----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:18:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.505056730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.665201130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.354691299999999 Atomic positions (fractional): *1 F 0.29525024939684 0.45088010181095 0.70207928471852 18.998 2 F 0.20474975060316 0.54911989818905 0.20207928471852 18.998 3 F 0.79525024939684 0.04911989818905 0.79792071528148 18.998 4 F 0.70474975060316 0.95088010181095 0.29792071528148 18.998 5 F 0.70474975060316 0.54911989818905 0.29792071528148 18.998 6 F 0.79525024939684 0.45088010181095 0.79792071528148 18.998 7 F 0.20474975060316 0.95088010181095 0.20207928471852 18.998 8 F 0.29525024939684 0.04911989818905 0.70207928471852 18.998 *9 F 0.46925409212607 0.25000000000000 0.09366991150303 18.998 10 F 0.03074590787394 0.75000000000000 0.59366991150304 18.998 11 F 0.96925409212606 0.25000000000000 0.40633008849697 18.998 12 F 0.53074590787394 0.75000000000000 0.90633008849696 18.998 *13 Na 0.95095719325398 0.75000000000000 0.01277368227294 22.990 14 Na 0.54904280674602 0.25000000000000 0.51277368227294 22.990 15 Na 0.45095719325398 0.75000000000000 0.48722631772706 22.990 16 Na 0.04904280674602 0.25000000000000 0.98722631772706 22.990 *17 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 18 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 19 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 20 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.505056730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.665201130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.354691299999999 Atomic positions (fractional): *1 F 0.29525024939684 0.45088010181095 0.70207928471852 18.998 > 1 2 F 0.20474975060316 0.54911989818905 0.20207928471852 18.998 > 2 3 F 0.79525024939684 0.04911989818905 0.79792071528148 18.998 > 3 4 F 0.70474975060316 0.95088010181095 0.29792071528148 18.998 > 4 5 F 0.70474975060316 0.54911989818905 0.29792071528148 18.998 > 5 6 F 0.79525024939684 0.45088010181095 0.79792071528148 18.998 > 6 7 F 0.20474975060316 0.95088010181095 0.20207928471852 18.998 > 7 8 F 0.29525024939684 0.04911989818905 0.70207928471852 18.998 > 8 *9 F 0.46925409212607 0.25000000000000 0.09366991150303 18.998 > 9 10 F 0.03074590787394 0.75000000000000 0.59366991150304 18.998 > 10 11 F 0.96925409212606 0.25000000000000 0.40633008849697 18.998 > 11 12 F 0.53074590787394 0.75000000000000 0.90633008849696 18.998 > 12 *13 Na 0.95095719325398 0.75000000000000 0.01277368227294 22.990 > 13 14 Na 0.54904280674602 0.25000000000000 0.51277368227294 22.990 > 14 15 Na 0.45095719325398 0.75000000000000 0.48722631772706 22.990 > 15 16 Na 0.04904280674602 0.25000000000000 0.98722631772706 22.990 > 16 *17 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 17 18 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 18 19 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 19 20 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.010113459999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.665201130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.709382599999998 Atomic positions (fractional): *1 F 0.14762512469842 0.45088010181095 0.35103964235926 18.998 > 1 2 F 0.64762512469842 0.45088010181095 0.35103964235926 18.998 > 1 3 F 0.14762512469842 0.45088010181095 0.85103964235926 18.998 > 1 4 F 0.64762512469842 0.45088010181095 0.85103964235926 18.998 > 1 5 F 0.10237487530158 0.54911989818905 0.10103964235926 18.998 > 2 6 F 0.60237487530158 0.54911989818905 0.10103964235926 18.998 > 2 7 F 0.10237487530158 0.54911989818905 0.60103964235926 18.998 > 2 8 F 0.60237487530158 0.54911989818905 0.60103964235926 18.998 > 2 9 F 0.39762512469842 0.04911989818905 0.39896035764074 18.998 > 3 10 F 0.89762512469842 0.04911989818905 0.39896035764074 18.998 > 3 11 F 0.39762512469842 0.04911989818905 0.89896035764074 18.998 > 3 12 F 0.89762512469842 0.04911989818905 0.89896035764074 18.998 > 3 13 F 0.35237487530158 0.95088010181095 0.14896035764074 18.998 > 4 14 F 0.85237487530158 0.95088010181095 0.14896035764074 18.998 > 4 15 F 0.35237487530158 0.95088010181095 0.64896035764074 18.998 > 4 16 F 0.85237487530158 0.95088010181095 0.64896035764074 18.998 > 4 17 F 0.35237487530158 0.54911989818905 0.14896035764074 18.998 > 5 18 F 0.85237487530158 0.54911989818905 0.14896035764074 18.998 > 5 19 F 0.35237487530158 0.54911989818905 0.64896035764074 18.998 > 5 20 F 0.85237487530158 0.54911989818905 0.64896035764074 18.998 > 5 21 F 0.39762512469842 0.45088010181095 0.39896035764074 18.998 > 6 22 F 0.89762512469842 0.45088010181095 0.39896035764074 18.998 > 6 23 F 0.39762512469842 0.45088010181095 0.89896035764074 18.998 > 6 24 F 0.89762512469842 0.45088010181095 0.89896035764074 18.998 > 6 25 F 0.10237487530158 0.95088010181095 0.10103964235926 18.998 > 7 26 F 0.60237487530158 0.95088010181095 0.10103964235926 18.998 > 7 27 F 0.10237487530158 0.95088010181095 0.60103964235926 18.998 > 7 28 F 0.60237487530158 0.95088010181095 0.60103964235926 18.998 > 7 29 F 0.14762512469842 0.04911989818905 0.35103964235926 18.998 > 8 30 F 0.64762512469842 0.04911989818905 0.35103964235926 18.998 > 8 31 F 0.14762512469842 0.04911989818905 0.85103964235926 18.998 > 8 32 F 0.64762512469842 0.04911989818905 0.85103964235926 18.998 > 8 *33 F 0.23462704606303 0.25000000000000 0.04683495575152 18.998 > 9 34 F 0.73462704606303 0.25000000000000 0.04683495575152 18.998 > 9 35 F 0.23462704606303 0.25000000000000 0.54683495575152 18.998 > 9 36 F 0.73462704606303 0.25000000000000 0.54683495575152 18.998 > 9 37 F 0.01537295393697 0.75000000000000 0.29683495575152 18.998 > 10 38 F 0.51537295393697 0.75000000000000 0.29683495575152 18.998 > 10 39 F 0.01537295393697 0.75000000000000 0.79683495575152 18.998 > 10 40 F 0.51537295393697 0.75000000000000 0.79683495575152 18.998 > 10 41 F 0.48462704606303 0.25000000000000 0.20316504424848 18.998 > 11 42 F 0.98462704606303 0.25000000000000 0.20316504424848 18.998 > 11 43 F 0.48462704606303 0.25000000000000 0.70316504424848 18.998 > 11 44 F 0.98462704606303 0.25000000000000 0.70316504424848 18.998 > 11 45 F 0.26537295393697 0.75000000000000 0.45316504424848 18.998 > 12 46 F 0.76537295393697 0.75000000000000 0.45316504424848 18.998 > 12 47 F 0.26537295393697 0.75000000000000 0.95316504424848 18.998 > 12 48 F 0.76537295393697 0.75000000000000 0.95316504424848 18.998 > 12 *49 Na 0.47547859662699 0.75000000000000 0.00638684113647 22.990 > 13 50 Na 0.97547859662699 0.75000000000000 0.00638684113647 22.990 > 13 51 Na 0.47547859662699 0.75000000000000 0.50638684113647 22.990 > 13 52 Na 0.97547859662699 0.75000000000000 0.50638684113647 22.990 > 13 53 Na 0.27452140337301 0.25000000000000 0.25638684113647 22.990 > 14 54 Na 0.77452140337301 0.25000000000000 0.25638684113647 22.990 > 14 55 Na 0.27452140337301 0.25000000000000 0.75638684113647 22.990 > 14 56 Na 0.77452140337301 0.25000000000000 0.75638684113647 22.990 > 14 57 Na 0.22547859662699 0.75000000000000 0.24361315886353 22.990 > 15 58 Na 0.72547859662699 0.75000000000000 0.24361315886353 22.990 > 15 59 Na 0.22547859662699 0.75000000000000 0.74361315886353 22.990 > 15 60 Na 0.72547859662699 0.75000000000000 0.74361315886353 22.990 > 15 61 Na 0.02452140337301 0.25000000000000 0.49361315886353 22.990 > 16 62 Na 0.52452140337301 0.25000000000000 0.49361315886353 22.990 > 16 63 Na 0.02452140337301 0.25000000000000 0.99361315886353 22.990 > 16 64 Na 0.52452140337301 0.25000000000000 0.99361315886353 22.990 > 16 *65 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 17 66 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 17 67 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 17 68 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 17 69 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 18 70 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 18 71 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 18 72 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 18 73 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 19 74 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 19 75 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 19 76 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 19 77 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 20 78 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 20 79 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 20 80 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9757731 0.0000000 0.0000000 0.0000000 1.9780654 0.0000000 0.0000000 0.0000000 1.9775003 -------------------------- Born effective charges -------------------------- 1 F -1.0779907 0.0096595 -0.1729260 0.0059022 -0.8979901 0.0134997 -0.1710913 0.0132870 -1.0603801 2 F -1.0779907 0.0096595 0.1729260 0.0059022 -0.8979901 -0.0134997 0.1710913 -0.0132870 -1.0603801 3 F -1.0779907 -0.0096595 0.1729260 -0.0059022 -0.8979901 0.0134997 0.1710913 0.0132870 -1.0603801 4 F -1.0779907 -0.0096595 -0.1729260 -0.0059022 -0.8979901 -0.0134997 -0.1710913 -0.0132870 -1.0603801 5 F -1.0779907 0.0096595 -0.1729260 0.0059022 -0.8979901 0.0134997 -0.1710913 0.0132870 -1.0603801 6 F -1.0779907 0.0096595 0.1729260 0.0059022 -0.8979901 -0.0134997 0.1710913 -0.0132870 -1.0603801 7 F -1.0779907 -0.0096595 0.1729260 -0.0059022 -0.8979901 0.0134997 0.1710913 0.0132870 -1.0603801 8 F -1.0779907 -0.0096595 -0.1729260 -0.0059022 -0.8979901 -0.0134997 -0.1710913 -0.0132870 -1.0603801 9 F -0.8744244 0.0000000 -0.0141820 0.0000000 -1.2418594 0.0000000 -0.0051296 0.0000000 -0.9072965 10 F -0.8744244 0.0000000 0.0141820 0.0000000 -1.2418594 0.0000000 0.0051296 0.0000000 -0.9072965 11 F -0.8744244 0.0000000 0.0141820 0.0000000 -1.2418594 0.0000000 0.0051296 0.0000000 -0.9072965 12 F -0.8744244 0.0000000 -0.0141820 0.0000000 -1.2418594 0.0000000 -0.0051296 0.0000000 -0.9072965 13 Na 1.0714186 0.0000000 0.0100596 0.0000000 1.0806161 0.0000000 0.0055813 0.0000000 1.0727232 14 Na 1.0714186 0.0000000 -0.0100596 0.0000000 1.0806161 0.0000000 -0.0055813 0.0000000 1.0727232 15 Na 1.0714186 0.0000000 -0.0100596 0.0000000 1.0806161 0.0000000 -0.0055813 0.0000000 1.0727232 16 Na 1.0714186 0.0000000 0.0100596 0.0000000 1.0806161 0.0000000 0.0055813 0.0000000 1.0727232 17 Mg 1.9589871 0.0074757 0.0159818 0.0191877 1.9572235 -0.0190459 -0.0215913 0.0377854 1.9553335 18 Mg 1.9589871 0.0074757 -0.0159818 0.0191877 1.9572235 0.0190459 0.0215913 -0.0377854 1.9553335 19 Mg 1.9589871 -0.0074757 -0.0159818 -0.0191877 1.9572235 -0.0190459 0.0215913 0.0377854 1.9553335 20 Mg 1.9589871 -0.0074757 0.0159818 -0.0191877 1.9572235 0.0190459 -0.0215913 -0.0377854 1.9553335 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.725 Solver_block: 200 / 320 - Time: 0.739 Solver_block: 300 / 320 - Time: 0.742 Solver_block: 320 / 320 - Time: 0.188 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.409 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:18:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:18:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.505056730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.665201130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.354691299999999 Atomic positions (fractional): 1 F 0.29525024939684 0.45088010181095 0.70207928471852 18.998 2 F 0.20474975060316 0.54911989818905 0.20207928471852 18.998 3 F 0.79525024939684 0.04911989818905 0.79792071528148 18.998 4 F 0.70474975060316 0.95088010181095 0.29792071528148 18.998 5 F 0.70474975060316 0.54911989818905 0.29792071528148 18.998 6 F 0.79525024939684 0.45088010181095 0.79792071528148 18.998 7 F 0.20474975060316 0.95088010181095 0.20207928471852 18.998 8 F 0.29525024939684 0.04911989818905 0.70207928471852 18.998 9 F 0.46925409212607 0.25000000000000 0.09366991150303 18.998 10 F 0.03074590787394 0.75000000000000 0.59366991150304 18.998 11 F 0.96925409212606 0.25000000000000 0.40633008849697 18.998 12 F 0.53074590787394 0.75000000000000 0.90633008849696 18.998 13 Na 0.95095719325398 0.75000000000000 0.01277368227294 22.990 14 Na 0.54904280674602 0.25000000000000 0.51277368227294 22.990 15 Na 0.45095719325398 0.75000000000000 0.48722631772706 22.990 16 Na 0.04904280674602 0.25000000000000 0.98722631772706 22.990 17 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 18 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 19 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 20 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.010113459999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.665201130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.709382599999998 Atomic positions (fractional): 1 F 0.14762512469842 0.45088010181095 0.35103964235926 18.998 > 1 2 F 0.64762512469842 0.45088010181095 0.35103964235926 18.998 > 1 3 F 0.14762512469842 0.45088010181095 0.85103964235926 18.998 > 1 4 F 0.64762512469842 0.45088010181095 0.85103964235926 18.998 > 1 5 F 0.10237487530158 0.54911989818905 0.10103964235926 18.998 > 5 6 F 0.60237487530158 0.54911989818905 0.10103964235926 18.998 > 5 7 F 0.10237487530158 0.54911989818905 0.60103964235926 18.998 > 5 8 F 0.60237487530158 0.54911989818905 0.60103964235926 18.998 > 5 9 F 0.39762512469842 0.04911989818905 0.39896035764074 18.998 > 9 10 F 0.89762512469842 0.04911989818905 0.39896035764074 18.998 > 9 11 F 0.39762512469842 0.04911989818905 0.89896035764074 18.998 > 9 12 F 0.89762512469842 0.04911989818905 0.89896035764074 18.998 > 9 13 F 0.35237487530158 0.95088010181095 0.14896035764074 18.998 > 13 14 F 0.85237487530158 0.95088010181095 0.14896035764074 18.998 > 13 15 F 0.35237487530158 0.95088010181095 0.64896035764074 18.998 > 13 16 F 0.85237487530158 0.95088010181095 0.64896035764074 18.998 > 13 17 F 0.35237487530158 0.54911989818905 0.14896035764074 18.998 > 17 18 F 0.85237487530158 0.54911989818905 0.14896035764074 18.998 > 17 19 F 0.35237487530158 0.54911989818905 0.64896035764074 18.998 > 17 20 F 0.85237487530158 0.54911989818905 0.64896035764074 18.998 > 17 21 F 0.39762512469842 0.45088010181095 0.39896035764074 18.998 > 21 22 F 0.89762512469842 0.45088010181095 0.39896035764074 18.998 > 21 23 F 0.39762512469842 0.45088010181095 0.89896035764074 18.998 > 21 24 F 0.89762512469842 0.45088010181095 0.89896035764074 18.998 > 21 25 F 0.10237487530158 0.95088010181095 0.10103964235926 18.998 > 25 26 F 0.60237487530158 0.95088010181095 0.10103964235926 18.998 > 25 27 F 0.10237487530158 0.95088010181095 0.60103964235926 18.998 > 25 28 F 0.60237487530158 0.95088010181095 0.60103964235926 18.998 > 25 29 F 0.14762512469842 0.04911989818905 0.35103964235926 18.998 > 29 30 F 0.64762512469842 0.04911989818905 0.35103964235926 18.998 > 29 31 F 0.14762512469842 0.04911989818905 0.85103964235926 18.998 > 29 32 F 0.64762512469842 0.04911989818905 0.85103964235926 18.998 > 29 33 F 0.23462704606303 0.25000000000000 0.04683495575152 18.998 > 33 34 F 0.73462704606303 0.25000000000000 0.04683495575152 18.998 > 33 35 F 0.23462704606303 0.25000000000000 0.54683495575152 18.998 > 33 36 F 0.73462704606303 0.25000000000000 0.54683495575152 18.998 > 33 37 F 0.01537295393697 0.75000000000000 0.29683495575152 18.998 > 37 38 F 0.51537295393697 0.75000000000000 0.29683495575152 18.998 > 37 39 F 0.01537295393697 0.75000000000000 0.79683495575152 18.998 > 37 40 F 0.51537295393697 0.75000000000000 0.79683495575152 18.998 > 37 41 F 0.48462704606303 0.25000000000000 0.20316504424848 18.998 > 41 42 F 0.98462704606303 0.25000000000000 0.20316504424848 18.998 > 41 43 F 0.48462704606303 0.25000000000000 0.70316504424848 18.998 > 41 44 F 0.98462704606303 0.25000000000000 0.70316504424848 18.998 > 41 45 F 0.26537295393697 0.75000000000000 0.45316504424848 18.998 > 45 46 F 0.76537295393697 0.75000000000000 0.45316504424848 18.998 > 45 47 F 0.26537295393697 0.75000000000000 0.95316504424848 18.998 > 45 48 F 0.76537295393697 0.75000000000000 0.95316504424848 18.998 > 45 49 Na 0.47547859662699 0.75000000000000 0.00638684113647 22.990 > 49 50 Na 0.97547859662699 0.75000000000000 0.00638684113647 22.990 > 49 51 Na 0.47547859662699 0.75000000000000 0.50638684113647 22.990 > 49 52 Na 0.97547859662699 0.75000000000000 0.50638684113647 22.990 > 49 53 Na 0.27452140337301 0.25000000000000 0.25638684113647 22.990 > 53 54 Na 0.77452140337301 0.25000000000000 0.25638684113647 22.990 > 53 55 Na 0.27452140337301 0.25000000000000 0.75638684113647 22.990 > 53 56 Na 0.77452140337301 0.25000000000000 0.75638684113647 22.990 > 53 57 Na 0.22547859662699 0.75000000000000 0.24361315886353 22.990 > 57 58 Na 0.72547859662699 0.75000000000000 0.24361315886353 22.990 > 57 59 Na 0.22547859662699 0.75000000000000 0.74361315886353 22.990 > 57 60 Na 0.72547859662699 0.75000000000000 0.74361315886353 22.990 > 57 61 Na 0.02452140337301 0.25000000000000 0.49361315886353 22.990 > 61 62 Na 0.52452140337301 0.25000000000000 0.49361315886353 22.990 > 61 63 Na 0.02452140337301 0.25000000000000 0.99361315886353 22.990 > 61 64 Na 0.52452140337301 0.25000000000000 0.99361315886353 22.990 > 61 65 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 65 66 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 65 67 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 65 68 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 65 69 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 69 70 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 69 71 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 69 72 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 69 73 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 73 74 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 73 75 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 73 76 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 73 77 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 77 78 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 77 79 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 77 80 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 1.9757731 0.0000000 0.0000000 0.0000000 1.9780654 0.0000000 0.0000000 0.0000000 1.9775003 -------------------------- Born effective charges -------------------------- 1 F -1.0779907 0.0096595 -0.1729260 0.0059022 -0.8979901 0.0134997 -0.1710913 0.0132870 -1.0603801 2 F -1.0779907 0.0096595 0.1729260 0.0059022 -0.8979901 -0.0134997 0.1710913 -0.0132870 -1.0603801 3 F -1.0779907 -0.0096595 0.1729260 -0.0059022 -0.8979901 0.0134997 0.1710913 0.0132870 -1.0603801 4 F -1.0779907 -0.0096595 -0.1729260 -0.0059022 -0.8979901 -0.0134997 -0.1710913 -0.0132870 -1.0603801 5 F -1.0779907 0.0096595 -0.1729260 0.0059022 -0.8979901 0.0134997 -0.1710913 0.0132870 -1.0603801 6 F -1.0779907 0.0096595 0.1729260 0.0059022 -0.8979901 -0.0134997 0.1710913 -0.0132870 -1.0603801 7 F -1.0779907 -0.0096595 0.1729260 -0.0059022 -0.8979901 0.0134997 0.1710913 0.0132870 -1.0603801 8 F -1.0779907 -0.0096595 -0.1729260 -0.0059022 -0.8979901 -0.0134997 -0.1710913 -0.0132870 -1.0603801 9 F -0.8744244 0.0000000 -0.0141820 0.0000000 -1.2418594 0.0000000 -0.0051296 0.0000000 -0.9072965 10 F -0.8744244 0.0000000 0.0141820 0.0000000 -1.2418594 0.0000000 0.0051296 0.0000000 -0.9072965 11 F -0.8744244 0.0000000 0.0141820 0.0000000 -1.2418594 0.0000000 0.0051296 0.0000000 -0.9072965 12 F -0.8744244 0.0000000 -0.0141820 0.0000000 -1.2418594 0.0000000 -0.0051296 0.0000000 -0.9072965 13 Na 1.0714186 0.0000000 0.0100596 0.0000000 1.0806161 0.0000000 0.0055813 0.0000000 1.0727232 14 Na 1.0714186 0.0000000 -0.0100596 0.0000000 1.0806161 0.0000000 -0.0055813 0.0000000 1.0727232 15 Na 1.0714186 0.0000000 -0.0100596 0.0000000 1.0806161 0.0000000 -0.0055813 0.0000000 1.0727232 16 Na 1.0714186 0.0000000 0.0100596 0.0000000 1.0806161 0.0000000 0.0055813 0.0000000 1.0727232 17 Mg 1.9589871 0.0074757 0.0159818 0.0191877 1.9572235 -0.0190459 -0.0215913 0.0377854 1.9553335 18 Mg 1.9589871 0.0074757 -0.0159818 0.0191877 1.9572235 0.0190459 0.0215913 -0.0377854 1.9553335 19 Mg 1.9589871 -0.0074757 -0.0159818 -0.0191877 1.9572235 -0.0190459 0.0215913 0.0377854 1.9553335 20 Mg 1.9589871 -0.0074757 0.0159818 -0.0191877 1.9572235 0.0190459 -0.0215913 -0.0377854 1.9553335 ---------------------------------------------------------------------------- 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[ 33, 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[ 49, 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[ 65, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:18:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:18:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.505056730000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.665201130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.354691299999999 Atomic positions (fractional): 1 F 0.29525024939684 0.45088010181095 0.70207928471852 18.998 2 F 0.20474975060316 0.54911989818905 0.20207928471852 18.998 3 F 0.79525024939684 0.04911989818905 0.79792071528148 18.998 4 F 0.70474975060316 0.95088010181095 0.29792071528148 18.998 5 F 0.70474975060316 0.54911989818905 0.29792071528148 18.998 6 F 0.79525024939684 0.45088010181095 0.79792071528148 18.998 7 F 0.20474975060316 0.95088010181095 0.20207928471852 18.998 8 F 0.29525024939684 0.04911989818905 0.70207928471852 18.998 9 F 0.46925409212607 0.25000000000000 0.09366991150303 18.998 10 F 0.03074590787394 0.75000000000000 0.59366991150304 18.998 11 F 0.96925409212606 0.25000000000000 0.40633008849697 18.998 12 F 0.53074590787394 0.75000000000000 0.90633008849696 18.998 13 Na 0.95095719325398 0.75000000000000 0.01277368227294 22.990 14 Na 0.54904280674602 0.25000000000000 0.51277368227294 22.990 15 Na 0.45095719325398 0.75000000000000 0.48722631772706 22.990 16 Na 0.04904280674602 0.25000000000000 0.98722631772706 22.990 17 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 18 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 19 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 20 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.010113459999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.665201130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.709382599999998 Atomic positions (fractional): 1 F 0.14762512469842 0.45088010181095 0.35103964235926 18.998 > 1 2 F 0.64762512469842 0.45088010181095 0.35103964235926 18.998 > 1 3 F 0.14762512469842 0.45088010181095 0.85103964235926 18.998 > 1 4 F 0.64762512469842 0.45088010181095 0.85103964235926 18.998 > 1 5 F 0.10237487530158 0.54911989818905 0.10103964235926 18.998 > 5 6 F 0.60237487530158 0.54911989818905 0.10103964235926 18.998 > 5 7 F 0.10237487530158 0.54911989818905 0.60103964235926 18.998 > 5 8 F 0.60237487530158 0.54911989818905 0.60103964235926 18.998 > 5 9 F 0.39762512469842 0.04911989818905 0.39896035764074 18.998 > 9 10 F 0.89762512469842 0.04911989818905 0.39896035764074 18.998 > 9 11 F 0.39762512469842 0.04911989818905 0.89896035764074 18.998 > 9 12 F 0.89762512469842 0.04911989818905 0.89896035764074 18.998 > 9 13 F 0.35237487530158 0.95088010181095 0.14896035764074 18.998 > 13 14 F 0.85237487530158 0.95088010181095 0.14896035764074 18.998 > 13 15 F 0.35237487530158 0.95088010181095 0.64896035764074 18.998 > 13 16 F 0.85237487530158 0.95088010181095 0.64896035764074 18.998 > 13 17 F 0.35237487530158 0.54911989818905 0.14896035764074 18.998 > 17 18 F 0.85237487530158 0.54911989818905 0.14896035764074 18.998 > 17 19 F 0.35237487530158 0.54911989818905 0.64896035764074 18.998 > 17 20 F 0.85237487530158 0.54911989818905 0.64896035764074 18.998 > 17 21 F 0.39762512469842 0.45088010181095 0.39896035764074 18.998 > 21 22 F 0.89762512469842 0.45088010181095 0.39896035764074 18.998 > 21 23 F 0.39762512469842 0.45088010181095 0.89896035764074 18.998 > 21 24 F 0.89762512469842 0.45088010181095 0.89896035764074 18.998 > 21 25 F 0.10237487530158 0.95088010181095 0.10103964235926 18.998 > 25 26 F 0.60237487530158 0.95088010181095 0.10103964235926 18.998 > 25 27 F 0.10237487530158 0.95088010181095 0.60103964235926 18.998 > 25 28 F 0.60237487530158 0.95088010181095 0.60103964235926 18.998 > 25 29 F 0.14762512469842 0.04911989818905 0.35103964235926 18.998 > 29 30 F 0.64762512469842 0.04911989818905 0.35103964235926 18.998 > 29 31 F 0.14762512469842 0.04911989818905 0.85103964235926 18.998 > 29 32 F 0.64762512469842 0.04911989818905 0.85103964235926 18.998 > 29 33 F 0.23462704606303 0.25000000000000 0.04683495575152 18.998 > 33 34 F 0.73462704606303 0.25000000000000 0.04683495575152 18.998 > 33 35 F 0.23462704606303 0.25000000000000 0.54683495575152 18.998 > 33 36 F 0.73462704606303 0.25000000000000 0.54683495575152 18.998 > 33 37 F 0.01537295393697 0.75000000000000 0.29683495575152 18.998 > 37 38 F 0.51537295393697 0.75000000000000 0.29683495575152 18.998 > 37 39 F 0.01537295393697 0.75000000000000 0.79683495575152 18.998 > 37 40 F 0.51537295393697 0.75000000000000 0.79683495575152 18.998 > 37 41 F 0.48462704606303 0.25000000000000 0.20316504424848 18.998 > 41 42 F 0.98462704606303 0.25000000000000 0.20316504424848 18.998 > 41 43 F 0.48462704606303 0.25000000000000 0.70316504424848 18.998 > 41 44 F 0.98462704606303 0.25000000000000 0.70316504424848 18.998 > 41 45 F 0.26537295393697 0.75000000000000 0.45316504424848 18.998 > 45 46 F 0.76537295393697 0.75000000000000 0.45316504424848 18.998 > 45 47 F 0.26537295393697 0.75000000000000 0.95316504424848 18.998 > 45 48 F 0.76537295393697 0.75000000000000 0.95316504424848 18.998 > 45 49 Na 0.47547859662699 0.75000000000000 0.00638684113647 22.990 > 49 50 Na 0.97547859662699 0.75000000000000 0.00638684113647 22.990 > 49 51 Na 0.47547859662699 0.75000000000000 0.50638684113647 22.990 > 49 52 Na 0.97547859662699 0.75000000000000 0.50638684113647 22.990 > 49 53 Na 0.27452140337301 0.25000000000000 0.25638684113647 22.990 > 53 54 Na 0.77452140337301 0.25000000000000 0.25638684113647 22.990 > 53 55 Na 0.27452140337301 0.25000000000000 0.75638684113647 22.990 > 53 56 Na 0.77452140337301 0.25000000000000 0.75638684113647 22.990 > 53 57 Na 0.22547859662699 0.75000000000000 0.24361315886353 22.990 > 57 58 Na 0.72547859662699 0.75000000000000 0.24361315886353 22.990 > 57 59 Na 0.22547859662699 0.75000000000000 0.74361315886353 22.990 > 57 60 Na 0.72547859662699 0.75000000000000 0.74361315886353 22.990 > 57 61 Na 0.02452140337301 0.25000000000000 0.49361315886353 22.990 > 61 62 Na 0.52452140337301 0.25000000000000 0.49361315886353 22.990 > 61 63 Na 0.02452140337301 0.25000000000000 0.99361315886353 22.990 > 61 64 Na 0.52452140337301 0.25000000000000 