.386 ( 6.561 0.778 -1.520) 6.780 5.565 ( 0.150 -1.375 -3.903) 4.141 5.712 ( 2.169 2.709 -2.939) 4.547 5.834 ( -2.047 -1.430 -1.519) 2.923 5.984 ( -5.195 1.526 0.018) 5.414 6.052 ( 1.942 -3.409 4.401) 5.896 6.180 ( -2.920 -4.935 2.192) 6.139 6.553 ( -2.439 0.193 -0.182) 2.453 6.706 ( 0.319 -3.890 3.560) 5.283 6.905 ( -3.379 -2.543 -1.591) 4.518 6.958 ( -1.923 -1.362 2.750) 3.622 7.033 ( -1.379 -5.321 2.794) 6.166 7.274 ( -1.843 -3.883 0.240) 4.305 7.576 ( 0.989 3.806 -4.007) 5.614 7.814 ( 2.417 2.841 -1.032) 3.870 7.983 ( 2.569 5.854 0.975) 6.467 8.097 ( -2.037 0.224 -1.519) 2.551 8.211 ( -0.644 -3.871 -2.055) 4.430 8.336 ( 0.448 -2.728 5.915) 6.529 ======================= Grid point 188 (71/78) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 1.863 1.604 -1.422) 2.840 1.542 ( -0.956 -0.680 -2.319) 2.599 1.634 ( 0.098 -0.188 0.536) 0.577 1.781 ( 4.610 1.359 -1.748) 5.114 2.047 ( -7.327 1.237 -7.050) 10.243 2.097 ( -2.060 -6.779 -1.833) 7.318 2.278 ( 3.330 4.495 4.805) 7.374 2.483 ( 6.894 4.108 4.436) 9.170 2.617 ( 1.943 -1.207 -3.851) 4.479 2.745 ( -4.959 0.675 -0.961) 5.096 2.888 ( -1.264 -3.251 5.548) 6.554 3.003 ( -7.291 -6.176 5.416) 10.983 3.368 ( -3.674 -3.809 -9.960) 11.279 3.571 ( 1.642 3.405 2.588) 4.582 3.584 ( 2.446 1.884 8.076) 8.647 3.619 ( 1.469 -0.002 3.770) 4.046 4.045 ( 0.645 -0.120 -10.923) 10.942 4.194 ( 1.491 2.303 4.377) 5.165 4.653 ( 1.736 1.749 -1.294) 2.783 4.683 ( 0.341 -0.391 -0.915) 1.052 5.125 ( 2.911 4.957 1.863) 6.043 5.156 ( 2.589 1.208 1.601) 3.276 5.329 ( 3.759 4.691 -4.362) 7.427 5.381 ( 3.600 3.519 -1.269) 5.191 5.481 ( 0.198 -1.148 -4.044) 4.208 5.690 ( -0.145 0.726 -3.475) 3.553 5.799 ( -2.225 -1.104 -1.219) 2.767 5.974 ( 2.561 -2.310 -1.171) 3.642 6.052 ( -3.181 0.333 1.608) 3.580 6.159 ( -3.734 -4.234 2.239) 6.073 6.631 ( 1.194 1.831 7.558) 7.868 6.704 ( -3.472 -2.800 3.005) 5.378 6.812 ( -1.421 -2.780 -3.750) 4.879 6.987 ( 0.159 -1.887 3.705) 4.161 7.038 ( -4.576 -2.252 4.467) 6.780 7.232 ( -2.030 -2.332 0.295) 3.106 7.540 ( 1.863 1.844 -6.372) 6.890 7.845 ( 2.118 3.380 -1.340) 4.208 8.035 ( 1.480 -1.302 -1.818) 2.682 8.051 ( -1.428 0.654 -3.125) 3.498 8.165 ( -0.491 -0.861 3.229) 3.378 8.437 ( 0.491 0.614 8.524) 8.560 ======================= Grid point 189 (72/78) ======================= q-point: (-0.25 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -0.485 0.939 -8.151) 8.219 1.449 ( -1.466 -0.965 -8.584) 8.761 1.645 ( 0.384 -0.012 1.408) 1.460 1.812 ( 5.562 2.127 0.021) 5.954 1.912 ( -1.083 -2.854 -4.602) 5.523 2.036 ( -9.576 0.734 -1.164) 9.674 2.392 ( 7.372 -1.459 5.701) 9.432 2.535 ( 4.171 4.084 -0.753) 5.886 2.610 ( -3.396 -1.652 -0.581) 3.821 2.735 ( 0.253 -1.008 3.139) 3.307 3.005 ( -1.304 -0.037 9.365) 9.456 3.037 ( -4.742 -0.457 4.486) 6.544 3.152 ( -6.903 0.630 -11.412) 13.352 3.457 ( 3.026 -0.001 -14.202) 14.521 3.738 ( 5.136 -0.947 7.892) 9.464 3.778 ( 1.238 0.918 9.640) 9.762 3.905 ( -3.881 0.073 -4.295) 5.789 4.267 ( 2.669 -0.119 2.881) 3.929 4.653 ( 1.289 -0.890 -1.136) 1.935 4.660 ( 0.371 0.982 -1.149) 1.557 5.176 ( 4.791 -0.354 1.241) 4.962 5.203 ( 1.645 0.301 1.779) 2.442 5.277 ( 3.801 -0.050 -5.713) 6.862 5.400 ( 3.127 -0.028 -2.297) 3.880 5.436 ( 0.478 0.265 -0.997) 1.137 5.640 ( -2.669 -0.365 -2.650) 3.779 5.749 ( -0.943 -0.327 -3.971) 4.094 5.961 ( 4.950 1.690 0.179) 5.234 6.075 ( -4.037 -1.991 0.731) 4.560 6.136 ( -5.905 0.860 0.931) 6.040 6.667 ( -0.410 -0.059 -3.704) 3.727 6.723 ( -3.477 -0.189 0.614) 3.535 6.843 ( 3.033 0.021 10.585) 11.011 7.029 ( -1.426 2.131 1.574) 3.009 7.057 ( -3.968 -2.061 2.691) 5.218 7.219 ( -3.520 0.207 0.022) 3.526 7.455 ( 1.441 -0.067 -6.587) 6.743 7.866 ( 4.266 -0.174 1.224) 4.442 7.985 ( -0.368 -0.511 -1.762) 1.871 8.016 ( -3.044 0.650 -1.404) 3.414 8.238 ( 1.844 0.022 5.122) 5.444 8.567 ( 1.442 -0.022 7.887) 8.018 ======================= Grid point 197 (73/78) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -0.000 -0.000 -15.664) 15.664 1.254 ( -0.000 -0.000 -15.664) 15.664 1.662 ( 0.000 0.000 0.597) 0.597 1.860 ( -0.000 -0.000 -1.667) 1.667 1.860 ( -0.000 -0.000 -1.667) 1.667 1.992 ( 0.000 0.000 6.155) 6.155 2.543 ( -0.000 -0.000 -0.232) 0.232 2.543 ( -0.000 -0.000 -0.232) 0.232 2.568 ( 0.000 0.000 4.537) 4.537 2.637 ( -0.000 -0.000 -20.342) 20.342 2.977 ( 0.000 0.000 3.008) 3.008 3.150 ( 0.000 0.000 10.364) 10.364 3.150 ( 0.000 0.000 10.364) 10.364 3.237 ( -0.000 -0.000 -17.002) 17.002 3.777 ( -0.000 -0.000 -3.495) 3.495 3.931 ( 0.000 0.000 8.517) 8.517 3.931 ( 0.000 0.000 8.517) 8.517 4.311 ( 0.000 0.000 0.448) 0.448 4.647 ( -0.000 -0.000 -0.821) 0.821 4.647 ( -0.000 -0.000 -0.821) 0.821 5.201 ( -0.000 -0.000 -7.125) 7.125 5.239 ( 0.000 0.000 1.572) 1.572 5.239 ( 0.000 0.000 1.572) 1.572 5.428 ( -0.000 -0.000 -0.722) 0.722 5.428 ( -0.000 -0.000 -0.722) 0.722 5.548 ( -0.000 -0.000 -4.308) 4.308 5.673 ( -0.000 -0.000 -5.627) 5.627 6.054 ( 0.000 0.000 0.401) 0.401 6.054 ( 0.000 0.000 0.401) 0.401 6.062 ( 0.000 0.000 2.357) 2.357 6.577 ( -0.000 -0.000 -6.808) 6.808 6.730 ( 0.000 0.000 2.933) 2.933 7.005 ( -0.000 -0.000 -3.088) 3.088 7.005 ( -0.000 -0.000 -3.088) 3.088 7.051 ( 0.000 0.000 10.616) 10.616 7.195 ( 0.000 0.000 0.515) 0.515 7.378 ( -0.000 -0.000 -4.748) 4.748 7.961 ( 0.000 0.000 5.169) 5.169 7.977 ( 0.000 0.000 1.206) 