0.99361315886353 22.990 > 61 65 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 65 66 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 65 67 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 65 68 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 65 69 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 69 70 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 69 71 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 69 72 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 69 73 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 73 74 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 73 75 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 73 76 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 73 77 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 77 78 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 77 79 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 77 80 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 1.9757731 0.0000000 0.0000000 0.0000000 1.9780654 0.0000000 0.0000000 0.0000000 1.9775003 -------------------------- Born effective charges -------------------------- 1 F -1.0779907 0.0096595 -0.1729260 0.0059022 -0.8979901 0.0134997 -0.1710913 0.0132870 -1.0603801 2 F -1.0779907 0.0096595 0.1729260 0.0059022 -0.8979901 -0.0134997 0.1710913 -0.0132870 -1.0603801 3 F -1.0779907 -0.0096595 0.1729260 -0.0059022 -0.8979901 0.0134997 0.1710913 0.0132870 -1.0603801 4 F -1.0779907 -0.0096595 -0.1729260 -0.0059022 -0.8979901 -0.0134997 -0.1710913 -0.0132870 -1.0603801 5 F -1.0779907 0.0096595 -0.1729260 0.0059022 -0.8979901 0.0134997 -0.1710913 0.0132870 -1.0603801 6 F -1.0779907 0.0096595 0.1729260 0.0059022 -0.8979901 -0.0134997 0.1710913 -0.0132870 -1.0603801 7 F -1.0779907 -0.0096595 0.1729260 -0.0059022 -0.8979901 0.0134997 0.1710913 0.0132870 -1.0603801 8 F -1.0779907 -0.0096595 -0.1729260 -0.0059022 -0.8979901 -0.0134997 -0.1710913 -0.0132870 -1.0603801 9 F -0.8744244 0.0000000 -0.0141820 0.0000000 -1.2418594 0.0000000 -0.0051296 0.0000000 -0.9072965 10 F -0.8744244 0.0000000 0.0141820 0.0000000 -1.2418594 0.0000000 0.0051296 0.0000000 -0.9072965 11 F -0.8744244 0.0000000 0.0141820 0.0000000 -1.2418594 0.0000000 0.0051296 0.0000000 -0.9072965 12 F -0.8744244 0.0000000 -0.0141820 0.0000000 -1.2418594 0.0000000 -0.0051296 0.0000000 -0.9072965 13 Na 1.0714186 0.0000000 0.0100596 0.0000000 1.0806161 0.0000000 0.0055813 0.0000000 1.0727232 14 Na 1.0714186 0.0000000 -0.0100596 0.0000000 1.0806161 0.0000000 -0.0055813 0.0000000 1.0727232 15 Na 1.0714186 0.0000000 -0.0100596 0.0000000 1.0806161 0.0000000 -0.0055813 0.0000000 1.0727232 16 Na 1.0714186 0.0000000 0.0100596 0.0000000 1.0806161 0.0000000 0.0055813 0.0000000 1.0727232 17 Mg 1.9589871 0.0074757 0.0159818 0.0191877 1.9572235 -0.0190459 -0.0215913 0.0377854 1.9553335 18 Mg 1.9589871 0.0074757 -0.0159818 0.0191877 1.9572235 0.0190459 0.0215913 -0.0377854 1.9553335 19 Mg 1.9589871 -0.0074757 -0.0159818 -0.0191877 1.9572235 -0.0190459 0.0215913 0.0377854 1.9553335 20 Mg 1.9589871 -0.0074757 0.0159818 -0.0191877 1.9572235 0.0190459 -0.0215913 -0.0377854 1.9553335 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- 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 ... [ 9 7 9 ] 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: 0.68, Number of G-points: 315, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 5.767 ( 0.000 0.000 0.000) 0.000 6.258 ( 0.000 0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 8.017 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.215 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 8.921 ( 0.000 0.000 0.000) 0.000 8.933 ( 0.000 0.000 0.000) 0.000 9.094 ( 0.000 0.000 0.000) 0.000 9.096 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 10.647 ( 0.000 0.000 0.000) 0.000 10.667 ( 0.000 0.000 0.000) 0.000 10.773 ( 0.000 0.000 0.000) 0.000 11.814 ( 0.000 0.000 0.000) 0.000 11.976 ( 0.000 0.000 0.000) 0.000 11.993 ( 0.000 0.000 0.000) 0.000 13.065 ( 0.000 0.000 0.000) 0.000 13.200 ( 0.000 0.000 0.000) 0.000 13.608 ( 0.000 0.000 0.000) 0.000 13.969 ( 0.000 0.000 0.000) 0.000 14.098 ( 0.000 0.000 0.000) 0.000 14.153 ( 0.000 0.000 0.000) 0.000 14.186 ( 0.000 0.000 0.000) 0.000 14.301 ( 0.000 0.000 0.000) 0.000 14.388 ( 0.000 0.000 0.000) 0.000 14.408 ( 0.000 0.000 0.000) 0.000 14.427 ( 0.000 0.000 0.000) 0.000 14.620 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 37.355 0.000 0.000) 37.355 0.791 ( 38.455 0.000 0.000) 38.455 1.336 ( 64.551 0.000 0.000) 64.551 2.809 ( 6.913 0.000 0.000) 6.913 2.983 ( 6.682 0.000 0.000) 6.682 3.041 ( 17.121 0.000 0.000) 17.121 3.677 ( 2.525 0.000 0.000) 2.525 3.683 ( -11.824 0.000 0.000) 11.824 4.048 ( -8.434 0.000 0.000) 8.434 4.223 ( -2.326 0.000 0.000) 2.326 4.293 ( -1.250 0.000 0.000) 1.250 4.422 ( 12.108 0.000 0.000) 12.108 4.433 ( 0.743 0.000 0.000) 0.743 4.529 ( -21.544 0.000 0.000) 21.544 4.546 ( -4.514 0.000 0.000) 4.514 4.936 ( 2.684 0.000 0.000) 2.684 5.096 ( -21.051 0.000 0.000) 21.051 5.463 ( 21.034 0.000 0.000) 21.034 5.689 ( -0.063 0.000 0.000) 0.063 5.722 ( -3.071 0.000 0.000) 3.071 5.740 ( 3.381 0.000 0.000) 3.381 5.940 ( -19.008 0.000 0.000) 19.008 6.187 ( -1.965 0.000 0.000) 1.965 6.250 ( -0.937 0.000 0.000) 0.937 6.448 ( 10.759 0.000 0.000) 10.759 6.778 ( 18.951 0.000 0.000) 18.951 6.785 ( 3.541 0.000 0.000) 3.541 7.005 ( -4.242 0.000 0.000) 4.242 7.036 ( 7.043 0.000 0.000) 7.043 7.222 ( -7.169 0.000 0.000) 7.169 7.313 ( 4.874 0.000 0.000) 4.874 8.041 ( 2.265 0.000 0.000) 2.265 8.044 ( -0.628 0.000 0.000) 0.628 8.165 ( 16.656 0.000 0.000) 16.656 8.233 ( 1.572 0.000 0.000) 1.572 8.546 ( -1.736 0.000 0.000) 1.736 8.866 ( -4.946 0.000 0.000) 4.946 8.877 ( -4.283 0.000 0.000) 4.283 9.061 ( -3.279 0.000 0.000) 3.279 9.125 ( -1.134 0.000 0.000) 1.134 9.489 ( 2.417 0.000 0.000) 2.417 10.423 ( 1.985 0.000 0.000) 1.985 10.533 ( -10.792 0.000 0.000) 10.792 10.628 ( -3.774 0.000 0.000) 3.774 10.844 ( 6.352 0.000 0.000) 6.352 11.843 ( 1.904 0.000 0.000) 1.904 11.901 ( -6.861 0.000 0.000) 6.861 12.089 ( 9.053 0.000 0.000) 9.053 12.885 ( -22.172 0.000 0.000) 22.172 13.022 ( -3.842 0.000 0.000) 3.842 13.218 ( -25.693 0.000 0.000) 25.693 14.183 ( -0.148 0.000 0.000) 0.148 14.193 ( 7.645 0.000 0.000) 7.645 14.241 ( -5.830 0.000 0.000) 5.830 14.263 ( -7.260 0.000 0.000) 7.260 14.317 ( -2.085 0.000 0.000) 2.085 14.488 ( 23.653 0.000 0.000) 23.653 14.568 ( 15.438 0.000 0.000) 15.438 14.726 ( 9.652 0.000 0.000) 9.652 17.410 ( -5.472 0.000 0.000) 5.472 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 35.994 0.000 0.000) 35.994 1.538 ( 35.163 0.000 0.000) 35.163 2.541 ( 50.712 0.000 0.000) 50.712 3.017 ( 15.377 0.000 0.000) 15.377 3.143 ( 7.834 0.000 0.000) 7.834 3.305 ( 3.164 0.000 0.000) 3.164 3.477 ( -7.610 0.000 0.000) 7.610 3.840 ( -11.318 0.000 0.000) 11.318 3.866 ( 19.059 0.000 0.000) 19.059 4.142 ( -6.739 0.000 0.000) 6.739 4.188 ( -10.980 0.000 0.000) 10.980 4.292 ( 3.324 0.000 0.000) 3.324 4.366 ( -8.308 0.000 0.000) 8.308 4.414 ( -3.476 0.000 0.000) 3.476 4.645 ( -22.089 0.000 0.000) 22.089 4.738 ( 12.436 0.000 0.000) 12.436 4.905 ( -5.412 0.000 0.000) 5.412 5.506 ( -18.734 0.000 0.000) 18.734 5.648 ( -3.084 0.000 0.000) 3.084 5.713 ( 2.997 0.000 0.000) 2.997 5.862 ( 19.012 0.000 0.000) 19.012 5.914 ( 9.098 0.000 0.000) 9.098 6.149 ( -2.081 0.000 0.000) 2.081 6.211 ( -3.231 0.000 0.000) 3.231 6.615 ( 5.572 0.000 0.000) 5.572 6.913 ( -4.332 0.000 0.000) 4.332 6.923 ( 9.262 0.000 0.000) 9.262 7.069 ( -7.645 0.000 0.000) 7.645 7.140 ( 16.298 0.000 0.000) 16.298 7.213 ( 9.787 0.000 0.000) 9.787 7.418 ( 4.887 0.000 0.000) 4.887 8.044 ( 1.117 0.000 0.000) 1.117 8.093 ( 2.096 0.000 0.000) 2.096 8.255 ( -0.490 0.000 0.000) 0.490 8.452 ( -0.223 0.000 0.000) 0.223 8.618 ( 19.761 0.000 0.000) 19.761 8.758 ( -5.689 0.000 0.000) 5.689 8.774 ( -4.442 0.000 0.000) 4.442 8.955 ( -14.366 0.000 0.000) 14.366 8.971 ( -5.443 0.000 0.000) 5.443 9.658 ( 13.416 0.000 0.000) 13.416 10.238 ( -17.806 0.000 0.000) 17.806 10.489 ( 4.630 0.000 0.000) 4.630 10.515 ( -7.473 0.000 0.000) 7.473 10.979 ( 5.331 0.000 0.000) 5.331 11.742 ( -7.664 0.000 0.000) 7.664 11.793 ( -10.051 0.000 0.000) 10.051 12.334 ( 14.580 0.000 0.000) 14.580 12.564 ( -5.130 0.000 0.000) 5.130 12.706 ( -24.064 0.000 0.000) 24.064 12.942 ( -2.928 0.000 0.000) 2.928 14.055 ( -13.018 0.000 0.000) 13.018 14.065 ( -11.212 0.000 0.000) 11.212 14.157 ( -11.181 0.000 0.000) 11.181 14.188 ( 0.335 0.000 0.000) 0.335 14.253 ( 0.538 0.000 0.000) 0.538 14.938 ( 18.103 0.000 0.000) 18.103 14.965 ( 13.029 0.000 0.000) 13.029 15.062 ( 29.481 0.000 0.000) 29.481 17.246 ( -10.743 0.000 0.000) 10.743 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 29.827 0.000 0.000) 29.827 2.201 ( 32.849 0.000 0.000) 32.849 3.065 ( 8.273 0.000 0.000) 8.273 3.233 ( -0.681 0.000 0.000) 0.681 3.247 ( -4.380 0.000 0.000) 4.380 3.401 ( 0.507 0.000 0.000) 0.507 3.588 ( 28.527 0.000 0.000) 28.527 3.636 ( -7.961 0.000 0.000) 7.961 3.953 ( -10.596 0.000 0.000) 10.596 4.043 ( -2.637 0.000 0.000) 2.637 4.184 ( -9.653 0.000 0.000) 9.653 4.229 ( -15.728 0.000 0.000) 15.728 4.269 ( -10.631 0.000 0.000) 10.631 4.348 ( 22.406 0.000 0.000) 22.406 4.550 ( 22.450 0.000 0.000) 22.450 4.657 ( -13.044 0.000 0.000) 13.044 5.030 ( 11.467 0.000 0.000) 11.467 5.179 ( -13.021 0.000 0.000) 13.021 5.585 ( -2.976 0.000 0.000) 2.976 5.818 ( 6.272 0.000 0.000) 6.272 6.098 ( -6.108 0.000 0.000) 6.108 6.098 ( -5.515 0.000 0.000) 5.515 6.132 ( 12.024 0.000 0.000) 12.024 6.253 ( 19.658 0.000 0.000) 19.658 6.714 ( 5.072 0.000 0.000) 5.072 6.853 ( -1.274 0.000 0.000) 1.274 6.920 ( -6.727 0.000 0.000) 6.727 7.102 ( 7.988 0.000 0.000) 7.988 7.386 ( 5.717 0.000 0.000) 5.717 7.403 ( 8.477 0.000 0.000) 8.477 7.493 ( 2.212 0.000 0.000) 2.212 8.050 ( -9.220 0.000 0.000) 9.220 8.105 ( 5.110 0.000 0.000) 5.110 8.179 ( -5.647 0.000 0.000) 5.647 8.376 ( -5.082 0.000 0.000) 5.082 8.618 ( -10.635 0.000 0.000) 10.635 8.680 ( -6.554 0.000 0.000) 6.554 8.780 ( 6.172 0.000 0.000) 6.172 8.853 ( -5.934 0.000 0.000) 5.934 9.091 ( 24.093 0.000 0.000) 24.093 9.840 ( -20.922 0.000 0.000) 20.922 9.988 ( 18.601 0.000 0.000) 18.601 10.316 ( -12.540 0.000 0.000) 12.540 10.614 ( 7.838 0.000 0.000) 7.838 10.992 ( -5.173 0.000 0.000) 5.173 11.464 ( -19.184 0.000 0.000) 19.184 11.637 ( -1.874 0.000 0.000) 1.874 12.247 ( -19.920 0.000 0.000) 19.920 12.670 ( 12.279 0.000 0.000) 12.279 12.678 ( 17.975 0.000 0.000) 17.975 12.956 ( 5.170 0.000 0.000) 5.170 13.754 ( -16.208 0.000 0.000) 16.208 13.792 ( -15.600 0.000 0.000) 15.600 13.887 ( -15.261 0.000 0.000) 15.261 14.199 ( 0.720 0.000 0.000) 0.720 14.250 ( -0.578 0.000 0.000) 0.578 15.213 ( 10.749 0.000 0.000) 10.749 15.243 ( 11.536 0.000 0.000) 11.536 15.641 ( 27.570 0.000 0.000) 27.570 16.979 ( -15.685 0.000 0.000) 15.685 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 22.165 0.000 0.000) 22.165 2.790 ( 23.691 0.000 0.000) 23.691 3.060 ( -9.381 0.000 0.000) 9.381 3.111 ( -10.099 0.000 0.000) 10.099 3.242 ( 5.672 0.000 0.000) 5.672 3.464 ( -11.765 0.000 0.000) 11.765 3.503 ( 9.267 0.000 0.000) 9.267 3.728 ( -10.460 0.000 0.000) 10.460 3.868 ( 1.527 0.000 0.000) 1.527 3.987 ( -9.115 0.000 0.000) 9.115 4.015 ( -0.175 0.000 0.000) 0.175 4.066 ( -6.650 0.000 0.000) 6.650 4.141 ( 9.300 0.000 0.000) 9.300 4.385 ( -13.284 0.000 0.000) 13.284 4.724 ( 14.561 0.000 0.000) 14.561 4.960 ( -9.935 0.000 0.000) 9.935 5.105 ( 23.062 0.000 0.000) 23.062 5.218 ( 6.030 0.000 0.000) 6.030 5.558 ( 3.454 0.000 0.000) 3.454 5.834 ( -16.914 0.000 0.000) 16.914 5.939 ( 4.985 0.000 0.000) 4.985 6.029 ( -3.923 0.000 0.000) 3.923 6.376 ( 11.461 0.000 0.000) 11.461 6.530 ( 0.735 0.000 0.000) 0.735 6.818 ( 4.128 0.000 0.000) 4.128 6.851 ( 0.239 0.000 0.000) 0.239 6.917 ( 12.774 0.000 0.000) 12.774 7.275 ( 10.645 0.000 0.000) 10.645 7.276 ( -15.801 0.000 0.000) 15.801 7.481 ( -5.062 0.000 0.000) 5.062 7.545 ( 5.979 0.000 0.000) 5.979 7.737 ( -16.314 0.000 0.000) 16.314 8.152 ( 3.665 0.000 0.000) 3.665 8.243 ( 8.215 0.000 0.000) 8.215 8.262 ( -6.056 0.000 0.000) 6.056 8.419 ( -8.943 0.000 0.000) 8.943 8.659 ( 2.521 0.000 0.000) 2.521 8.741 ( -5.038 0.000 0.000) 5.038 9.009 ( 15.753 0.000 0.000) 15.753 9.369 ( -16.005 0.000 0.000) 16.005 9.608 ( 17.670 0.000 0.000) 17.670 10.005 ( -18.213 0.000 0.000) 18.213 10.386 ( 20.195 0.000 0.000) 20.195 10.761 ( -13.828 0.000 0.000) 13.828 10.817 ( 9.507 0.000 0.000) 9.507 11.098 ( -16.387 0.000 0.000) 16.387 11.685 ( 6.684 0.000 0.000) 6.684 11.899 ( -14.236 0.000 0.000) 14.236 12.967 ( 15.588 0.000 0.000) 15.588 13.060 ( 19.373 0.000 0.000) 19.373 13.120 ( 6.900 0.000 0.000) 6.900 13.445 ( -18.456 0.000 0.000) 18.456 13.446 ( -10.621 0.000 0.000) 10.621 13.565 ( -15.462 0.000 0.000) 15.462 14.216 ( 0.896 0.000 0.000) 0.896 14.234 ( -0.878 0.000 0.000) 0.878 15.375 ( 4.770 0.000 0.000) 4.770 15.392 ( 3.197 0.000 0.000) 3.197 16.166 ( 24.260 0.000 0.000) 24.260 16.615 ( -20.223 0.000 0.000) 20.223 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.000 35.050 0.000) 35.050 0.703 ( 0.000 37.347 0.000) 37.347 1.228 ( 0.000 64.564 0.000) 64.564 2.727 ( 0.000 -0.886 0.000) 0.886 2.854 ( 0.000 -6.278 0.000) 6.278 3.433 ( 0.000 -12.260 0.000) 12.260 3.503 ( 0.000 -13.591 0.000) 13.591 3.800 ( 0.000 -4.838 0.000) 4.838 