1.206 7.977 ( 0.000 0.000 1.206) 1.206 8.318 ( 0.000 0.000 3.489) 3.489 8.693 ( 0.000 0.000 6.961) 6.961 ======================= Grid point 242 (74/78) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 7.457 0.816 -0.000) 7.502 1.537 ( 4.890 1.464 -0.000) 5.104 1.646 ( -1.981 -0.699 0.000) 2.101 1.862 ( -3.160 1.254 0.000) 3.400 2.041 ( 7.554 -1.090 -0.000) 7.632 2.062 ( 8.908 2.210 -0.000) 9.178 2.294 ( -1.577 -3.202 -0.000) 3.569 2.361 ( -4.302 -2.260 0.000) 4.859 2.670 ( -4.033 0.808 0.000) 4.113 2.853 ( -1.688 7.029 0.000) 7.229 2.923 ( -6.494 -2.176 0.000) 6.849 3.022 ( -5.501 -4.801 0.000) 7.301 3.218 ( 8.520 -0.760 -0.000) 8.554 3.443 ( -4.967 1.126 0.000) 5.093 3.590 ( -4.558 1.228 0.000) 4.720 3.671 ( 2.929 -0.728 -0.000) 3.019 4.064 ( 1.388 0.463 -0.000) 1.463 4.228 ( 2.566 -0.496 -0.000) 2.613 4.661 ( 2.960 1.494 -0.000) 3.315 4.688 ( 1.169 0.503 -0.000) 1.273 5.069 ( 3.630 -3.503 -0.000) 5.044 5.106 ( 2.230 0.989 -0.000) 2.440 5.279 ( 8.248 -0.823 -0.000) 8.289 5.460 ( 2.422 0.337 -0.000) 2.445 5.570 ( -1.350 1.531 0.000) 2.041 5.772 ( 1.397 -1.492 -0.000) 2.044 5.843 ( -0.105 1.089 0.000) 1.094 5.922 ( 0.853 1.180 0.000) 1.456 6.042 ( -2.587 -4.169 -0.000) 4.907 6.123 ( -5.901 3.116 0.000) 6.673 6.510 ( 1.313 1.511 0.000) 2.002 6.706 ( -5.372 -0.632 0.000) 5.409 6.874 ( 0.929 0.443 -0.000) 1.029 6.924 ( -4.553 -0.452 0.000) 4.575 7.018 ( -5.618 -0.835 0.000) 5.679 7.255 ( -3.431 0.355 0.000) 3.449 7.610 ( 5.330 0.528 -0.000) 5.356 7.855 ( 2.261 -0.949 -0.000) 2.452 8.003 ( 6.564 -1.104 -0.000) 6.656 8.085 ( 0.881 0.434 -0.000) 0.982 8.223 ( -3.449 1.886 0.000) 3.931 8.286 ( -5.908 -1.059 0.000) 6.002 ======================= Grid point 250 (75/78) ======================= q-point: ( 0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 2.434 2.464 0.000) 3.464 1.549 ( 1.812 -0.090 -0.000) 1.814 1.631 ( -0.995 -0.003 0.000) 0.995 1.824 ( 0.750 0.317 -0.000) 0.815 2.098 ( 4.445 4.350 -0.000) 6.219 2.176 ( 2.881 -1.289 -0.000) 3.156 2.261 ( -4.442 0.579 0.000) 4.480 2.382 ( 1.285 3.827 0.000) 4.037 2.585 ( -1.685 -3.105 -0.000) 3.533 2.823 ( -1.872 -5.297 -0.000) 5.618 2.885 ( -1.016 -4.449 -0.000) 4.564 2.952 ( -7.778 -1.158 0.000) 7.864 3.343 ( -1.605 5.379 0.000) 5.613 3.362 ( 4.533 -2.629 -0.000) 5.240 3.548 ( -4.101 -4.500 -0.000) 6.088 3.709 ( 2.762 2.882 0.000) 3.992 4.077 ( 2.523 2.279 -0.000) 3.400 4.253 ( 1.238 1.558 0.000) 1.990 4.675 ( 2.203 1.147 -0.000) 2.484 4.700 ( 0.392 0.159 -0.000) 0.424 5.089 ( 2.490 4.962 0.000) 5.552 5.127 ( 1.579 0.679 -0.000) 1.719 5.397 ( 0.665 7.798 0.000) 7.826 5.408 ( 8.306 1.533 -0.000) 8.446 5.572 ( -1.106 -2.211 -0.000) 2.472 5.771 ( 1.383 2.457 0.000) 2.820 5.840 ( -0.774 -1.362 -0.000) 1.567 5.957 ( 0.798 -2.754 -0.000) 2.867 6.002 ( -4.400 2.016 0.000) 4.840 6.080 ( -2.689 -5.807 -0.000) 6.400 6.579 ( 3.850 -3.697 -0.000) 5.338 6.600 ( -5.893 1.260 0.000) 6.027 6.891 ( -2.386 -2.201 0.000) 3.246 6.920 ( -0.270 -2.586 -0.000) 2.600 6.947 ( -4.599 -2.017 0.000) 5.022 7.226 ( -2.025 -2.228 -0.000) 3.011 7.657 ( 2.873 2.351 -0.000) 3.713 7.871 ( 3.359 4.504 0.000) 5.619 8.048 ( 2.886 1.929 -0.000) 3.472 8.128 ( -3.499 2.462 0.000) 4.278 8.168 ( 2.684 -4.992 -0.000) 5.668 8.234 ( -4.451 -2.289 0.000) 5.005 ======================= Grid point 252 (76/78) ======================= q-point: (-0.38 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 4.672 -0.021 0.247) 4.679 1.561 ( -0.771 0.430 -0.547) 1.038 1.625 ( -0.778 -0.242 0.102) 0.822 1.826 ( 0.222 0.496 -0.547) 0.771 2.100 ( 1.927 -0.783 -6.278) 6.613 2.127 ( -0.339 0.447 -2.588) 2.648 2.260 ( 1.422 -0.636 1.378) 2.080 2.449 ( 9.386 0.428 5.677) 10.977 2.626 ( -2.459 -0.277 2.838) 3.765 2.770 ( -8.871 0.341 -0.635) 8.900 2.841 ( -1.807 2.040 -2.054) 3.413 2.893 ( -7.450 -2.293 -1.351) 7.911 3.408 ( 5.089 -1.223 7.480) 9.129 3.452 ( -1.155 1.860 4.066) 4.618 3.492 ( -4.525 -0.550 1.132) 4.697 3.695 ( 3.222 0.021 -4.266) 5.346 4.136 ( 2.766 0.229 4.354) 5.164 4.205 ( 1.499 -0.254 -7.870) 8.016 4.685 ( 1.212 0.446 -0.725) 1.481 4.691 ( 0.351 -0.148 -0.791) 0.878 5.130 ( 3.337 -1.314 1.258) 3.801 5.145 ( 1.478 0.964 1.525) 2.332 5.389 ( 8.095 -0.295 -1.976) 8.338 5.475 ( 1.651 -0.269 -1.914) 2.542 5.518 ( -2.184 0.751 -3.117) 3.879 5.750 ( 0.011 -0.032 -4.936) 4.936 5.804 ( -1.417 -0.406 -0.944) 1.751 5.964 ( 3.062 0.935 0.899) 3.325 6.034 ( -3.328 -1.530 2.025) 4.185 6.071 ( -4.404 1.006 4.278) 6.221 6.553 ( 1.990 0.220 2.439) 3.155 6.645 ( -4.666 -0.278 2.630) 5.364 6.849 ( -0.891 0.109 -2.845) 2.983 6.920 ( -0.522 0.772 3.617) 3.735 6.958 ( -4.832 -0.885 2.739) 5.625 7.213 ( -2.414 0.057 0.212) 2.424 7.640 ( 3.230 0.121 -4.597) 5.620 7.898 ( 4.128 -0.588 -1.769) 4.529 8.054 ( 2.202 1.895 -0.922) 3.048 8.090 ( 0.085 -2.664 -1.752) 3.189 8.132 ( -4.141 1.300 -1.442) 4.574 8.309 ( -1.411 -0.102 9.033) 9.143 ======================= Grid point 260 (77/78) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.000 -0.000 -3.368) 3.368 1.527 ( -0.000 -0.000 -3.368) 3.368 1.625 ( 0.000 0.000 1.252) 1.252 1.860 ( 0.000 0.000 2.773) 2.773 1.999 ( -0.000 -0.000 -7.633) 7.633 1.999 ( -0.000 -0.000 -7.633) 7.633 2.358 ( 0.000 0.000 6.192) 6.192 2.624 ( -0.000 -0.000 -3.328) 3.328 2.624 ( -0.000 -0.000 -3.328) 3.328 2.675 ( 0.000 0.000 4.934) 