4.018 ( 0.000 -8.810 0.000) 8.810 4.148 ( 0.000 4.928 0.000) 4.928 4.238 ( 0.000 -1.178 0.000) 1.178 4.327 ( 0.000 5.941 0.000) 5.941 4.426 ( 0.000 -2.146 0.000) 2.146 4.674 ( 0.000 7.443 0.000) 7.443 4.879 ( 0.000 0.027 0.000) 0.027 4.961 ( 0.000 -0.684 0.000) 0.684 5.342 ( 0.000 -5.886 0.000) 5.886 5.368 ( 0.000 -0.518 0.000) 0.518 5.569 ( 0.000 -7.540 0.000) 7.540 5.682 ( 0.000 2.774 0.000) 2.774 5.965 ( 0.000 15.438 0.000) 15.438 6.032 ( 0.000 0.205 0.000) 0.205 6.125 ( 0.000 -11.420 0.000) 11.420 6.270 ( 0.000 -0.543 0.000) 0.543 6.498 ( 0.000 3.360 0.000) 3.360 6.508 ( 0.000 -11.065 0.000) 11.065 6.510 ( 0.000 22.712 0.000) 22.712 7.033 ( 0.000 8.102 0.000) 8.102 7.108 ( 0.000 4.165 0.000) 4.165 7.184 ( 0.000 -6.391 0.000) 6.391 7.422 ( 0.000 9.676 0.000) 9.676 8.005 ( 0.000 -0.531 0.000) 0.531 8.042 ( 0.000 3.657 0.000) 3.657 8.044 ( 0.000 -0.340 0.000) 0.340 8.316 ( 0.000 10.032 0.000) 10.032 8.768 ( 0.000 -0.598 0.000) 0.598 8.879 ( 0.000 -5.656 0.000) 5.656 8.953 ( 0.000 2.736 0.000) 2.736 9.038 ( 0.000 -5.812 0.000) 5.812 9.051 ( 0.000 -4.254 0.000) 4.254 9.462 ( 0.000 -2.816 0.000) 2.816 10.091 ( 0.000 8.035 0.000) 8.035 10.466 ( 0.000 -20.492 0.000) 20.492 10.653 ( 0.000 0.644 0.000) 0.644 10.766 ( 0.000 -0.704 0.000) 0.704 11.894 ( 0.000 8.009 0.000) 8.009 12.034 ( 0.000 5.948 0.000) 5.948 12.257 ( 0.000 5.977 0.000) 5.977 12.811 ( 0.000 -31.413 0.000) 31.413 13.137 ( 0.000 -6.356 0.000) 6.356 13.258 ( 0.000 -15.751 0.000) 15.751 13.740 ( 0.000 -22.266 0.000) 22.266 14.113 ( 0.000 0.413 0.000) 0.413 14.185 ( 0.000 0.088 0.000) 0.088 14.301 ( 0.000 0.584 0.000) 0.584 14.398 ( 0.000 -0.842 0.000) 0.842 14.490 ( 0.000 15.869 0.000) 15.869 14.684 ( 0.000 6.041 0.000) 6.041 14.873 ( 0.000 38.038 0.000) 38.038 17.374 ( 0.000 -8.524 0.000) 8.524 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 28.313 21.164 0.000) 35.349 1.070 ( 26.531 26.547 0.000) 37.532 1.787 ( 47.567 42.373 0.000) 63.703 2.798 ( 6.643 -0.915 0.000) 6.706 2.921 ( 6.157 -6.794 0.000) 9.169 3.286 ( 1.336 6.668 0.000) 6.801 3.558 ( 4.799 -11.022 0.000) 12.022 3.665 ( -9.645 -1.519 0.000) 9.764 4.017 ( -4.280 -4.363 0.000) 6.112 4.151 ( -3.091 -3.549 0.000) 4.706 4.268 ( -1.494 -5.346 0.000) 5.551 4.337 ( 2.626 2.067 0.000) 3.342 4.515 ( 1.529 -1.515 0.000) 2.152 4.594 ( -23.640 3.791 0.000) 23.942 4.634 ( 1.773 9.153 0.000) 9.323 4.934 ( 2.166 0.463 0.000) 2.215 5.003 ( -14.422 -2.993 0.000) 14.729 5.517 ( -4.483 -9.797 0.000) 10.774 5.548 ( 6.203 5.554 0.000) 8.326 5.686 ( -0.301 -0.660 0.000) 0.725 5.963 ( -3.264 7.021 0.000) 7.743 6.019 ( -5.023 8.463 0.000) 9.841 6.108 ( 4.041 -10.888 0.000) 11.613 6.321 ( -4.548 9.737 0.000) 10.746 6.322 ( 7.690 -4.638 0.000) 8.980 6.650 ( 8.121 -9.382 0.000) 12.409 6.800 ( 12.399 4.001 0.000) 13.028 7.056 ( -0.871 3.880 0.000) 3.977 7.063 ( 3.778 4.409 0.000) 5.806 7.297 ( 8.197 -0.636 0.000) 8.222 7.372 ( -3.952 10.750 0.000) 11.454 7.987 ( -2.048 -3.755 0.000) 4.277 8.016 ( 1.043 -1.399 0.000) 1.745 8.267 ( 16.645 6.876 0.000) 18.009 8.336 ( 1.581 9.931 0.000) 10.056 8.738 ( -2.568 12.133 0.000) 12.402 8.801 ( -5.631 -6.161 0.000) 8.346 8.919 ( -3.724 3.483 0.000) 5.099 9.004 ( -3.195 -5.407 0.000) 6.280 9.087 ( -0.354 -4.032 0.000) 4.047 9.456 ( 1.722 -3.410 0.000) 3.820 10.242 ( 6.376 -5.600 0.000) 8.486 10.461 ( -0.703 -17.743 0.000) 17.757 10.628 ( -4.437 3.958 0.000) 5.946 10.833 ( 5.998 -1.132 0.000) 6.104 11.802 ( -7.935 0.273 0.000) 7.939 12.038 ( -1.101 9.916 0.000) 9.977 12.220 ( 2.291 9.907 0.000) 10.169 12.711 ( -9.946 -31.507 0.000) 33.039 12.829 ( -20.700 -5.359 0.000) 21.382 13.139 ( -9.304 -5.785 0.000) 10.956 13.914 ( 8.971 -20.060 0.000) 21.975 14.021 ( -3.916 -4.706 0.000) 6.122 14.207 ( -2.388 -7.378 0.000) 7.755 14.243 ( -5.831 0.460 0.000) 5.850 14.331 ( -6.088 -0.385 0.000) 6.100 14.680 ( 18.097 13.403 0.000) 22.520 14.790 ( 9.852 6.209 0.000) 11.645 15.001 ( 11.214 34.833 0.000) 36.593 17.364 ( -3.302 -6.494 0.000) 7.285 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 30.727 9.651 0.000) 32.207 1.650 ( 30.029 14.840 0.000) 33.495 2.796 ( 41.198 24.617 0.000) 47.993 2.991 ( 16.566 -1.175 0.000) 16.607 3.068 ( 7.208 -7.800 0.000) 10.621 3.353 ( 1.965 -0.534 0.000) 2.036 3.492 ( -6.374 1.136 0.000) 6.475 3.805 ( 15.896 -9.185 0.000) 18.359 3.848 ( -10.661 0.944 0.000) 10.703 4.030 ( -8.254 0.178 0.000) 8.256 4.186 ( -2.540 2.303 0.000) 3.428 4.216 ( -5.945 -9.690 0.000) 11.368 4.440 ( -2.902 -1.141 0.000) 3.119 4.468 ( -2.887 1.649 0.000) 3.325 4.650 ( -15.843 8.738 0.000) 18.092 4.732 ( 0.395 -3.295 0.000) 3.319 4.917 ( 0.356 2.910 0.000) 2.931 5.429 ( -5.291 -4.706 0.000) 7.081 5.580 ( -4.722 -5.720 0.000) 7.417 5.794 ( -5.681 5.601 0.000) 7.978 5.801 ( 11.579 -5.541 0.000) 12.836 6.095 ( 7.639 15.923 0.000) 17.660 6.167 ( 3.531 -1.687 0.000) 3.913 6.249 ( -3.785 5.072 0.000) 6.328 6.503 ( 8.281 -7.704 0.000) 11.310 6.812 ( 7.779 -5.618 0.000) 9.595 6.870 ( -2.417 -3.469 0.000) 4.228 7.163 ( 4.295 1.642 0.000) 4.598 7.187 ( 10.229 4.361 0.000) 11.120 7.322 ( 0.577 12.175 0.000) 12.189 7.486 ( 9.975 6.700 0.000) 12.016 7.957 ( -0.401 -7.381 0.000) 7.392 8.041 ( 1.035 -3.211 0.000) 3.374 8.346 ( -2.037 8.259 0.000) 8.506 8.628 ( 10.315 9.251 0.000) 13.855 8.680 ( 2.331 9.420 0.000) 9.704 8.692 ( -4.438 -6.059 0.000) 7.510 8.814 ( -6.941 2.566 0.000) 7.400 8.940 ( -0.513 -0.699 0.000) 0.867 8.943 ( -11.312 -0.518 0.000) 11.324 9.612 ( 12.957 -4.810 0.000) 13.821 10.247 ( -8.233 0.620 0.000) 8.256 10.424 ( -3.503 -10.717 0.000) 11.275 10.528 ( -1.139 4.651 0.000) 4.789 10.956 ( 4.456 -2.499 0.000) 5.109 11.621 ( -9.005 -6.416 0.000) 11.057 11.890 ( -14.949 4.007 0.000) 15.477 12.375 ( 8.382 1.238 0.000) 8.473 12.442 ( -12.019 -21.385 0.000) 24.531 12.563 ( -2.492 1.181 0.000) 2.758 12.977 ( -5.353 0.470 0.000) 5.373 13.886 ( -10.344 -10.850 0.000) 14.991 14.024 ( 2.904 -15.306 0.000) 15.579 14.069 ( -11.165 0.480 0.000) 11.176 14.155 ( -11.221 -0.638 0.000) 11.239 14.156 ( -1.682 -9.888 0.000) 10.030 15.036 ( 13.727 6.896 0.000) 15.362 15.152 ( 26.235 7.826 0.000) 27.378 15.256 ( 12.569 27.881 0.000) 30.583 17.228 ( -9.834 -3.022 0.000) 10.288 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 26.316 1.986 0.000) 26.390 2.253 ( 29.141 5.676 0.000) 29.688 3.060 ( 2.137 -3.487 0.000) 4.089 3.163 ( 1.679 -6.688 0.000) 6.896 3.249 ( -0.659 1.942 0.000) 2.050 3.442 ( 1.310 1.970 0.000) 2.366 3.629 ( -10.555 0.363 0.000) 10.561 3.662 ( 1.927 -4.807 0.000) 5.179 3.848 ( 17.959 11.520 0.000) 21.336 4.013 ( -13.148 -9.953 0.000) 16.491 4.055 ( -10.678 -8.215 0.000) 13.472 4.316 ( 5.200 6.298 0.000) 8.167 4.390 ( -5.314 6.173 0.000) 8.145 4.401 ( 13.181 6.530 0.000) 14.710 4.605 ( -8.210 -6.104 0.000) 10.230 4.624 ( 17.398 9.599 0.000) 19.871 5.038 ( 7.801 2.149 0.000) 8.092 5.246 ( -11.443 6.011 0.000) 12.926 5.488 ( -3.665 -8.554 0.000) 9.305 5.798 ( 3.993 -1.744 0.000) 4.357 5.955 ( 2.590 -10.943 0.000) 11.246 6.132 ( -8.725 4.185 0.000) 9.677 6.285 ( 10.375 13.437 0.000) 16.976 6.331 ( 12.783 1.529 0.000) 12.874 6.652 ( 7.624 -2.194 0.000) 7.933 6.830 ( -0.433 -2.337 0.000) 2.377 6.946 ( 5.272 0.176 0.000) 5.275 7.186 ( -0.564 5.592 0.000) 5.620 7.339 ( 3.930 -0.508 0.000) 3.963 7.417 ( 6.850 3.992 0.000) 7.928 7.634 ( 1.611 9.417 0.000) 9.554 7.993 ( 4.280 -10.559 0.000) 11.393 8.003 ( -7.304 -3.087 0.000) 7.930 8.248 ( -4.614 6.653 0.000) 8.096 8.547 ( -14.843 -5.310 0.000) 15.764 8.552 ( -6.132 17.344 0.000) 18.396 8.620 ( -4.002 -5.317 0.000) 6.655 8.731 ( -4.132 -10.652 0.000) 11.425 8.895 ( 6.991 9.677 0.000) 11.938 9.201 ( 21.238 9.295 0.000) 23.183 9.933 ( 18.192 -5.701 0.000) 19.064 9.945 ( -18.896 9.979 0.000) 21.369 10.296 ( -9.632 -3.048 0.000) 10.103 10.606 ( 7.219 -0.399 0.000) 7.230 10.948 ( -6.250 -4.781 0.000) 7.869 11.417 ( -14.834 -4.967 0.000) 15.643 11.594 ( -7.180 -4.732 0.000) 8.599 12.097 ( -15.983 -15.897 0.000) 22.543 12.668 ( 10.401 1.286 0.000) 10.480 12.696 ( 17.381 1.947 0.000) 17.490 12.963 ( 4.439 0.503 0.000) 4.467 13.627 ( -14.372 -10.297 0.000) 17.680 13.797 ( -15.565 0.493 0.000) 15.573 13.882 ( -15.231 -0.484 0.000) 15.239 14.068 ( 1.461 -13.198 0.000) 13.279 14.132 ( -0.904 -11.509 0.000) 11.544 15.301 ( 11.892 8.667 0.000) 14.715 15.467 ( 7.756 21.028 0.000) 22.413 15.689 ( 26.174 4.298 0.000) 26.524 16.976 ( -15.016 -1.001 0.000) 15.049 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 18.235 -4.581 0.000) 18.802 2.779 ( 18.348 -0.674 0.000) 18.361 3.030 ( -1.165 -5.682 0.000) 5.800 3.152 ( -2.375 0.809 0.000) 2.509 3.204 ( -2.579 -1.882 0.000) 3.193 3.349 ( -15.476 -5.700 0.000) 16.492 3.550 ( 6.113 0.107 0.000) 6.114 3.633 ( 0.611 -3.470 0.000) 3.523 3.781 ( -7.361 -9.200 0.000) 11.782 3.798 ( -10.604 -7.844 0.000) 13.190 4.186 ( 13.052 9.652 0.000) 16.233 4.283 ( -2.096 15.975 0.000) 16.112 4.292 ( -3.184 11.462 0.000) 11.896 4.424 ( -10.409 3.186 0.000) 10.886 4.755 ( 15.099 4.047 0.000) 15.632 5.009 ( -11.074 6.480 0.000) 12.830 5.128 ( 18.299 2.947 0.000) 18.535 5.182 ( 4.848 -2.567 0.000) 5.486 5.492 ( 9.316 -5.080 0.000) 10.611 5.861 ( -17.089 2.358 0.000) 17.251 5.888 ( 2.769 -4.230 0.000) 5.056 5.950 ( -2.109 -7.968 0.000) 8.242 6.473 ( 7.115 6.985 0.000) 9.970 6.526 ( 3.070 -2.189 0.000) 3.771 6.869 ( 4.037 2.170 0.000) 4.583 6.884 ( 12.428 6.570 0.000) 14.058 7.006 ( 3.424 7.839 0.000) 8.555 7.248 ( 9.357 -2.917 0.000) 9.801 7.288 ( -11.493 2.107 0.000) 11.685 7.497 ( -11.975 0.895 0.000) 12.008 7.547 ( 6.063 1.572 0.000) 6.264 7.732 ( -14.695 0.240 0.000) 14.697 8.123 ( 8.044 -11.615 0.000) 14.129 8.256 ( 1.433 4.877 0.000) 5.083 8.326 ( -5.085 -3.025 0.000) 5.917 8.418 ( -6.929 15.152 0.000) 16.661 8.587 ( 0.930 -5.944 0.000) 6.016 8.641 ( -3.970 -8.521 0.000) 9.401 9.143 ( 16.390 12.268 0.000) 20.473 9.502 ( -13.774 12.299 0.000) 18.466 9.671 ( 14.152 6.155 0.000) 15.433 10.030 ( -16.257 1.949 0.000) 16.373 10.326 ( 19.911 -6.209 0.000) 20.857 10.704 ( -15.954 -6.164 0.000) 17.103 10.800 ( 11.033 -1.548 0.000) 11.141 11.078 ( -16.021 -2.028 0.000) 16.149 11.609 ( 6.221 -8.782 0.000) 10.762 11.804 ( -12.577 -10.651 0.000) 16.481 12.923 ( 13.775 -2.842 0.000) 14.065 13.068 ( 18.741 0.857 0.000) 18.761 13.102 ( 3.765 -1.380 0.000) 4.010 13.374 ( -5.369 -5.912 0.000) 7.986 13.451 ( -18.359 0.626 0.000) 18.370 13.558 ( -15.895 -0.683 0.000) 15.909 14.093 ( 1.117 -12.420 0.000) 12.470 14.114 ( -0.959 -12.062 0.000) 12.100 15.492 ( 6.538 11.487 0.000) 13.217 15.553 ( 0.601 15.548 0.000) 15.559 16.192 ( 23.406 2.202 0.000) 23.509 16.627 ( -19.541 0.585 0.000) 19.550 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.000 32.692 0.000) 32.692 1.384 ( 0.000 35.532 0.000) 35.532 2.369 ( 0.000 54.743 0.000) 54.743 2.669 ( 0.000 -13.754 0.000) 13.754 2.727 ( 0.000 3.150 0.000) 3.150 3.126 ( 0.000 -19.134 0.000) 19.134 3.227 ( 0.000 -14.947 0.000) 14.947 3.715 ( 0.000 -3.824 0.000) 3.824 3.853 ( 0.000 -8.461 0.000) 8.461 4.208 ( 0.000 1.407 0.000) 1.407 4.215 ( 0.000 -1.015 0.000) 1.015 4.365 ( 0.000 -2.311 0.000) 2.311 4.410 ( 0.000 2.467 0.000) 2.467 4.832 ( 0.000 -17.606 0.000) 17.606 4.868 ( 0.000 10.952 0.000) 10.952 4.893 ( 0.000 1.924 0.000) 1.924 5.238 ( 0.000 -1.737 0.000) 1.737 5.357 ( 0.000 -0.812 0.000) 0.812 5.450 ( 0.000 -4.519 0.000) 4.519 5.757 ( 0.000 4.950 0.000) 4.950 5.887 ( 0.000 -13.486 0.000) 13.486 6.012 ( 0.000 -2.422 0.000) 2.422 6.247 ( 0.000 -1.846 0.000) 1.846 6.282 ( 0.000 17.141 0.000) 17.141 6.313 ( 0.000 -8.327 0.000) 8.327 6.556 ( 0.000 2.945 0.000) 2.945 6.961 ( 0.000 6.712 0.000) 6.712 7.143 ( 0.000 -1.910 0.000) 1.910 7.167 ( 0.000 22.833 0.000) 22.833 7.245 ( 0.000 13.707 0.000) 13.707 7.605 ( 0.000 8.396 0.000) 8.396 8.031 ( 0.000 -0.625 0.000) 0.625 8.036 ( 0.000 4.674 0.000) 4.674 8.117 ( 0.000 3.500 0.000) 3.500 8.548 ( 0.000 13.350 0.000) 13.350 8.737 ( 0.000 -8.276 0.000) 8.276 8.755 ( 0.000 -0.631 0.000) 0.631 8.881 ( 0.000 -11.167 0.000) 11.167 8.904 ( 0.000 -7.623 0.000) 7.623 9.060 ( 0.000 5.229 0.000) 5.229 9.390 ( 0.000 -4.771 0.000) 4.771 9.958 ( 0.000 -32.309 0.000) 32.309 10.321 ( 0.000 16.890 0.000) 16.890 10.670 ( 0.000 1.155 0.000) 1.155 10.748 ( 0.000 -1.214 0.000) 1.214 12.080 ( 0.000 -41.797 0.000) 41.797 12.092 ( 0.000 12.655 0.000) 12.655 12.183 ( 0.000 9.483 0.000) 9.483 12.411 ( 0.000 10.231 0.000) 10.231 12.986 ( 0.000 -9.166 0.000) 9.166 13.050 ( 0.000 -10.081 0.000) 10.081 13.322 ( 0.000 -21.960 0.000) 21.960 14.124 ( 0.000 0.756 0.000) 0.756 14.176 ( 0.000 -0.784 0.000) 0.784 14.315 ( 0.000 0.898 0.000) 0.898 14.380 ( 0.000 -1.143 0.000) 1.143 14.738 ( 0.000 10.431 0.000) 10.431 14.807 ( 0.000 6.254 0.000) 6.254 15.585 ( 0.000 36.948 0.000) 36.948 17.137 ( 0.000 -16.809 0.000) 16.809 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 16.363 26.643 0.000) 31.267 1.622 ( 18.587 31.335 0.000) 36.433 2.653 ( 25.947 37.596 0.000) 45.681 2.727 ( 5.386 -14.005 0.000) 15.005 2.820 ( 9.592 12.325 0.000) 15.617 3.181 ( 3.683 -12.040 0.000) 12.591 3.268 ( 6.811 -19.940 0.000) 21.071 3.639 ( -5.877 -0.916 0.000) 5.948 3.888 ( 1.541 -8.352 0.000) 8.493 4.145 ( -2.967 1.503 0.000) 3.326 4.234 ( -7.746 1.313 0.000) 7.857 4.314 ( 4.453 -3.617 0.000) 5.737 4.497 ( 2.626 -1.251 0.000) 2.909 4.597 ( -17.956 -5.207 0.000) 18.696 4.739 ( -5.038 2.933 0.000) 5.829 4.970 ( -0.505 1.767 0.000) 1.838 5.058 ( -8.885 6.901 0.000) 11.250 5.402 ( -1.854 -1.059 0.000) 2.135 5.590 ( 8.743 -6.909 0.000) 11.143 5.657 ( -7.010 1.481 0.000) 7.165 5.876 ( -4.848 -9.465 0.000) 10.635 5.879 ( -1.323 -8.956 0.000) 9.054 6.304 ( 6.386 0.591 0.000) 6.413 6.314 ( 3.031 16.658 0.000) 16.932 6.492 ( 11.386 -7.204 0.000) 13.474 6.514 ( -3.609 8.270 0.000) 9.023 6.875 ( -4.787 -0.084 0.000) 4.788 7.186 ( 3.659 4.728 0.000) 5.979 7.204 ( -1.648 10.075 0.000) 10.209 7.353 ( 13.922 15.238 0.000) 20.641 7.548 ( -3.567 6.433 0.000) 7.356 7.951 ( -4.260 1.197 0.000) 4.425 8.044 ( 0.958 5.559 0.000) 5.641 8.352 ( 14.802 0.755 0.000) 14.821 8.568 ( 1.202 14.204 0.000) 14.255 8.640 ( -6.514 -10.712 0.000) 12.537 8.858 ( 4.645 0.118 0.000) 4.647 8.922 ( 4.442 -0.826 0.000) 4.518 8.937 ( 0.503 -6.776 0.000) 6.794 9.035 ( -1.768 3.438 0.000) 3.866 9.371 ( 0.018 -5.484 0.000) 5.484 9.995 ( 3.524 -30.819 0.000) 31.020 10.304 ( -1.007 11.384 0.000) 11.428 10.697 ( 0.849 3.993 0.000) 4.082 10.802 ( 4.722 -2.155 0.000) 5.190 11.874 ( -14.839 7.026 0.000) 16.418 12.019 ( -5.769 -39.488 0.000) 39.907 12.213 ( -5.765 6.928 0.000) 9.013 12.411 ( 1.100 10.621 0.000) 10.678 12.734 ( -12.277 -2.556 0.000) 12.540 13.007 ( -3.796 -8.494 0.000) 9.304 13.523 ( 10.802 -21.201 0.000) 23.794 13.993 ( -10.199 0.323 0.000) 10.204 14.103 ( -6.954 -3.937 0.000) 7.992 14.255 ( -5.849 0.871 0.000) 5.913 14.316 ( -6.062 -1.009 0.000) 6.146 14.894 ( 14.367 9.018 0.000) 16.963 14.921 ( 10.974 6.871 0.000) 12.948 15.667 ( 7.138 35.126 0.000) 35.844 17.155 ( 0.148 -15.735 0.000) 15.736 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 21.236 15.879 0.000) 26.516 2.012 ( 19.637 23.043 0.000) 30.275 2.860 ( 6.979 -14.308 0.000) 15.920 2.920 ( 5.556 -2.246 0.000) 5.993 3.200 ( 0.242 -7.762 0.000) 7.766 3.420 ( 27.778 12.373 0.000) 30.409 3.516 ( -5.657 1.974 0.000) 5.991 3.529 ( 23.475 -0.264 0.000) 23.476 3.852 ( -5.908 -2.703 0.000) 6.497 4.081 ( -7.588 -1.996 0.000) 7.846 4.138 ( 3.947 4.056 0.000) 5.659 4.268 ( -10.100 2.577 0.000) 10.424 4.347 ( -1.916 1.094 0.000) 2.206 4.495 ( -1.233 -0.891 0.000) 1.521 4.627 ( -8.271 -3.810 0.000) 9.106 4.910 ( -4.279 14.860 0.000) 15.463 4.949 ( 2.433 -2.085 0.000) 3.204 5.419 ( 1.687 4.522 0.000) 4.826 5.486 ( -9.332 -3.659 0.000) 10.024 5.675 ( 2.891 -8.109 0.000) 8.609 5.821 ( -4.137 -2.965 0.000) 5.090 5.954 ( 9.516 -19.190 0.000) 21.420 6.377 ( 0.106 10.522 0.000) 10.522 6.454 ( 0.681 18.095 0.000) 18.108 6.477 ( 10.101 3.309 0.000) 10.629 6.716 ( 10.642 -4.922 0.000) 11.725 6.793 ( -3.333 -4.931 0.000) 5.952 7.212 ( 1.782 4.598 0.000) 4.932 7.282 ( 5.307 2.292 0.000) 5.781 7.518 ( 1.014 5.736 0.000) 5.825 7.619 ( 10.497 8.547 0.000) 13.537 7.854 ( -4.950 -0.422 0.000) 4.968 8.082 ( 2.615 9.760 0.000) 10.104 8.463 ( -8.845 -4.332 0.000) 9.849 8.537 ( 1.334 -11.657 0.000) 11.733 8.610 ( -0.053 5.838 0.000) 5.838 8.809 ( -12.797 -2.936 0.000) 13.130 8.993 ( 5.860 14.414 0.000) 15.560 8.994 ( -0.375 6.291 0.000) 6.302 9.028 ( 9.974 9.394 0.000) 13.701 9.489 ( 11.542 -8.140 0.000) 14.123 10.084 ( 4.661 -25.676 0.000) 26.095 10.285 ( -1.797 5.119 0.000) 5.425 10.660 ( -3.865 9.100 0.000) 9.887 10.883 ( 1.581 -5.382 0.000) 5.609 11.563 ( -14.857 0.774 0.000) 14.877 11.868 ( -8.540 -33.406 0.000) 34.480 11.893 ( -21.709 -3.793 0.000) 22.038 12.503 ( 8.568 7.514 0.000) 11.396 12.664 ( 2.790 10.336 0.000) 10.705 12.932 ( -2.379 -4.898 0.000) 5.445 13.679 ( 5.088 -20.462 0.000) 21.085 13.756 ( -13.134 -3.111 0.000) 13.497 13.963 ( -5.653 -9.404 0.000) 10.972 14.082 ( -11.182 0.866 0.000) 11.216 14.140 ( -11.275 -0.931 0.000) 11.313 15.186 ( 15.265 8.257 0.000) 17.356 15.290 ( 22.480 5.956 0.000) 23.256 15.820 ( 6.917 30.749 0.000) 31.518 17.097 ( -6.213 -11.496 0.000) 13.067 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 18.470 5.963 0.000) 19.409 2.414 ( 20.098 11.430 0.000) 23.121 2.959 ( -1.789 -6.053 0.000) 6.311 2.981 ( 4.524 -13.061 0.000) 13.823 3.191 ( -2.079 -7.461 0.000) 7.745 3.438 ( -1.495 -0.514 0.000) 1.581 3.521 ( 0.350 -13.182 0.000) 13.187 3.656 ( -13.623 -0.718 0.000) 13.641 3.901 ( -9.252 0.485 0.000) 9.265 3.949 ( -10.169 5.107 0.000) 11.379 4.186 ( 7.055 10.139 0.000) 12.352 4.425 ( 28.916 13.249 0.000) 31.807 4.442 ( -4.672 -10.279 0.000) 11.291 4.522 ( 0.025 8.608 0.000) 8.608 4.547 ( 15.358 8.611 0.000) 17.608 4.901 ( 7.736 17.705 0.000) 19.321 5.045 ( 5.339 -3.231 0.000) 6.241 5.332 ( -4.893 -6.649 0.000) 8.255 5.392 ( -5.440 9.006 0.000) 10.521 5.732 ( 2.201 -12.883 0.000) 13.070 5.752 ( -1.612 -3.351 0.000) 3.719 6.189 ( 12.944 -15.677 0.000) 20.330 6.271 ( -9.041 10.303 0.000) 13.707 6.536 ( 3.169 11.975 0.000) 12.388 6.702 ( 12.642 5.467 0.000) 13.773 6.774 ( 3.189 -2.599 0.000) 4.114 6.926 ( 10.613 -2.111 0.000) 10.821 7.230 ( -1.264 1.643 0.000) 2.073 7.373 ( 2.958 0.537 0.000) 3.007 7.580 ( 4.390 8.721 0.000) 9.764 7.709 ( -2.608 0.426 0.000) 2.643 7.783 ( -0.935 -8.173 0.000) 8.226 8.051 ( -9.613 8.397 0.000) 12.763 8.313 ( -5.664 -5.786 0.000) 8.097 8.458 ( -14.958 -5.304 0.000) 15.871 8.486 ( -4.108 -14.345 0.000) 14.922 8.623 ( 0.712 14.338 0.000) 14.355 8.967 ( -4.370 24.234 0.000) 24.625 9.105 ( 11.240 12.557 0.000) 16.853 9.378 ( 19.073 8.690 0.000) 20.959 9.784 ( 16.719 -10.139 0.000) 19.553 10.144 ( 0.166 -15.031 0.000) 15.032 10.151 ( -12.679 10.714 0.000) 16.600 10.632 ( 2.967 4.583 0.000) 5.460 10.812 ( -9.074 -9.846 0.000) 13.390 11.306 ( -11.061 -5.304 0.000) 12.266 11.476 ( -16.699 -7.039 0.000) 18.122 11.688 ( -9.270 -26.249 0.000) 27.838 12.750 ( 15.319 3.691 0.000) 15.757 12.769 ( 7.022 9.925 0.000) 12.158 12.960 ( 5.761 -1.250 0.000) 5.895 13.480 ( -13.544 -3.984 0.000) 14.117 13.750 ( 1.771 -18.757 0.000) 18.840 13.813 ( -14.717 0.211 0.000) 14.718 13.869 ( -15.259 -0.867 0.000) 15.283 13.879 ( -2.983 -14.193 0.000) 14.503 15.494 ( 14.486 10.845 0.000) 18.096 15.762 ( 23.488 2.694 0.000) 23.642 15.916 ( 2.108 25.139 0.000) 25.228 16.908 ( -12.318 -7.040 0.000) 14.188 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 13.244 -1.450 0.000) 13.324 2.772 ( 6.121 -0.283 0.000) 6.128 2.900 ( 4.740 -6.077 0.000) 7.707 3.036 ( 0.741 -11.155 0.000) 11.180 3.132 ( -1.686 -4.771 0.000) 5.060 3.310 ( -18.391 -0.700 0.000) 18.405 3.465 ( 3.433 -8.033 0.000) 8.736 3.536 ( -1.219 -14.256 0.000) 14.308 3.758 ( -4.592 10.916 0.000) 11.842 3.769 ( -3.812 7.997 0.000) 8.859 4.307 ( 4.971 0.439 0.000) 4.990 4.375 ( -2.371 -5.460 0.000) 5.953 4.539 ( 1.213 12.513 0.000) 12.572 4.587 ( -3.324 16.159 0.000) 16.498 4.890 ( 15.907 8.386 0.000) 17.982 5.107 ( -2.272 -2.501 0.000) 3.379 5.223 ( 1.246 5.736 0.000) 5.870 5.240 ( -5.847 12.348 0.000) 13.662 5.467 ( 28.839 6.251 0.000) 29.509 5.750 ( 0.556 -8.246 0.000) 8.265 5.757 ( 0.379 -12.082 0.000) 12.088 5.990 ( -19.694 10.155 0.000) 22.158 6.421 ( 8.674 -9.402 0.000) 12.792 6.532 ( -2.878 -1.161 0.000) 3.104 6.926 ( 9.877 3.593 0.000) 10.510 7.003 ( 14.677 4.501 0.000) 15.352 7.145 ( -2.884 5.605 0.000) 6.304 7.176 ( 13.196 -2.654 0.000) 13.460 7.343 ( -8.315 -0.390 0.000) 8.324 7.507 ( -16.156 3.054 0.000) 16.442 7.657 ( 3.163 10.293 0.000) 10.768 7.781 ( -11.718 5.430 0.000) 12.915 7.854 ( 7.772 -15.965 0.000) 17.756 8.067 ( -13.123 -12.890 0.000) 18.394 8.370 ( 0.914 -8.695 0.000) 8.743 8.411 ( -3.014 -12.404 0.000) 12.765 8.711 ( 6.518 24.262 0.000) 25.123 8.850 ( -6.764 26.504 0.000) 27.354 9.414 ( 18.275 16.067 0.000) 24.333 9.725 ( 8.586 7.282 0.000) 11.258 9.833 ( -11.352 12.775 0.000) 17.090 10.015 ( -6.555 -6.469 0.000) 9.209 10.181 ( 15.700 -7.939 0.000) 17.593 10.538 ( -16.859 -11.230 0.000) 20.257 10.773 ( 10.204 -0.700 0.000) 10.228 11.030 ( -14.766 -2.854 0.000) 15.040 11.355 ( 3.044 -16.919 0.000) 17.191 11.496 ( -9.296 -21.515 0.000) 23.437 12.939 ( 9.667 5.644 0.000) 11.195 13.092 ( 13.894 2.136 0.000) 14.057 13.106 ( 4.683 2.150 0.000) 5.153 13.283 ( 1.551 -3.229 0.000) 3.582 13.467 ( -18.064 1.062 0.000) 18.096 13.541 ( -16.542 -1.131 0.000) 16.580 13.795 ( 1.776 -18.370 0.000) 18.456 13.832 ( -1.944 -16.951 0.000) 17.062 15.748 ( 10.246 14.594 0.000) 17.832 15.896 ( -4.223 19.473 0.000) 19.926 16.217 ( 21.190 -0.291 0.000) 21.192 16.607 ( -17.290 -3.396 0.000) 17.620 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 28.338 0.000) 28.338 2.018 ( 0.000 32.077 0.000) 32.077 2.338 ( 0.000 -21.686 0.000) 21.686 2.545 ( 0.000 -21.346 0.000) 21.346 2.845 ( 0.000 0.461 0.000) 0.461 2.977 ( 0.000 -11.159 0.000) 11.159 3.459 ( 0.000 49.582 0.000) 49.582 3.673 ( 0.000 -0.103 0.000) 0.103 3.721 ( 0.000 -5.152 0.000) 5.152 4.206 ( 0.000 0.135 0.000) 0.135 4.208 ( 0.000 -2.705 0.000) 2.705 4.297 ( 0.000 -36.052 0.000) 36.052 4.366 ( 0.000 2.060 0.000) 2.060 4.412 ( 0.000 -1.939 0.000) 1.939 4.955 ( 0.000 4.136 0.000) 4.136 4.999 ( 0.000 1.466 0.000) 1.466 5.273 ( 0.000 3.455 0.000) 3.455 5.329 ( 0.000 -2.272 0.000) 2.272 5.450 ( 0.000 5.810 0.000) 5.810 5.638 ( 0.000 -12.685 0.000) 12.685 5.855 ( 0.000 5.317 0.000) 5.317 5.947 ( 0.000 -4.414 0.000) 4.414 6.212 ( 0.000 -1.363 0.000) 1.363 6.216 ( 0.000 -2.259 0.000) 2.259 6.550 ( 0.000 9.604 0.000) 9.604 6.605 ( 0.000 1.645 0.000) 1.645 6.929 ( 0.000 0.347 0.000) 0.347 7.035 ( 0.000 -8.328 0.000) 8.328 7.500 ( 0.000 12.415 0.000) 12.415 7.662 ( 0.000 -3.554 0.000) 3.554 7.826 ( 0.000 35.641 0.000) 35.641 8.060 ( 0.000 4.244 0.000) 4.244 8.136 ( 0.000 -2.082 0.000) 2.082 8.152 ( 0.000 3.969 0.000) 3.969 8.522 ( 0.000 -8.816 0.000) 8.816 8.591 ( 0.000 -18.232 0.000) 18.232 8.750 ( 0.000 0.379 0.000) 0.379 8.788 ( 0.000 -4.179 0.000) 4.179 8.887 ( 0.000 19.212 0.000) 19.212 9.168 ( 0.000 5.289 0.000) 5.289 9.290 ( 0.000 -5.787 0.000) 5.787 9.352 ( 0.000 -29.228 0.000) 29.228 10.695 ( 0.000 1.442 0.000) 1.442 10.722 ( 0.000 -1.138 0.000) 1.138 10.732 ( 0.000 27.045 0.000) 27.045 11.336 ( 0.000 -36.932 0.000) 36.932 12.327 ( 0.000 10.258 0.000) 10.258 12.352 ( 0.000 6.878 0.000) 6.878 12.623 ( 0.000 12.075 0.000) 12.075 12.838 ( 0.000 -4.201 0.000) 4.201 12.847 ( 0.000 -11.685 0.000) 11.685 12.953 ( 0.000 -15.927 0.000) 15.927 14.141 ( 0.000 0.967 0.000) 0.967 14.159 ( 0.000 -0.999 0.000) 0.999 14.334 ( 0.000 1.162 0.000) 1.162 14.357 ( 0.000 -1.249 0.000) 1.249 14.873 ( 0.000 4.032 0.000) 4.032 14.889 ( 0.000 2.089 0.000) 2.089 16.226 ( 0.000 31.520 0.000) 31.520 16.750 ( 0.000 -24.589 0.000) 24.589 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 9.267 25.344 0.000) 26.985 2.207 ( 15.083 30.948 0.000) 34.428 2.402 ( 5.911 -20.680 0.000) 21.508 2.734 ( 16.276 -19.157 0.000) 25.137 2.855 ( 1.190 -3.022 0.000) 3.248 2.977 ( 0.832 -10.557 0.000) 10.590 3.610 ( 15.257 42.829 0.000) 45.465 3.650 ( -2.059 2.520 0.000) 3.255 3.739 ( 1.029 -6.892 0.000) 6.968 4.156 ( -1.562 -4.432 0.000) 4.699 4.244 ( 0.828 -3.191 0.000) 3.297 4.307 ( -5.028 6.064 0.000) 7.878 4.340 ( 3.553 -19.591 0.000) 19.910 4.429 ( -0.131 -5.975 0.000) 5.976 4.816 ( -8.637 5.785 0.000) 10.395 4.930 ( -7.237 -5.442 0.000) 9.055 5.203 ( -3.878 8.213 0.000) 9.082 5.376 ( 2.966 -11.147 0.000) 11.535 5.493 ( 3.846 9.275 0.000) 10.041 5.689 ( 3.052 -10.881 0.000) 11.301 5.715 ( -11.346 3.353 0.000) 11.831 5.776 ( -11.658 -3.349 0.000) 12.129 6.326 ( 9.789 1.989 0.000) 9.989 6.384 ( 11.728 -4.380 0.000) 12.519 6.554 ( 0.014 8.040 0.000) 8.040 6.624 ( 1.978 1.675 0.000) 2.592 6.886 ( -3.237 5.884 0.000) 6.715 7.077 ( 3.338 -10.976 0.000) 11.473 7.404 ( -5.833 10.387 0.000) 11.913 7.557 ( -6.393 -5.044 0.000) 8.143 7.861 ( 2.370 28.655 0.000) 28.753 8.067 ( -0.811 10.293 0.000) 10.325 8.176 ( 1.990 1.223 0.000) 2.335 8.265 ( 5.673 -9.237 0.000) 10.840 8.458 ( -2.915 -2.198 0.000) 3.651 8.672 ( 4.045 -13.789 0.000) 14.370 8.865 ( 9.953 2.194 0.000) 10.192 8.911 ( 13.052 -1.842 0.000) 13.181 8.921 ( 2.734 17.842 0.000) 18.050 9.138 ( -2.282 6.151 0.000) 6.561 9.259 ( -1.757 -6.303 0.000) 6.543 9.393 ( 4.107 -30.832 0.000) 31.104 10.598 ( -5.610 15.453 0.000) 16.440 10.747 ( 1.617 -3.707 0.000) 4.044 10.825 ( 4.638 13.488 0.000) 14.263 11.313 ( -1.974 -34.629 0.000) 34.685 12.040 ( -18.916 10.106 0.000) 21.447 12.212 ( -18.332 -6.739 0.000) 19.531 12.617 ( -0.045 11.389 0.000) 11.389 12.826 ( -1.695 -10.725 0.000) 10.859 12.829 ( 4.409 12.756 0.000) 13.497 13.141 ( 9.774 -19.348 0.000) 21.676 14.011 ( -11.207 1.497 0.000) 11.306 14.047 ( -10.059 -2.320 0.000) 10.323 14.274 ( -5.886 1.115 0.000) 5.991 14.296 ( -5.960 -1.170 0.000) 6.074 15.009 ( 12.241 3.282 0.000) 12.673 15.015 ( 12.282 2.625 0.000) 12.559 16.281 ( 4.542 30.323 0.000) 30.662 16.786 ( 2.445 -23.634 0.000) 23.760 ======================= Grid point 29 (18/100) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 12.677 18.605 0.000) 22.514 2.476 ( 10.386 25.823 0.000) 27.833 2.550 ( 8.058 -18.283 0.000) 19.980 2.869 ( -0.435 -7.833 0.000) 7.845 3.029 ( 6.622 -8.219 0.000) 10.554 3.074 ( 10.927 -15.332 0.000) 18.828 3.587 ( -4.395 5.887 0.000) 7.346 3.727 ( -3.367 -8.498 0.000) 9.140 4.057 ( 23.718 20.028 0.000) 31.042 4.167 ( -8.184 8.848 0.000) 12.053 4.174 ( 1.354 -0.471 0.000) 1.433 4.255 ( 5.196 6.710 0.000) 8.487 4.356 ( -6.918 -10.543 0.000) 12.610 4.435 ( 7.970 -1.338 0.000) 8.082 4.695 ( -2.311 7.584 0.000) 7.929 4.845 ( 0.634 -7.752 0.000) 7.777 5.164 ( 0.245 12.939 0.000) 12.941 5.449 ( 2.211 -14.869 0.000) 15.033 5.477 ( -10.025 1.026 0.000) 10.078 5.558 ( 1.779 8.862 