4.934 2.856 ( 0.000 0.000 7.516) 7.516 2.856 ( 0.000 0.000 7.516) 7.516 3.307 ( -0.000 -0.000 -12.051) 12.051 3.616 ( 0.000 0.000 11.998) 11.998 3.616 ( 0.000 0.000 11.998) 11.998 3.636 ( -0.000 -0.000 -7.381) 7.381 4.042 ( -0.000 -0.000 -13.642) 13.642 4.234 ( 0.000 0.000 4.678) 4.678 4.679 ( -0.000 -0.000 -1.136) 1.136 4.679 ( -0.000 -0.000 -1.136) 1.136 5.184 ( 0.000 0.000 2.098) 2.098 5.184 ( 0.000 0.000 2.098) 2.098 5.401 ( -0.000 -0.000 -5.755) 5.755 5.460 ( -0.000 -0.000 -1.886) 1.886 5.460 ( -0.000 -0.000 -1.886) 1.886 5.662 ( -0.000 -0.000 -4.632) 4.632 5.785 ( -0.000 -0.000 -1.389) 1.389 6.027 ( 0.000 0.000 1.332) 1.332 6.027 ( 0.000 0.000 1.332) 1.332 6.055 ( -0.000 -0.000 -0.058) 0.058 6.639 ( 0.000 0.000 5.362) 5.362 6.663 ( 0.000 0.000 5.343) 5.343 6.797 ( -0.000 -0.000 -2.668) 2.668 6.976 ( 0.000 0.000 4.140) 4.140 6.976 ( 0.000 0.000 4.140) 4.140 7.195 ( -0.000 -0.000 -0.043) 0.043 7.573 ( -0.000 -0.000 -7.301) 7.301 7.905 ( -0.000 -0.000 -1.429) 1.429 8.024 ( -0.000 -0.000 -3.524) 3.524 8.024 ( -0.000 -0.000 -3.524) 3.524 8.168 ( 0.000 0.000 5.725) 5.725 8.445 ( 0.000 0.000 9.739) 9.739 ======================= Grid point 322 (78/78) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.00e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -0.000 0.000 0.000) 0.000 1.557 ( 0.000 0.000 -0.000) 0.000 1.605 ( 0.000 -0.000 -0.000) 0.000 1.825 ( 0.000 -0.000 -0.000) 0.000 2.170 ( 0.000 -0.000 -0.000) 0.000 2.170 ( 0.000 0.000 -0.000) 0.000 2.258 ( 0.000 -0.000 -0.000) 0.000 2.549 ( -0.000 -0.000 -0.000) 0.000 2.549 ( 0.000 -0.000 -0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 -0.000) 0.000 2.876 ( 0.000 0.000 -0.000) 0.000 3.377 ( 0.000 -0.000 -0.000) 0.000 3.377 ( 0.000 0.000 -0.000) 0.000 3.482 ( 0.000 -0.000 -0.000) 0.000 3.754 ( 0.000 -0.000 -0.000) 0.000 4.120 ( 0.000 0.000 -0.000) 0.000 4.283 ( 0.000 0.000 -0.000) 0.000 4.699 ( 0.000 -0.000 -0.000) 0.000 4.699 ( 0.000 -0.000 -0.000) 0.000 5.145 ( 0.000 -0.000 -0.000) 0.000 5.145 ( 0.000 0.000 -0.000) 0.000 5.491 ( 0.000 -0.000 -0.000) 0.000 5.504 ( -0.000 -0.000 -0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 -0.000 -0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 -0.000) 0.000 5.999 ( 0.000 -0.000 -0.000) 0.000 5.999 ( 0.000 0.000 -0.000) 0.000 6.552 ( 0.000 -0.000 -0.000) 0.000 6.593 ( 0.000 -0.000 -0.000) 0.000 6.863 ( 0.000 -0.000 -0.000) 0.000 6.892 ( 0.000 -0.000 -0.000) 0.000 6.892 ( 0.000 0.000 -0.000) 0.000 7.195 ( 0.000 -0.000 -0.000) 0.000 7.701 ( 0.000 -0.000 -0.000) 0.000 7.954 ( 0.000 0.000 -0.000) 0.000 8.090 ( -0.000 -0.000 -0.000) 0.000 8.090 ( 0.000 0.000 -0.000) 