0.000) 9.039 5.616 ( -0.502 -12.564 0.000) 12.574 5.716 ( -0.644 -7.560 0.000) 7.587 6.538 ( -1.749 7.511 0.000) 7.712 6.550 ( 11.811 4.079 0.000) 12.496 6.629 ( 12.059 -4.416 0.000) 12.842 6.664 ( 0.513 -5.217 0.000) 5.242 6.834 ( -0.608 17.905 0.000) 17.915 7.152 ( 3.759 -14.227 0.000) 14.715 7.333 ( -1.452 7.861 0.000) 7.994 7.480 ( -1.189 -7.032 0.000) 7.132 7.882 ( -0.465 17.429 0.000) 17.435 8.003 ( -4.707 13.550 0.000) 14.344 8.182 ( -2.177 -11.885 0.000) 12.083 8.278 ( -2.997 -15.094 0.000) 15.388 8.421 ( -3.493 12.739 0.000) 13.209 8.643 ( -8.963 -8.423 0.000) 12.300 8.964 ( 2.672 23.297 0.000) 23.450 9.143 ( 4.769 9.085 0.000) 10.261 9.155 ( 16.886 5.821 0.000) 17.862 9.190 ( 12.341 3.341 0.000) 12.785 9.321 ( 9.033 -9.581 0.000) 13.167 9.518 ( 8.204 -32.794 0.000) 33.805 10.479 ( -6.219 14.938 0.000) 16.181 10.737 ( -3.779 -10.346 0.000) 11.015 10.874 ( -0.432 14.182 0.000) 14.189 11.269 ( -2.397 -28.492 0.000) 28.593 11.638 ( -19.882 6.506 0.000) 20.920 11.777 ( -22.536 -7.670 0.000) 23.805 12.655 ( 4.703 8.525 0.000) 9.736 12.810 ( 1.164 -7.815 0.000) 7.902 12.931 ( 4.856 17.494 0.000) 18.156 13.291 ( 5.396 -20.585 0.000) 21.281 13.750 ( -13.623 2.018 0.000) 13.771 13.822 ( -10.697 -5.683 0.000) 12.113 14.101 ( -11.183 1.077 0.000) 11.235 14.121 ( -11.214 -1.094 0.000) 11.267 15.314 ( 17.322 4.851 0.000) 17.989 15.354 ( 19.696 0.655 0.000) 19.707 16.362 ( 2.492 26.753 0.000) 26.869 16.801 ( -1.762 -20.006 0.000) 20.083 ======================= Grid point 30 (19/100) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 11.125 11.558 0.000) 16.042 2.657 ( 8.314 13.367 0.000) 15.741 2.704 ( 6.782 -15.378 0.000) 16.807 2.846 ( -1.701 -6.717 0.000) 6.929 3.091 ( 0.366 -0.883 0.000) 0.956 3.224 ( 3.936 -14.631 0.000) 15.151 3.470 ( -6.859 3.928 0.000) 7.904 3.570 ( -11.868 -6.243 0.000) 13.410 4.027 ( -4.747 10.349 0.000) 11.386 4.097 ( -5.917 7.700 0.000) 9.711 4.204 ( 1.306 -3.627 0.000) 3.855 4.236 ( -3.515 -11.481 0.000) 12.007 4.693 ( 17.749 9.135 0.000) 19.961 4.714 ( 3.206 11.326 0.000) 11.771 4.748 ( 20.737 7.485 0.000) 22.046 4.917 ( 4.992 -9.697 0.000) 10.907 5.192 ( 4.227 12.545 0.000) 13.238 5.371 ( 3.093 13.120 0.000) 13.479 5.480 ( 2.767 -11.624 0.000) 11.949 5.550 ( -2.798 7.575 0.000) 8.075 5.671 ( -3.355 -5.414 0.000) 6.369 5.806 ( 16.094 -23.940 0.000) 28.847 6.464 ( -6.591 9.191 0.000) 11.310 6.600 ( -6.009 -4.993 0.000) 7.812 6.796 ( 12.607 4.340 0.000) 13.333 6.870 ( 12.051 -3.665 0.000) 12.596 6.894 ( 5.603 15.823 0.000) 16.786 7.213 ( 1.780 -15.823 0.000) 15.923 7.314 ( -1.118 7.530 0.000) 7.612 7.491 ( 1.799 -10.674 0.000) 10.824 7.845 ( -3.582 12.948 0.000) 13.434 7.916 ( -3.070 14.744 0.000) 15.060 8.105 ( -6.352 -13.510 0.000) 14.929 8.204 ( -3.392 -15.637 0.000) 16.001 8.214 ( -15.344 7.644 0.000) 17.143 8.346 ( -17.088 -6.461 0.000) 18.268 9.085 ( 7.968 30.528 0.000) 31.551 9.356 ( 15.748 14.358 0.000) 21.311 9.362 ( 4.276 15.279 0.000) 15.866 9.484 ( 14.659 1.223 0.000) 14.710 9.556 ( 12.052 -15.288 0.000) 19.467 9.727 ( 12.557 -27.141 0.000) 29.905 10.338 ( -8.554 10.829 0.000) 13.799 10.583 ( -11.043 -14.137 0.000) 17.939 10.819 ( -3.475 15.425 0.000) 15.812 11.196 ( -5.269 -24.585 0.000) 25.144 11.272 ( -15.740 1.844 0.000) 15.848 11.352 ( -18.773 -5.984 0.000) 19.703 12.828 ( 12.387 4.548 0.000) 13.196 12.910 ( 9.125 -3.891 0.000) 9.920 13.025 ( 4.685 16.918 0.000) 17.554 13.376 ( 3.367 -20.112 0.000) 20.392 13.491 ( -11.612 4.778 0.000) 12.557 13.640 ( -7.282 -10.847 0.000) 13.065 13.830 ( -15.354 1.098 0.000) 15.393 13.851 ( -15.285 -1.085 0.000) 15.323 15.673 ( 17.519 7.732 0.000) 19.149 15.768 ( 20.569 -2.350 0.000) 20.703 16.359 ( -3.061 21.625 0.000) 21.840 16.703 ( -7.975 -14.928 0.000) 16.924 ======================= Grid point 31 (20/100) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 8.195 5.723 0.000) 9.996 2.769 ( -2.832 0.766 0.000) 2.934 2.811 ( 3.389 -11.673 0.000) 12.155 2.815 ( 2.378 -3.706 0.000) 4.403 3.114 ( 4.384 4.057 0.000) 5.973 3.273 ( 2.007 -12.270 0.000) 12.433 3.302 ( -12.800 0.376 0.000) 12.805 3.342 ( -5.298 -4.315 0.000) 6.833 3.979 ( -0.399 12.740 0.000) 12.747 4.003 ( -2.861 13.294 0.000) 13.598 4.208 ( 0.114 -11.269 0.000) 11.269 4.216 ( -0.159 -8.945 0.000) 8.947 4.791 ( 3.829 13.279 0.000) 13.820 4.853 ( -1.561 11.059 0.000) 11.169 4.969 ( 6.513 -0.994 0.000) 6.589 5.001 ( 2.383 -8.684 0.000) 9.005 5.316 ( 5.719 7.133 0.000) 9.142 5.448 ( -6.701 9.010 0.000) 11.229 5.514 ( 4.699 -12.732 0.000) 13.571 5.597 ( -3.820 -7.810 0.000) 8.694 5.775 ( 25.822 21.841 0.000) 33.820 6.165 ( 17.255 -18.109 0.000) 25.014 6.229 ( -17.288 13.869 0.000) 22.164 6.443 ( -10.142 -8.270 0.000) 13.086 7.021 ( 6.209 7.447 0.000) 9.696 7.046 ( 9.935 1.349 0.000) 10.026 7.088 ( 6.396 -3.471 0.000) 7.277 7.205 ( -3.061 -11.063 0.000) 11.478 7.328 ( 7.473 11.146 0.000) 13.420 7.565 ( 7.021 -14.332 0.000) 15.960 7.648 ( -17.691 9.342 0.000) 20.006 7.824 ( -17.391 -8.953 0.000) 19.560 7.893 ( 0.754 14.090 0.000) 14.110 7.955 ( -6.982 8.957 0.000) 11.357 8.160 ( -0.949 -14.181 0.000) 14.213 8.166 ( -1.969 -11.942 0.000) 12.103 9.244 ( 7.370 29.954 0.000) 30.848 9.362 ( -3.671 25.935 0.000) 26.194 9.713 ( 9.323 -4.524 0.000) 10.363 9.713 ( 11.520 0.286 0.000) 11.524 9.753 ( 10.570 -10.179 0.000) 14.674 10.011 ( 15.019 -12.496 0.000) 19.538 10.096 ( -15.658 13.216 0.000) 20.490 10.316 ( -14.750 -11.623 0.000) 18.780 10.817 ( 4.495 7.091 0.000) 8.395 10.995 ( -12.306 0.160 0.000) 12.307 11.080 ( -4.681 -20.443 0.000) 20.972 11.081 ( -6.242 -10.069 0.000) 11.847 13.130 ( 5.836 14.106 0.000) 15.265 13.133 ( 17.039 2.080 0.000) 17.166 13.158 ( 13.159 0.545 0.000) 13.171 13.297 ( -6.110 7.208 0.000) 9.450 13.434 ( 0.754 -16.385 0.000) 16.403 13.498 ( -15.598 -0.339 0.000) 15.602 13.520 ( -16.573 -1.701 0.000) 16.660 13.523 ( -4.589 -15.325 0.000) 15.997 15.998 ( 14.261 11.538 0.000) 18.344 16.162 ( 18.029 -5.862 0.000) 18.958 16.236 ( -9.091 16.266 0.000) 18.634 16.483 ( -13.601 -10.040 0.000) 16.906 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.000 0.000 34.501) 34.501 0.801 ( 0.000 0.000 37.827) 37.827 1.297 ( 0.000 0.000 61.239) 61.239 2.827 ( 0.000 0.000 8.207) 8.207 2.893 ( 0.000 0.000 4.507) 4.507 3.051 ( 0.000 0.000 11.690) 11.690 3.618 ( 0.000 0.000 -2.099) 2.099 3.797 ( 0.000 0.000 -4.198) 4.198 4.126 ( 0.000 0.000 1.891) 1.891 4.131 ( 0.000 0.000 -1.094) 1.094 4.192 ( 0.000 0.000 -4.484) 4.484 4.378 ( 0.000 0.000 1.223) 1.223 4.436 ( 0.000 0.000 -2.499) 2.499 4.472 ( 0.000 0.000 -11.883) 11.883 4.734 ( 0.000 0.000 -13.624) 13.624 5.089 ( 0.000 0.000 4.020) 4.020 5.290 ( 0.000 0.000 -7.756) 7.756 5.329 ( 0.000 0.000 -6.625) 6.625 5.390 ( 0.000 0.000 -12.456) 12.456 5.567 ( 0.000 0.000 -3.913) 3.913 5.756 ( 0.000 0.000 1.741) 1.741 5.836 ( 0.000 0.000 1.801) 1.801 6.060 ( 0.000 0.000 -10.256) 10.256 6.356 ( 0.000 0.000 7.144) 7.144 6.401 ( 0.000 0.000 -4.364) 4.364 6.421 ( 0.000 0.000 4.431) 4.431 6.771 ( 0.000 0.000 12.530) 12.530 6.940 ( 0.000 0.000 0.904) 0.904 7.326 ( 0.000 0.000 5.574) 5.574 7.348 ( 0.000 0.000 4.622) 4.622 7.443 ( 0.000 0.000 11.232) 11.232 8.001 ( 0.000 0.000 2.437) 2.437 8.037 ( 0.000 0.000 -0.658) 0.658 8.099 ( 0.000 0.000 -0.176) 0.176 8.412 ( 0.000 0.000 17.292) 17.292 8.438 ( 0.000 0.000 -10.724) 10.724 8.784 ( 0.000 0.000 -0.880) 0.880 8.946 ( 0.000 0.000 3.086) 3.086 8.949 ( 0.000 0.000 1.173) 1.173 9.084 ( 0.000 0.000 -1.060) 1.060 9.400 ( 0.000 0.000 -8.266) 8.266 10.504 ( 0.000 0.000 5.179) 5.179 10.508 ( 0.000 0.000 -12.705) 12.705 10.623 ( 0.000 0.000 -3.880) 3.880 10.835 ( 0.000 0.000 5.348) 5.348 11.948 ( 0.000 0.000 -4.133) 4.133 12.076 ( 0.000 0.000 8.951) 8.951 12.305 ( 0.000 0.000 4.086) 4.086 12.811 ( 0.000 0.000 -19.715) 19.715 13.160 ( 0.000 0.000 -3.716) 3.716 13.271 ( 0.000 0.000 -24.080) 24.080 13.925 ( 0.000 0.000 -4.231) 4.231 14.034 ( 0.000 0.000 -4.822) 4.822 14.193 ( 0.000 0.000 0.441) 0.441 14.298 ( 0.000 0.000 -5.636) 5.636 14.411 ( 0.000 0.000 -1.470) 1.470 14.475 ( 0.000 0.000 22.012) 22.012 14.604 ( 0.000 0.000 20.975) 20.975 14.715 ( 0.000 0.000 8.638) 8.638 17.402 ( 0.000 0.000 -5.641) 5.641 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 23.606 0.000 23.672) 33.430 1.032 ( 25.824 0.000 22.597) 34.315 1.900 ( 45.964 0.000 42.362) 62.508 2.886 ( 6.398 0.000 7.918) 10.180 3.017 ( 9.838 0.000 3.453) 10.426 3.147 ( 8.918 0.000 7.794) 11.844 3.661 ( -11.102 0.000 -2.512) 11.382 3.677 ( 6.574 0.000 1.715) 6.794 4.027 ( -9.200 0.000 -2.445) 9.520 4.073 ( -2.503 0.000 -6.700) 7.152 4.204 ( 1.118 0.000 -3.435) 3.612 4.404 ( -3.361 0.000 -9.972) 10.523 4.419 ( -11.170 0.000 -9.452) 14.632 4.507 ( -4.502 0.000 5.278) 6.938 4.600 ( 11.040 0.000 4.715) 12.005 4.823 ( -12.603 0.000 -4.935) 13.535 5.259 ( -9.349 0.000 1.219) 9.429 5.343 ( 16.531 0.000 -5.345) 17.373 5.573 ( 3.201 0.000 -6.367) 7.126 5.672 ( -4.687 0.000 -7.924) 9.206 5.805 ( 3.178 0.000 -1.027) 3.339 5.972 ( -18.120 0.000 5.376) 18.901 5.988 ( -1.197 0.000 -14.455) 14.504 6.163 ( 19.433 0.000 -9.096) 21.456 6.391 ( -1.783 0.000 4.153) 4.520 6.744 ( 15.089 0.000 -3.044) 15.393 6.788 ( 1.400 0.000 7.466) 7.596 6.980 ( 2.740 0.000 2.109) 3.457 7.276 ( -1.397 0.000 8.445) 8.559 7.307 ( -2.502 0.000 8.211) 8.584 7.574 ( 8.889 0.000 16.101) 18.391 7.957 ( -3.730 0.000 -4.139) 5.571 7.991 ( -0.204 0.000 -5.506) 5.510 8.162 ( 2.229 0.000 5.498) 5.933 8.391 ( -2.716 0.000 -9.290) 9.679 8.602 ( 13.445 0.000 18.216) 22.640 8.733 ( -2.907 0.000 -7.970) 8.484 8.935 ( 0.033 0.000 4.987) 4.987 8.964 ( 0.998 0.000 -3.624) 3.759 9.112 ( 1.530 0.000 -1.710) 2.294 9.323 ( -5.746 0.000 -6.573) 8.730 10.261 ( -19.238 0.000 -20.118) 27.836 10.540 ( 3.817 0.000 5.884) 7.013 10.666 ( 0.681 0.000 -0.308) 0.747 10.868 ( 2.478 0.000 2.626) 3.611 12.002 ( 0.897 0.000 6.335) 6.398 12.066 ( -12.969 0.000 8.636) 15.581 12.118 ( 7.427 0.000 4.407) 8.636 12.581 ( -12.220 0.000 -12.722) 17.641 13.003 ( -20.703 0.000 -17.632) 27.194 13.281 ( 3.517 0.000 9.536) 10.164 14.058 ( 7.008 0.000 -6.188) 9.349 14.121 ( -0.353 0.000 -8.635) 8.642 14.192 ( -0.018 0.000 0.421) 0.422 14.332 ( 0.170 0.000 -3.658) 3.662 14.391 ( -3.055 0.000 3.234) 4.449 14.610 ( 14.082 0.000 12.089) 18.559 14.675 ( 8.631 0.000 12.202) 14.945 14.786 ( 6.597 0.000 5.680) 8.705 17.283 ( -8.736 0.000 -8.854) 12.439 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 31.576 0.000 7.901) 32.549 1.623 ( 30.950 0.000 11.155) 32.899 2.817 ( 33.886 0.000 20.873) 39.799 3.118 ( 22.219 0.000 11.598) 25.064 3.205 ( 7.752 0.000 5.281) 9.380 3.298 ( 2.951 0.000 -0.515) 2.996 3.466 ( -6.430 0.000 -0.580) 6.456 3.773 ( -10.764 0.000 -5.044) 11.887 3.965 ( 17.822 0.000 6.901) 19.112 3.983 ( -6.289 0.000 -11.537) 13.140 4.137 ( -10.644 0.000 -1.927) 10.817 4.191 ( -8.622 0.000 -9.412) 12.764 4.290 ( 1.062 0.000 0.081) 1.066 4.511 ( -0.377 0.000 6.933) 6.944 4.663 ( -5.797 0.000 -3.205) 6.624 4.850 ( 11.114 0.000 6.296) 12.773 5.028 ( -12.191 0.000 7.871) 14.511 5.501 ( -15.612 0.000 0.252) 15.614 5.560 ( -3.909 0.000 -10.132) 10.860 5.631 ( 2.427 0.000 -3.174) 3.996 5.718 ( 13.680 0.000 -8.992) 16.371 5.927 ( -3.243 0.000 -14.413) 14.774 5.993 ( 9.916 0.000 3.319) 10.457 6.302 ( -3.050 0.000 2.955) 4.247 6.493 ( 9.045 0.000 -11.380) 14.536 6.835 ( 3.315 0.000 3.710) 4.975 6.917 ( 1.005 0.000 -8.029) 8.092 6.996 ( -1.121 0.000 3.411) 3.590 7.326 ( 6.291 0.000 7.957) 10.144 7.337 ( 6.431 0.000 12.093) 13.696 7.726 ( 5.219 0.000 19.566) 20.250 7.908 ( -1.003 0.000 -6.602) 6.678 8.003 ( 1.172 0.000 -14.347) 14.395 8.194 ( 0.698 0.000 3.276) 3.350 8.312 ( -4.874 0.000 -11.207) 12.221 8.675 ( -2.463 0.000 -3.895) 4.608 8.705 ( -4.510 0.000 3.621) 5.784 8.864 ( -11.912 0.000 -4.579) 12.762 9.124 ( -3.118 0.000 7.104) 7.758 9.147 ( 21.200 0.000 27.796) 34.958 9.319 ( 9.080 0.000 -21.152) 23.019 9.811 ( -23.984 0.000 -29.213) 37.797 10.652 ( -1.702 0.000 4.061) 4.403 10.655 ( 6.550 0.000 4.109) 7.733 10.860 ( -4.468 0.000 -5.140) 6.810 11.861 ( -6.503 0.000 5.927) 8.798 11.939 ( -5.815 0.000 16.898) 17.870 12.367 ( 13.869 0.000 1.676) 13.970 12.505 ( 4.450 0.000 0.417) 4.470 12.573 ( -19.259 0.000 -10.491) 21.931 13.248 ( -4.985 0.000 20.789) 21.378 13.984 ( -11.387 0.000 -5.661) 12.716 14.092 ( -4.740 0.000 0.620) 4.780 14.191 ( 0.081 0.000 0.317) 0.327 14.245 ( -8.865 0.000 5.226) 10.291 14.302 ( -3.915 0.000 4.699) 6.116 14.927 ( 14.127 0.000 -0.543) 14.138 14.960 ( 10.005 0.000 -0.334) 10.011 15.014 ( 24.161 0.000 -3.856) 24.467 17.081 ( -11.578 0.000 -13.990) 18.160 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 29.139 0.000 2.566) 29.252 2.240 ( 29.387 0.000 3.701) 29.619 3.090 ( 4.249 0.000 1.475) 4.498 3.251 ( -3.275 0.000 1.903) 3.787 3.303 ( -1.805 0.000 4.444) 4.796 3.374 ( -1.591 0.000 -2.102) 2.636 3.553 ( -8.907 0.000 -7.757) 11.811 3.741 ( 12.312 0.000 5.622) 13.535 3.833 ( -3.633 0.000 -0.730) 3.705 4.010 ( -0.441 0.000 -3.396) 3.424 4.026 ( -0.546 0.000 1.763) 1.846 4.365 ( 11.539 0.000 6.317) 13.154 4.444 ( -5.239 0.000 4.066) 6.632 4.469 ( 2.063 0.000 10.534) 10.734 4.556 ( 13.911 0.000 3.651) 14.382 4.770 ( -9.672 0.000 9.177) 13.333 5.085 ( 10.112 0.000 3.280) 10.630 5.178 ( -13.436 0.000 0.054) 13.437 5.529 ( -0.309 0.000 -8.630) 8.635 5.686 ( 3.557 0.000 -6.953) 7.810 5.857 ( -4.096 0.000 -12.795) 13.434 6.054 ( 16.705 0.000 -6.823) 18.045 6.204 ( -6.777 0.000 1.579) 6.959 6.245 ( 15.197 0.000 -0.969) 15.228 6.630 ( 5.393 0.000 -10.120) 11.467 6.856 ( -4.914 0.000 -5.447) 7.336 6.868 ( -1.612 0.000 5.875) 6.092 7.020 ( 5.803 0.000 -4.405) 7.285 7.450 ( 0.288 0.000 5.027) 5.035 7.482 ( 7.946 0.000 6.968) 10.568 7.780 ( 0.324 0.000 16.552) 16.555 7.892 ( -2.899 0.000 -7.144) 7.710 8.022 ( 0.734 0.000 -14.773) 14.791 8.143 ( -5.213 0.000 -2.337) 5.712 8.225 ( -2.708 0.000 -12.558) 12.846 8.545 ( -14.839 0.000 -5.640) 15.875 8.586 ( -4.421 0.000 -3.611) 5.708 8.695 ( 2.804 0.000 6.076) 6.692 9.033 ( -5.229 0.000 11.403) 12.545 9.323 ( -21.843 0.000 -29.916) 37.042 9.580 ( 14.768 0.000 -27.605) 31.307 9.637 ( 23.662 0.000 30.928) 38.942 10.554 ( -15.524 0.000 -29.923) 33.710 10.595 ( -4.528 0.000 11.424) 12.289 10.938 ( 13.184 0.000 21.381) 25.119 11.781 ( -4.406 0.000 20.425) 20.895 11.805 ( -6.313 0.000 16.133) 17.324 12.157 ( -17.319 0.000 -7.165) 18.743 12.695 ( 12.911 0.000 2.674) 13.185 12.744 ( 18.971 0.000 5.701) 19.809 13.173 ( -0.283 0.000 18.013) 18.016 13.709 ( -15.005 0.000 -3.649) 15.443 13.879 ( -14.707 0.000 7.251) 16.397 13.998 ( -14.911 0.000 9.027) 17.431 14.200 ( 0.719 0.000 0.067) 0.722 14.258 ( -1.217 0.000 0.946) 1.541 15.158 ( 8.981 0.000 -5.096) 10.326 15.180 ( 9.957 0.000 -5.930) 11.589 15.524 ( 25.431 0.000 -10.990) 27.704 16.808 ( -15.592 0.000 -15.630) 22.078 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 22.739 0.000 1.959) 22.823 2.774 ( 22.530 0.000 -1.623) 22.588 3.081 ( -8.091 0.000 1.661) 8.260 3.117 ( -11.685 0.000 -1.038) 11.731 3.264 ( 2.367 0.000 3.070) 3.877 3.344 ( 2.487 0.000 -11.661) 11.923 3.393 ( -8.331 0.000 -4.246) 9.350 3.526 ( -13.515 0.000 -13.404) 19.034 3.958 ( 9.037 0.000 8.509) 12.412 4.087 ( 5.948 0.000 8.583) 10.442 4.181 ( -6.693 0.000 10.868) 12.764 4.233 ( 6.215 0.000 8.733) 10.718 4.247 ( -9.400 0.000 13.243) 16.240 4.478 ( -12.639 0.000 8.602) 15.288 4.746 ( 12.982 0.000 2.060) 13.145 4.960 ( -9.325 0.000 0.024) 9.325 5.133 ( 22.414 0.000 2.055) 22.508 5.251 ( 5.305 0.000 0.465) 5.326 5.527 ( 2.191 0.000 -5.104) 5.555 5.698 ( -8.327 0.000 -10.559) 13.447 5.829 ( 6.477 0.000 -6.491) 9.170 6.022 ( -10.828 0.000 -0.151) 10.829 6.347 ( 12.205 0.000 -2.922) 12.550 6.499 ( 1.682 0.000 -2.960) 3.405 6.730 ( 4.500 0.000 -8.111) 9.276 6.810 ( -3.480 0.000 -1.618) 3.838 6.860 ( 12.531 0.000 -5.311) 13.610 7.223 ( 14.266 0.000 -3.525) 14.695 7.247 ( -18.762 0.000 -3.113) 19.019 7.549 ( -10.950 0.000 -0.759) 10.976 7.699 ( -1.213 0.000 10.196) 10.267 7.772 ( -4.075 0.000 7.401) 8.449 8.077 ( 4.732 0.000 -9.522) 10.633 8.140 ( 5.154 0.000 -6.614) 8.386 8.173 ( -3.885 0.000 -10.674) 11.359 8.294 ( -9.771 0.000 -7.678) 12.427 8.624 ( 9.118 0.000 -17.273) 19.532 8.797 ( 6.041 0.000 10.988) 12.539 8.911 ( -18.058 0.000 -26.871) 32.375 8.919 ( -5.938 0.000 12.222) 13.588 9.888 ( 15.690 0.000 -31.253) 34.970 10.097 ( 20.554 0.000 31.270) 37.421 10.216 ( -16.816 0.000 -33.282) 37.289 10.433 ( -12.243 0.000 23.064) 26.112 11.259 ( 17.491 0.000 27.791) 32.837 11.594 ( -14.165 0.000 29.097) 32.361 11.741 ( 1.176 0.000 7.092) 7.188 11.867 ( -10.864 0.000 -1.464) 10.962 12.987 ( 15.316 0.000 1.403) 15.380 13.142 ( 20.038 0.000 7.312) 21.330 13.228 ( -1.547 0.000 7.543) 7.700 13.457 ( -2.852 0.000 2.993) 4.134 13.537 ( -18.691 0.000 8.099) 20.371 13.674 ( -16.238 0.000 9.686) 18.908 14.217 ( 0.918 0.000 0.099) 0.924 14.237 ( -0.988 0.000 0.239) 1.016 15.296 ( 4.151 0.000 -7.468) 8.545 15.311 ( 2.833 0.000 -7.760) 8.261 16.018 ( 23.196 0.000 -13.978) 27.082 16.452 ( -19.657 0.000 -15.386) 24.962 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 25.731 25.496) 36.223 1.057 ( 0.000 23.878 27.775) 36.628 1.722 ( 0.000 40.996 42.928) 59.359 2.798 ( 0.000 -1.193 6.879) 6.982 2.985 ( 0.000 -6.905 10.711) 12.744 3.140 ( 0.000 8.378 -10.192) 13.194 3.488 ( 0.000 -11.544 -0.028) 11.544 3.832 ( 0.000 0.011 1.133) 1.133 3.983 ( 0.000 -9.602 -3.295) 10.151 4.050 ( 0.000 -4.243 -6.707) 7.937 4.231 ( 0.000 0.035 0.861) 0.862 4.339 ( 0.000 -4.333 -9.723) 10.644 4.427 ( 0.000 4.398 1.335) 4.596 4.668 ( 0.000 12.911 -1.044) 12.953 4.765 ( 0.000 3.186 -13.054) 13.437 4.972 ( 0.000 -6.638 6.789) 9.495 5.279 ( 0.000 -4.921 -6.239) 7.946 5.295 ( 0.000 -0.541 -6.573) 6.595 5.518 ( 0.000 8.546 -26.392) 27.742 5.573 ( 0.000 0.275 -3.589) 3.599 5.676 ( 0.000 -8.514 3.676) 9.273 5.972 ( 0.000 15.240 -0.997) 15.273 6.025 ( 0.000 -4.382 -7.947) 9.075 6.199 ( 0.000 -10.335 -6.022) 11.962 6.512 ( 0.000 4.796 2.551) 5.433 6.577 ( 0.000 7.148 4.264) 8.323 6.714 ( 0.000 5.736 15.532) 16.557 6.988 ( 0.000 6.860 2.214) 7.209 7.265 ( 0.000 -5.789 6.495) 8.701 7.373 ( 0.000 -4.116 12.733) 13.381 7.464 ( 0.000 10.364 5.305) 11.643 7.997 ( 0.000 -2.966 -2.835) 4.103 8.038 ( 0.000 2.905 0.614) 2.969 8.069 ( 0.000 -1.029 2.337) 2.554 8.530 ( 0.000 10.397 17.086) 20.001 8.675 ( 0.000 13.482 -17.717) 22.264 8.757 ( 0.000 -3.015 -2.408) 3.858 8.913 ( 0.000 -2.775 4.978) 5.699 8.981 ( 0.000 -2.529 -1.471) 2.926 9.116 ( 0.000 6.244 2.857) 6.867 9.373 ( 0.000 -2.773 -8.234) 8.688 10.140 ( 0.000 -18.635 5.580) 19.453 10.533 ( 0.000 2.499 -11.160) 11.436 10.774 ( 0.000 -5.281 10.948) 12.155 10.799 ( 0.000 0.130 1.841) 1.845 11.867 ( 0.000 -2.199 -2.763) 3.531 12.121 ( 0.000 4.665 7.954) 9.221 12.327 ( 0.000 4.693 5.100) 6.931 12.639 ( 0.000 -22.469 -14.930) 26.976 12.990 ( 0.000 -18.604 -18.997) 26.589 13.104 ( 0.000 -5.485 -2.883) 6.196 13.897 ( 0.000 -16.735 7.118) 18.186 13.975 ( 0.000 3.367 -8.535) 9.175 14.097 ( 0.000 -1.323 -6.160) 6.301 14.233 ( 0.000 -2.705 -6.489) 7.031 14.346 ( 0.000 -4.324 -2.975) 5.249 14.657 ( 0.000 13.487 15.852) 20.813 14.777 ( 0.000 5.985 8.592) 10.471 15.029 ( 0.000 33.294 12.604) 35.599 17.356 ( 0.000 -6.449 -3.829) 7.500 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 18.338 20.307 20.480) 34.177 1.308 ( 20.422 23.266 18.002) 35.811 2.183 ( 38.722 29.137 33.607) 58.973 2.867 ( 6.580 -1.359 6.816) 9.571 3.025 ( 4.178 -5.999 8.326) 11.079 3.220 ( 7.719 6.026 -3.468) 10.389 3.544 ( 6.186 -11.795 0.766) 13.340 3.688 ( -9.875 0.474 0.708) 9.912 3.970 ( -4.997 -2.543 -5.189) 7.639 4.093 ( 1.767 -0.943 -7.733) 7.989 4.196 ( -3.631 -2.016 0.257) 4.161 4.281 ( -3.203 -7.046 -3.184) 8.369 4.414 ( 0.461 -0.419 -3.145) 3.206 4.524 ( -14.267 7.219 -8.470) 18.094 4.815 ( -0.199 4.783 -3.719) 6.062 4.825 ( -5.795 8.370 4.967) 11.327 5.076 ( -1.912 -11.311 2.594) 11.761 5.435 ( 2.761 2.902 -9.747) 10.538 5.505 ( 0.768 -8.137 -4.847) 9.502 5.571 ( -3.167 -3.692 -6.568) 8.173 5.913 ( -3.821 1.546 -5.199) 6.635 5.983 ( 11.053 0.499 -12.034) 16.347 6.034 ( 1.493 8.390 -2.886) 8.998 6.146 ( 0.897 -3.478 1.048) 3.742 6.454 ( -1.690 10.571 2.600) 11.016 6.651 ( 5.695 -7.355 3.312) 9.874 6.778 ( 3.064 0.689 2.468) 3.995 7.074 ( 4.952 8.803 3.503) 10.690 7.233 ( 1.803 -2.341 8.884) 9.363 7.442 ( -1.011 11.593 7.661) 13.932 7.506 ( 9.495 -5.212 13.803) 17.546 7.925 ( -4.852 -2.617 -3.623) 6.597 8.060 ( 1.763 5.976 -7.003) 9.373 8.118 ( 2.605 -2.873 4.841) 6.203 8.554 ( -2.252 7.513 -4.957) 9.278 8.633 ( -3.344 2.973 -3.793) 5.866 8.770 ( 5.176 3.427 6.951) 9.320 8.956 ( 4.957 1.052 2.011) 5.452 8.986 ( -1.563 -0.046 0.375) 1.608 9.120 ( 0.911 4.761 3.466) 5.959 9.297 ( -5.493 -1.851 -8.557) 10.336 10.118 ( -5.378 -12.952 -7.667) 15.983 10.500 ( -1.347 -0.267 -7.473) 7.598 10.728 ( -2.968 -0.311 9.874) 10.315 10.841 ( 2.846 -2.051 0.546) 3.550 11.854 ( -1.806 -7.241 4.003) 8.468 12.126 ( -5.106 4.136 6.162) 9.008 12.244 ( -0.509 7.536 -0.830) 7.598 12.511 ( -6.152 -9.758 -6.941) 13.463 12.748 ( -14.671 -19.390 -10.702) 26.566 13.263 ( 3.588 -3.563 6.460) 8.204 13.903 ( -0.623 -11.646 -4.694) 12.571 13.978 ( 1.640 -13.348 0.324) 13.452 14.092 ( -1.873 -5.174 -6.107) 8.220 14.283 ( 1.548 -2.590 -1.744) 3.485 14.334 ( -2.105 -3.252 -0.325) 3.887 14.770 ( 11.433 12.261 9.132) 19.090 14.849 ( 6.831 6.198 5.580) 10.780 15.085 ( 5.682 32.483 7.649) 33.852 17.270 ( -7.394 -3.527 -7.785) 11.302 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 25.885 11.716 9.037) 29.815 1.810 ( 27.689 15.094 11.334) 33.511 2.949 ( 19.069 10.801 10.379) 24.249 3.104 ( 23.372 0.705 12.215) 26.381 3.140 ( 8.339 -5.559 6.453) 11.920 3.347 ( 4.965 1.156 0.223) 5.103 3.528 ( -2.384 5.705 3.365) 7.039 3.697 ( -2.488 -9.111 -6.526) 11.480 3.841 ( -0.335 -1.654 -8.646) 8.809 4.026 ( -10.084 -2.449 2.839) 10.758 4.135 ( 4.972 5.065 1.370) 7.229 4.203 ( -3.825 -6.300 -1.497) 7.521 4.354 ( -0.075 2.317 -1.813) 2.943 4.466 ( 0.191 4.017 -3.261) 5.178 4.624 ( -6.069 -2.757 -2.916) 7.276 4.901 ( -10.731 -7.917 8.917) 16.042 4.975 ( 4.555 5.535 4.207) 8.312 5.348 ( -5.089 -7.823 -6.412) 11.323 5.571 ( 1.416 -4.665 -3.195) 5.828 5.674 ( 9.746 -5.280 -9.428) 14.552 5.729 ( -11.629 8.002 -3.218) 14.479 6.000 ( 1.773 8.234 -11.655) 14.380 6.130 ( 6.828 12.248 1.459) 14.098 6.289 ( 3.315 -3.320 0.726) 4.747 6.485 ( 5.113 1.563 -3.670) 6.485 6.765 ( 4.389 -4.424 -0.888) 6.295 6.826 ( 2.840 -3.555 -0.943) 4.646 7.076 ( -2.195 1.177 0.735) 2.597 7.376 ( 7.539 6.098 6.686) 11.778 7.478 ( 5.306 12.819 11.850) 18.246 7.685 ( 7.296 -3.800 15.674) 17.702 7.835 ( -3.561 -5.103 -7.235) 9.543 8.099 ( 1.708 5.965 -11.397) 12.976 8.151 ( 0.356 -1.193 1.034) 1.618 8.444 ( -6.530 8.754 -11.393) 15.782 8.581 ( -1.795 -4.825 -4.019) 6.531 8.772 ( -7.628 1.619 -0.271) 7.803 8.879 ( -9.081 3.154 -1.221) 9.691 9.027 ( -3.132 -7.012 10.543) 13.043 9.250 ( 14.005 6.669 11.617) 19.379 9.331 ( 12.748 3.436 -6.728) 14.818 9.858 ( -18.367 3.350 -25.393) 31.518 10.529 ( 2.570 -7.721 -0.525) 8.155 10.717 ( 1.985 1.222 9.718) 9.994 10.830 ( -4.933 -3.060 -6.807) 8.946 11.784 ( -3.761 -6.583 11.237) 13.556 11.938 ( -8.642 -2.242 7.241) 11.495 12.356 ( -6.358 -8.481 -5.469) 11.927 12.392 ( 1.398 -6.288 0.241) 6.446 12.590 ( 6.218 5.447 4.103) 9.229 13.225 ( -5.071 -2.465 18.305) 19.154 13.794 ( -9.991 -13.341 -6.858) 18.023 14.027 ( 2.512 -15.368 0.235) 15.573 14.052 ( -3.103 -5.946 -1.786) 6.941 14.222 ( -8.297 -4.626 5.746) 11.102 14.237 ( -5.936 -1.844 4.337) 7.579 15.030 ( 10.636 6.859 -0.334) 12.661 15.113 ( 21.247 8.522 -3.150) 23.108 15.243 ( 8.936 27.452 -0.999) 28.887 17.082 ( -11.187 -1.254 -12.760) 17.016 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 25.045 3.391 2.641) 25.411 2.370 ( 26.715 8.334 7.559) 28.988 3.089 ( 1.795 -1.120 1.867) 2.822 3.205 ( 0.342 -6.977 3.541) 7.832 3.268 ( -1.733 0.398 0.966) 2.024 3.431 ( -5.405 1.011 -1.423) 5.680 3.529 ( -3.456 1.353 -4.065) 5.504 3.723 ( -4.512 -3.588 -1.911) 6.073 3.775 ( 0.264 -4.250 -4.391) 6.117 3.965 ( 3.365 1.218 4.284) 5.582 4.148 ( 0.858 2.402 6.317) 6.813 4.336 ( -7.896 0.158 0.845) 7.942 4.411 ( 14.764 2.602 2.847) 15.259 4.552 ( 1.619 -0.184 5.353) 5.596 4.576 ( 15.481 6.512 4.375) 17.355 4.700 ( -2.274 -4.550 6.196) 8.016 5.084 ( 5.686 -1.524 -0.031) 5.886 5.263 ( -5.796 6.461 2.153) 8.943 5.482 ( -6.298 -1.971 -1.757) 6.829 5.656 ( 3.041 -2.364 -8.861) 9.662 5.773 ( -0.116 -8.006 -12.328) 14.700 6.131 ( 4.315 4.156 -2.869) 6.643 6.248 ( 6.557 9.420 -3.255) 11.930 6.360 ( 8.533 7.258 0.658) 11.222 6.601 ( 5.530 -2.628 -6.066) 8.619 6.789 ( 0.073 -0.834 -2.044) 2.209 6.941 ( 6.615 0.461 0.406) 6.643 7.033 ( -1.226 1.566 -5.354) 5.711 7.476 ( 0.971 6.264 5.783) 8.580 7.572 ( 2.139 5.016 8.222) 9.866 7.761 ( -1.719 -4.479 9.262) 10.430 7.802 ( 0.414 -4.160 -7.096) 8.236 8.084 ( -5.163 -4.430 -0.876) 6.859 8.127 ( -0.021 9.203 -11.799) 14.963 8.345 ( -3.546 7.717 -14.112) 16.470 8.479 ( -13.014 0.398 -4.855) 13.896 8.621 ( 1.310 -6.010 4.508) 7.626 8.716 ( -4.356 8.687 -4.196) 10.586 8.937 ( -5.035 -8.191 11.716) 15.156 9.431 ( -14.018 6.582 -26.887) 31.027 9.554 ( 8.473 1.496 -23.811) 25.318 9.733 ( 22.238 8.090 27.527) 36.301 10.475 ( -11.555 -6.722 -20.389) 24.380 10.619 ( -6.499 0.126 1.626) 6.700 10.917 ( 12.773 -2.117 21.108) 24.762 11.719 ( -3.999 -6.199 20.116) 21.426 11.790 ( -6.839 -2.647 16.797) 18.328 12.047 ( -14.850 -12.212 -4.107) 19.660 12.609 ( 12.354 -2.672 -0.617) 12.654 12.839 ( 16.313 5.647 8.701) 19.332 13.151 ( -0.488 -2.027 15.615) 15.753 13.548 ( -13.194 -12.481 -4.789) 18.783 13.893 ( -12.832 -0.304 6.065) 14.197 13.981 ( -14.433 -2.105 8.422) 16.843 14.069 ( 1.407 -13.020 0.163) 13.097 14.150 ( -2.328 -9.625 1.972) 10.097 15.246 ( 10.062 8.527 -5.177) 14.169 15.403 ( 6.163 20.829 -6.063) 22.553 15.580 ( 23.923 5.027 -10.198) 26.487 16.816 ( -15.161 0.054 -14.713) 21.127 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 19.883 -3.365 0.272) 20.168 2.829 ( 14.827 1.170 4.105) 15.429 3.042 ( -5.180 -4.980 0.998) 7.254 3.177 ( -8.402 2.186 -0.793) 8.718 3.225 ( 1.250 -6.001 0.888) 6.194 3.283 ( -2.065 6.098 -3.999) 7.579 3.477 ( -2.631 4.037 -5.373) 7.217 3.569 ( -8.968 -1.403 -3.860) 9.864 3.815 ( 4.545 -10.171 8.114) 13.782 3.903 ( -4.420 -8.787 3.032) 10.293 4.197 ( -2.181 2.124 0.377) 3.068 4.219 ( -1.133 0.464 4.901) 5.051 4.447 ( 2.133 9.294 9.616) 13.542 4.560 ( -5.938 4.077 8.988) 11.518 4.777 ( 13.503 4.216 1.775) 14.257 4.988 ( -4.570 4.068 -1.084) 6.213 5.195 ( 10.550 2.288 3.508) 11.351 5.237 ( 5.084 4.413 3.318) 7.505 5.458 ( 7.266 -5.281 -4.762) 10.166 5.680 ( -6.210 -2.067 -11.312) 13.069 5.780 ( 6.291 -5.121 -6.743) 10.548 5.995 ( -12.327 -0.745 2.406) 12.581 6.463 ( 8.170 8.375 -1.930) 