0.000 8.157 ( 0.000 0.000 -0.000) 0.000 8.174 ( 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 3/21504 10.0 671.742 671.742 792.182 0.000 0.000 0.000 3/21504 20.0 107.249 107.249 137.759 0.000 0.000 0.000 3/21504 30.0 40.400 40.400 52.527 0.000 0.000 0.000 3/21504 40.0 20.929 20.929 27.383 0.000 0.000 0.000 3/21504 50.0 12.935 12.935 16.969 0.000 0.000 0.000 3/21504 60.0 8.970 8.970 11.766 0.000 0.000 0.000 3/21504 70.0 6.733 6.733 8.819 0.000 0.000 0.000 3/21504 80.0 5.346 5.346 6.986 0.000 0.000 0.000 3/21504 90.0 4.420 4.420 5.762 0.000 0.000 0.000 3/21504 100.0 3.765 3.765 4.898 0.000 0.000 0.000 3/21504 110.0 3.280 3.280 4.258 0.000 0.000 0.000 3/21504 120.0 2.909 2.909 3.769 0.000 0.000 0.000 3/21504 130.0 2.615 2.615 3.382 0.000 0.000 0.000 3/21504 140.0 2.376 2.376 3.070 0.000 0.000 0.000 3/21504 150.0 2.180 2.180 2.812 0.000 0.000 0.000 3/21504 160.0 2.014 2.014 2.596 0.000 0.000 0.000 3/21504 170.0 1.873 1.873 2.411 0.000 0.000 0.000 3/21504 180.0 1.751 1.751 2.252 0.000 0.000 0.000 3/21504 190.0 1.644 1.644 2.114 0.000 0.000 0.000 3/21504 200.0 1.551 1.551 1.992 0.000 0.000 0.000 3/21504 210.0 1.467 1.467 1.884 0.000 0.000 0.000 3/21504 220.0 1.393 1.393 1.787 0.000 0.000 0.000 3/21504 230.0 1.326 1.326 1.701 0.000 0.000 0.000 3/21504 240.0 1.265 1.265 1.622 0.000 0.000 0.000 3/21504 250.0 1.210 1.210 1.551 0.000 0.000 0.000 3/21504 260.0 1.160 1.160 1.486 0.000 0.000 0.000 3/21504 270.0 1.113 1.113 1.426 0.000 0.000 0.000 3/21504 280.0 1.071 1.071 1.371 0.000 0.000 0.000 3/21504 290.0 1.031 1.031 1.320 0.000 0.000 0.000 3/21504 300.0 0.995 0.995 1.273 0.000 0.000 0.000 3/21504 310.0 0.961 0.961 1.229 0.000 0.000 0.000 3/21504 320.0 0.929 0.929 1.189 0.000 0.000 0.000 3/21504 330.0 0.900 0.900 1.151 0.000 0.000 0.000 3/21504 340.0 0.872 0.872 1.115 0.000 0.000 0.000 3/21504 350.0 0.846 0.846 1.081 0.000 0.000 0.000 3/21504 360.0 0.821 0.821 1.050 0.000 0.000 0.000 3/21504 370.0 0.798 0.798 1.020 0.000 0.000 0.000 3/21504 380.0 0.776 0.776 0.992 0.000 0.000 0.000 3/21504 390.0 0.756 0.756 0.966 0.000 0.000 0.000 3/21504 400.0 0.736 0.736 0.941 0.000 0.000 0.000 3/21504 410.0 0.718 0.718 0.917 0.000 0.000 0.000 3/21504 420.0 0.700 0.700 0.894 0.000 0.000 0.000 3/21504 430.0 0.683 0.683 0.873 0.000 0.000 0.000 3/21504 440.0 0.667 0.667 0.852 0.000 0.000 0.000 3/21504 450.0 0.652 0.652 0.833 0.000 0.000 0.000 3/21504 460.0 0.638 0.638 0.814 0.000 0.000 0.000 3/21504 470.0 0.624 0.624 0.796 0.000 0.000 0.000 3/21504 480.0 0.610 0.610 0.779 0.000 0.000 0.000 3/21504 490.0 0.598 0.598 0.763 0.000 0.000 0.000 3/21504 500.0 0.585 0.585 0.747 0.000 0.000 0.000 3/21504 510.0 0.574 0.574 0.732 0.000 0.000 0.000 3/21504 520.0 0.562 0.562 0.718 0.000 0.000 0.000 3/21504 530.0 0.552 0.552 0.704 0.000 0.000 0.000 3/21504 540.0 0.541 0.541 0.691 0.000 0.000 0.000 3/21504 550.0 0.531 0.531 0.678 0.000 0.000 0.000 3/21504 560.0 0.521 0.521 0.666 0.000 0.000 0.000 3/21504 570.0 0.512 0.512 0.654 0.000 0.000 0.000 3/21504 580.0 0.503 0.503 0.642 0.000 0.000 0.000 3/21504 590.0 0.495 0.495 0.631 0.000 0.000 0.000 3/21504 600.0 0.486 0.486 0.620 0.000 0.000 0.000 3/21504 610.0 0.478 0.478 0.610 0.000 0.000 0.000 3/21504 620.0 0.470 0.470 0.600 0.000 0.000 0.000 3/21504 630.0 0.463 0.463 0.590 0.000 0.000 0.000 3/21504 640.0 0.455 0.455 0.581 0.000 0.000 0.000 3/21504 650.0 0.448 0.448 0.572 0.000 0.000 0.000 3/21504 660.0 0.441 0.441 0.563 0.000 0.000 0.000 3/21504 670.0 0.435 0.435 0.555 0.000 0.000 0.000 3/21504 680.0 0.428 0.428 0.546 0.000 0.000 0.000 3/21504 690.0 0.422 0.422 0.538 0.000 0.000 0.000 3/21504 700.0 0.416 0.416 0.531 0.000 0.000 0.000 3/21504 710.0 0.410 0.410 0.523 0.000 0.000 0.000 3/21504 720.0 0.404 0.404 0.516 0.000 0.000 0.000 3/21504 730.0 0.399 0.399 0.509 0.000 0.000 0.000 3/21504 740.0 0.393 0.393 0.502 0.000 0.000 0.000 3/21504 750.0 0.388 0.388 0.495 0.000 0.000 0.000 3/21504 760.0 0.383 0.383 0.488 0.000 0.000 0.000 3/21504 770.0 0.378 0.378 0.482 0.000 0.000 0.000 3/21504 780.0 0.373 0.373 0.476 0.000 0.000 0.000 3/21504 790.0 0.368 0.368 0.470 0.000 0.000 0.000 3/21504 800.0 0.363 0.363 0.464 0.000 0.000 0.000 3/21504 810.0 0.359 0.359 0.458 0.000 0.000 0.000 3/21504 820.0 0.354 0.354 0.452 0.000 0.000 0.000 3/21504 830.0 0.350 0.350 0.447 0.000 0.000 0.000 3/21504 840.0 0.346 0.346 0.441 0.000 0.000 0.000 3/21504 850.0 0.342 0.342 0.436 0.000 0.000 0.000 3/21504 860.0 0.338 0.338 0.431 0.000 0.000 0.000 3/21504 870.0 0.334 0.334 0.426 0.000 0.000 0.000 3/21504 880.0 0.330 0.330 0.421 0.000 0.000 0.000 3/21504 890.0 0.326 0.326 0.416 0.000 0.000 0.000 3/21504 900.0 0.323 0.323 0.412 0.000 0.000 0.000 3/21504 910.0 0.319 0.319 0.407 0.000 0.000 0.000 3/21504 920.0 0.316 0.316 0.403 0.000 0.000 0.000 3/21504 930.0 0.312 0.312 0.398 0.000 0.000 0.000 3/21504 940.0 0.309 0.309 0.394 0.000 0.000 0.000 3/21504 950.0 0.306 0.306 0.390 0.000 0.000 0.000 3/21504 960.0 0.302 0.302 0.386 0.000 0.000 0.000 3/21504 970.0 0.299 0.299 0.382 0.000 0.000 0.000 3/21504 980.0 0.296 0.296 0.378 0.000 0.000 0.000 3/21504 990.0 0.293 0.293 0.374 0.000 0.000 0.000 3/21504 1000.0 0.290 0.290 0.370 0.000 0.000 0.000 3/21504 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:28:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|