11.858 6.532 ( 2.788 0.905 -0.876) 3.060 6.742 ( 9.295 2.254 -8.268) 12.642 6.860 ( 5.253 5.478 -3.184) 8.231 6.938 ( 1.761 6.429 -5.868) 8.881 7.179 ( 10.058 -2.789 -3.592) 11.039 7.295 ( -14.438 3.476 -2.846) 15.121 7.520 ( -14.382 -3.062 -2.624) 14.937 7.684 ( 2.626 -0.280 10.452) 10.780 7.774 ( -4.333 0.508 5.023) 6.653 8.030 ( 3.579 -9.266 -5.435) 11.323 8.175 ( -7.717 -5.840 -6.994) 11.940 8.199 ( 3.610 8.863 -11.061) 14.626 8.318 ( -5.751 13.054 -10.493) 17.708 8.701 ( 6.001 -3.588 6.065) 9.256 8.774 ( 6.718 3.709 -8.052) 11.123 8.837 ( -2.595 -2.221 8.023) 8.720 9.072 ( -16.877 13.289 -22.694) 31.248 9.835 ( 15.192 -4.798 -29.300) 33.351 10.123 ( 0.127 -2.087 -3.393) 3.986 10.200 ( 2.433 2.573 0.778) 3.625 10.473 ( -10.629 3.213 20.859) 23.630 11.230 ( 17.132 -3.048 27.401) 32.460 11.559 ( -13.990 -3.667 28.602) 32.051 11.691 ( 0.528 -6.265 9.235) 11.172 11.798 ( -9.387 -8.150 0.701) 12.450 12.878 ( 14.029 -7.019 -2.119) 15.829 13.137 ( -8.211 -7.812 0.760) 11.359 13.201 ( 18.604 3.767 9.655) 21.296 13.393 ( 4.979 -3.822 6.531) 9.058 13.578 ( -17.337 2.177 9.018) 19.663 13.661 ( -16.227 -1.433 9.249) 18.733 14.095 ( 1.182 -12.229 0.212) 12.288 14.119 ( -1.196 -11.624 0.499) 11.696 15.412 ( 5.891 11.287 -7.624) 14.840 15.470 ( 0.236 15.327 -7.933) 17.260 16.051 ( 22.329 2.849 -13.330) 26.160 16.470 ( -19.067 1.322 -14.689) 24.105 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.000 27.931 19.931) 34.313 1.575 ( 0.000 29.882 16.806) 34.283 2.548 ( 0.000 35.827 16.714) 39.534 2.802 ( 0.000 -12.705 11.190) 16.930 2.821 ( 0.000 9.384 9.826) 13.587 3.077 ( 0.000 -10.355 -2.211) 10.588 3.232 ( 0.000 -14.950 0.317) 14.953 3.748 ( 0.000 -6.950 2.091) 7.258 3.821 ( 0.000 -7.383 -2.957) 7.953 4.053 ( 0.000 3.477 -10.162) 10.740 4.217 ( 0.000 -1.045 1.316) 1.680 4.273 ( 0.000 -3.382 -6.739) 7.540 4.500 ( 0.000 2.584 4.532) 5.217 4.814 ( 0.000 -0.782 -8.385) 8.422 4.889 ( 0.000 9.181 1.815) 9.359 4.901 ( 0.000 -0.713 1.360) 1.535 5.168 ( 0.000 -5.031 -4.066) 6.469 5.278 ( 0.000 -1.491 -7.041) 7.198 5.476 ( 0.000 -7.675 2.019) 7.936 5.624 ( 0.000 1.476 -9.126) 9.244 5.626 ( 0.000 3.032 -28.551) 28.712 5.842 ( 0.000 -12.859 -4.227) 13.536 6.120 ( 0.000 -0.300 -7.148) 7.154 6.238 ( 0.000 4.560 0.770) 4.624 6.433 ( 0.000 3.394 6.268) 7.128 6.685 ( 0.000 4.991 7.556) 9.056 7.109 ( 0.000 7.033 10.821) 12.906 7.150 ( 0.000 6.072 1.617) 6.284 7.185 ( 0.000 17.170 1.476) 17.233 7.318 ( 0.000 0.359 6.234) 6.244 7.674 ( 0.000 11.014 8.090) 13.666 7.961 ( 0.000 0.244 -4.393) 4.400 8.073 ( 0.000 3.087 -1.643) 3.497 8.104 ( 0.000 2.340 2.157) 3.182 8.630 ( 0.000 -6.558 -5.677) 8.674 8.723 ( 0.000 2.659 10.837) 11.159 8.856 ( 0.000 5.867 -10.874) 12.356 8.868 ( 0.000 -7.214 -1.608) 7.391 8.923 ( 0.000 7.461 13.745) 15.639 9.150 ( 0.000 -5.430 12.276) 13.423 9.303 ( 0.000 -4.572 -7.843) 9.079 9.866 ( 0.000 -14.340 -1.246) 14.394 10.592 ( 0.000 3.685 -7.552) 8.403 10.606 ( 0.000 -4.083 16.728) 17.220 10.782 ( 0.000 -2.227 2.425) 3.292 11.952 ( 0.000 9.674 -10.639) 14.380 12.017 ( 0.000 -38.351 -5.823) 38.790 12.240 ( 0.000 7.558 5.539) 9.370 12.466 ( 0.000 8.902 3.657) 9.624 12.731 ( 0.000 -12.098 -20.441) 23.753 12.985 ( 0.000 -6.137 0.007) 6.137 13.547 ( 0.000 -19.268 11.579) 22.479 14.024 ( 0.000 1.963 -8.928) 9.142 14.087 ( 0.000 -0.458 -8.602) 8.614 14.211 ( 0.000 -0.072 -8.411) 8.411 14.283 ( 0.000 -2.510 -6.836) 7.282 14.874 ( 0.000 9.206 12.700) 15.686 14.903 ( 0.000 6.553 8.894) 11.048 15.676 ( 0.000 34.512 7.503) 35.318 17.148 ( 0.000 -15.600 -0.507) 15.608 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 12.524 26.305 16.563) 33.514 1.777 ( 15.042 26.586 12.989) 33.193 2.773 ( 17.481 13.388 10.097) 24.223 2.844 ( 4.112 -12.682 9.833) 16.566 2.932 ( 13.032 23.386 11.877) 29.288 3.183 ( 8.075 -7.659 0.391) 11.136 3.255 ( 3.957 -18.189 -0.554) 18.622 3.678 ( -3.875 -0.262 2.965) 4.886 3.886 ( 3.458 -9.158 -0.476) 9.801 4.065 ( -0.403 2.532 -12.840) 13.093 4.177 ( -3.496 0.148 1.248) 3.715 4.233 ( -3.657 -0.919 -3.622) 5.229 4.426 ( -4.524 0.473 -0.294) 4.558 4.634 ( -13.245 2.490 -1.985) 13.623 4.850 ( -6.442 -0.224 -1.440) 6.605 4.912 ( -2.369 1.772 -3.701) 4.738 5.026 ( -1.430 3.637 2.504) 4.641 5.358 ( -4.376 -2.855 -4.385) 6.821 5.447 ( 3.639 -3.965 -14.101) 15.094 5.521 ( -4.025 -2.509 -9.549) 10.662 5.815 ( 8.551 -7.512 -4.336) 12.179 5.907 ( 6.002 -8.837 -1.011) 10.730 6.098 ( 0.508 2.277 -7.969) 8.303 6.281 ( 3.201 8.194 -1.096) 8.865 6.543 ( 8.153 0.353 4.479) 9.309 6.664 ( -1.395 8.107 6.092) 10.236 6.921 ( -8.381 11.054 3.362) 14.274 7.118 ( -3.201 0.521 0.985) 3.389 7.366 ( 8.981 12.130 2.904) 15.370 7.399 ( 7.026 -5.409 9.537) 13.022 7.684 ( 1.838 13.022 11.036) 17.169 7.900 ( -4.423 2.724 -3.237) 6.121 8.105 ( 1.178 2.789 2.348) 3.831 8.174 ( 6.124 4.349 -7.292) 10.469 8.513 ( -7.662 -5.687 -7.092) 11.889 8.741 ( 1.597 -4.148 3.390) 5.590 8.790 ( -4.958 7.387 -9.325) 12.888 8.879 ( -0.866 -7.118 -0.470) 7.186 9.060 ( 4.580 3.857 11.489) 12.956 9.176 ( 5.534 1.656 8.057) 9.914 9.338 ( 4.543 3.210 1.775) 5.839 9.852 ( -1.152 -15.279 -5.631) 16.324 10.477 ( -5.039 -2.205 -0.318) 5.510 10.700 ( 2.319 2.369 7.399) 8.107 10.798 ( 0.846 -3.295 -1.493) 3.715 11.811 ( -8.710 0.468 -4.083) 9.631 11.941 ( -7.536 -28.772 -6.122) 30.366 12.244 ( -9.754 -5.445 0.051) 11.171 12.412 ( 2.504 9.386 -0.896) 9.756 12.639 ( 0.020 4.915 -0.540) 4.945 13.146 ( 5.742 -8.269 5.957) 11.697 13.578 ( 3.736 -19.741 5.269) 20.771 13.871 ( -10.960 -1.215 -9.749) 14.719 13.992 ( -6.892 -4.883 -8.189) 11.765 14.256 ( 0.268 -0.283 -1.915) 1.955 14.300 ( -0.572 -1.225 -2.450) 2.798 14.971 ( 9.077 8.338 7.409) 14.381 14.982 ( 8.047 7.201 5.965) 12.337 15.714 ( 3.462 33.442 4.020) 33.860 17.111 ( -3.823 -13.477 -4.333) 14.663 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 17.673 19.440 10.745) 28.385 2.125 ( 19.076 18.702 9.843) 28.470 2.939 ( 5.294 -11.374 6.437) 14.101 2.991 ( 5.653 -3.602 7.287) 9.901 3.244 ( 1.515 -8.987 3.450) 9.745 3.350 ( 12.827 12.010 -2.526) 17.753 3.428 ( 6.225 -17.126 -4.058) 18.669 3.747 ( 17.177 19.338 11.747) 28.408 3.861 ( -6.602 -2.046 -1.356) 7.044 4.027 ( -3.099 -0.918 -13.320) 13.707 4.085 ( -5.481 0.587 2.210) 5.939 4.188 ( 2.026 0.718 2.471) 3.275 4.367 ( 2.461 2.163 3.079) 4.496 4.508 ( -0.166 -3.431 0.552) 3.479 4.697 ( -7.946 4.672 -5.300) 10.633 4.798 ( -5.644 5.454 -2.201) 8.151 4.976 ( -3.308 -6.566 -1.700) 7.547 5.319 ( 0.201 3.887 -1.340) 4.117 5.471 ( 1.742 -6.358 -9.927) 11.917 5.556 ( 3.418 -5.625 -5.210) 8.395 5.798 ( -6.233 -0.437 -0.115) 6.250 6.087 ( 7.627 -10.226 5.040) 13.717 6.188 ( 7.820 4.272 -11.372) 14.447 6.363 ( 5.370 8.452 -1.299) 10.097 6.613 ( -1.041 11.657 4.467) 12.527 6.737 ( 8.153 0.109 0.746) 8.187 6.816 ( -2.061 3.111 0.932) 3.846 7.073 ( -1.037 0.930 -3.225) 3.513 7.480 ( 5.089 1.166 8.312) 9.816 7.568 ( 5.781 -5.323 5.186) 9.415 7.712 ( -1.103 2.528 2.440) 3.683 7.838 ( -0.861 12.974 4.030) 13.612 8.120 ( 0.670 3.512 0.136) 3.578 8.302 ( 5.750 9.914 -11.435) 16.190 8.374 ( -5.809 -7.317 -4.683) 10.451 8.674 ( -6.456 5.434 -9.322) 12.574 8.730 ( -4.214 -4.718 -1.518) 6.506 8.831 ( -5.215 -5.714 1.052) 7.807 8.984 ( -3.053 -0.868 -4.399) 5.424 9.414 ( 1.714 13.742 -1.575) 13.937 9.486 ( 19.493 10.421 23.742) 32.439 9.825 ( -2.259 -10.386 -14.184) 17.724 10.393 ( -3.062 -5.398 -4.301) 7.551 10.710 ( -3.336 -3.069 -1.760) 4.863 10.761 ( -1.779 -1.336 1.474) 2.669 11.677 ( -4.513 -4.051 7.989) 10.030 11.781 ( -6.772 -18.395 -0.323) 19.605 11.985 ( -12.871 -15.780 1.970) 20.459 12.518 ( 6.269 11.048 3.384) 13.146 12.729 ( 7.897 9.239 6.649) 13.854 13.150 ( -3.063 -5.758 16.033) 17.308 13.614 ( -10.941 -6.265 -9.863) 16.008 13.691 ( 2.794 -18.420 0.315) 18.634 13.871 ( -4.906 -11.004 -5.505) 13.246 14.177 ( -7.857 -0.292 5.336) 9.502 14.219 ( -7.425 -0.934 4.512) 8.739 15.179 ( 11.997 8.093 -0.466) 14.479 15.262 ( 18.068 6.520 -2.154) 19.328 15.795 ( 3.840 29.860 -2.347) 30.197 16.988 ( -8.424 -9.391 -9.804) 15.977 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 16.619 10.403 5.803) 20.447 2.522 ( 19.310 8.536 9.074) 22.980 3.022 ( -2.491 -6.088 5.438) 8.534 3.034 ( 3.832 -10.252 4.835) 11.965 3.245 ( -2.063 -4.692 3.019) 5.949 3.403 ( -1.193 -1.202 -1.856) 2.513 3.487 ( 2.372 -10.894 -1.979) 11.323 3.653 ( -12.527 -1.720 -1.602) 12.745 3.843 ( -7.011 12.769 -1.335) 14.628 3.939 ( -6.587 -4.235 -5.724) 9.700 4.178 ( 4.870 3.267 4.410) 7.338 4.385 ( 9.730 2.764 0.094) 10.116 4.464 ( -0.290 -3.826 0.156) 3.840 4.578 ( 12.202 3.969 4.307) 13.535 4.613 ( 0.269 9.488 -3.525) 10.125 4.857 ( 18.287 14.425 3.680) 23.581 4.983 ( 4.554 -8.454 -6.715) 11.718 5.308 ( -1.068 -0.533 -0.087) 1.197 5.533 ( 2.039 1.136 1.191) 2.621 5.577 ( -2.662 -5.316 -3.292) 6.796 5.648 ( -4.584 -1.005 -6.636) 8.128 6.256 ( 0.532 8.584 -2.274) 8.896 6.284 ( 8.647 -8.089 1.460) 11.931 6.530 ( 9.941 8.871 -1.254) 13.382 6.581 ( -0.608 2.683 -2.905) 4.001 6.836 ( 4.254 4.910 0.559) 6.520 6.916 ( 9.437 -1.811 -1.009) 9.662 7.069 ( 0.080 2.791 -6.335) 6.923 7.527 ( -4.995 -10.121 1.896) 11.445 7.633 ( 5.380 3.429 3.406) 7.232 7.680 ( -0.985 -2.483 -0.991) 2.849 7.775 ( -7.476 6.315 2.415) 10.080 8.081 ( -7.243 4.532 1.255) 8.636 8.254 ( -6.380 -6.438 -2.359) 9.366 8.385 ( -2.904 9.864 -11.994) 15.799 8.493 ( -2.652 -4.578 2.381) 5.802 8.698 ( 0.044 -3.530 -0.948) 3.655 8.725 ( -1.618 11.545 -5.320) 12.814 8.969 ( -0.029 10.650 -5.518) 11.995 9.433 ( 0.321 -0.203 -24.705) 24.708 9.733 ( -5.126 11.586 -14.295) 19.102 9.891 ( 19.388 7.650 27.704) 34.669 10.318 ( -8.296 -9.257 -17.625) 21.568 10.548 ( -4.677 -8.608 -2.248) 10.051 10.877 ( 10.603 -1.426 19.488) 22.232 11.576 ( -6.242 -7.035 18.539) 20.788 11.674 ( -5.268 -17.604 4.577) 18.937 11.738 ( -11.781 -11.528 13.702) 21.434 12.662 ( 7.964 8.013 -0.695) 11.319 12.949 ( 13.814 6.478 10.232) 18.370 13.114 ( 0.729 -1.946 12.397) 12.570 13.361 ( -11.691 -6.119 -7.320) 15.090 13.758 ( 1.694 -18.200 0.465) 18.285 13.774 ( -4.868 -13.398 -2.720) 14.512 13.953 ( -13.910 0.096 9.398) 16.788 14.026 ( -10.389 -2.930 8.104) 13.498 15.434 ( 12.556 10.494 -5.594) 17.294 15.668 ( 21.195 3.492 -8.778) 23.205 15.844 ( 0.574 24.505 -6.778) 25.431 16.772 ( -12.975 -5.603 -12.597) 18.932 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 13.451 1.496 4.090) 14.139 2.838 ( 3.042 0.281 5.845) 6.595 2.939 ( 3.004 -3.760 2.906) 5.622 3.079 ( -1.266 -7.202 3.056) 7.926 3.207 ( 1.020 -3.405 5.800) 6.803 3.368 ( -12.183 -3.141 4.426) 13.337 3.410 ( 1.317 -5.939 -2.243) 6.484 3.493 ( -3.942 -8.127 -2.209) 9.299 3.773 ( 0.942 9.118 2.704) 9.557 3.826 ( -3.631 1.622 1.030) 4.108 4.238 ( 2.457 2.626 -3.143) 4.776 4.316 ( -5.460 3.500 -7.550) 9.953 4.535 ( 2.914 3.552 2.391) 5.179 4.581 ( -1.626 2.761 0.688) 3.277 4.888 ( 12.845 5.375 -0.422) 13.931 5.031 ( -0.213 -2.990 -5.647) 6.393 5.258 ( 3.280 7.433 3.629) 8.898 5.324 ( -0.785 -1.757 -0.137) 1.929 5.490 ( 8.691 8.880 -1.743) 12.547 5.594 ( -1.543 -8.064 -10.118) 13.030 5.695 ( 13.103 1.590 2.848) 13.502 6.072 ( -16.365 9.627 5.154) 19.674 6.481 ( 6.469 -6.152 2.355) 9.233 6.544 ( -1.126 -0.034 -0.580) 1.267 6.818 ( 15.166 4.302 -6.823) 17.177 6.972 ( 7.530 4.988 -3.760) 9.784 7.024 ( -0.935 1.148 -8.878) 9.001 7.158 ( 11.193 2.294 -1.712) 11.554 7.312 ( -13.845 -4.948 -6.039) 15.895 7.496 ( -16.475 3.894 -1.114) 16.966 7.709 ( 3.458 -4.394 -3.058) 6.373 7.773 ( 4.606 2.854 4.765) 7.216 7.893 ( -6.549 -0.809 5.198) 8.400 8.009 ( -11.889 -7.417 -1.576) 14.102 8.415 ( 5.024 0.497 -1.456) 5.254 8.509 ( -2.399 -3.224 1.345) 4.238 8.657 ( 1.565 5.192 -2.361) 5.915 8.729 ( -3.325 14.952 -9.023) 17.777 9.073 ( 11.112 16.643 -11.425) 23.043 9.322 ( -11.300 9.381 -22.528) 26.892 9.770 ( 9.036 1.469 -22.336) 24.139 10.010 ( -12.420 -7.352 -25.234) 29.070 10.297 ( 13.282 4.780 23.100) 27.071 10.495 ( -4.881 -2.920 16.966) 17.894 11.155 ( 15.979 -4.514 25.970) 30.825 11.454 ( -9.003 -8.629 23.571) 26.666 11.507 ( -7.172 -10.595 17.256) 21.481 11.540 ( -6.292 -18.547 5.489) 20.340 12.839 ( 9.662 3.903 -4.696) 11.430 13.047 ( -10.018 0.128 -5.583) 11.469 13.268 ( 16.920 3.585 11.555) 20.801 13.324 ( 10.281 -4.195 7.388) 13.337 13.579 ( -13.181 -4.917 4.391) 14.738 13.633 ( -16.950 0.381 10.623) 20.007 13.809 ( 2.239 -17.061 1.434) 17.267 13.870 ( -4.523 -12.559 3.935) 13.916 15.661 ( 9.539 14.137 -8.191) 18.919 15.805 ( -4.557 18.933 -8.574) 21.277 16.090 ( 20.152 0.548 -11.962) 23.441 16.468 ( -17.044 -2.377 -13.119) 21.640 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 0.000 25.967 16.224) 30.619 2.129 ( 0.000 28.779 10.049) 30.483 2.501 ( 0.000 -19.862 14.025) 24.314 2.609 ( 0.000 -19.710 5.676) 20.511 2.834 ( 0.000 1.741 -0.136) 1.746 2.974 ( 0.000 -11.561 -0.816) 11.590 3.485 ( 0.000 28.868 3.636) 29.096 3.645 ( 0.000 -3.462 -3.024) 4.597 3.758 ( 0.000 6.723 3.249) 7.467 4.097 ( 0.000 -6.695 -3.484) 7.548 4.177 ( 0.000 -3.945 -3.133) 5.037 4.196 ( 0.000 -1.399 0.483) 1.480 4.520 ( 0.000 0.856 6.887) 6.940 4.634 ( 0.000 -13.153 9.392) 16.162 4.942 ( 0.000 4.293 -0.918) 4.390 4.994 ( 0.000 1.242 -1.534) 1.974 5.157 ( 0.000 2.312 -7.812) 8.147 5.228 ( 0.000 -3.951 -9.157) 9.973 5.441 ( 0.000 5.103 -1.902) 5.446 5.609 ( 0.000 -11.131 -2.904) 11.504 5.649 ( 0.000 0.831 -16.005) 16.027 5.654 ( 0.000 0.064 -23.720) 23.720 6.125 ( 0.000 0.786 -2.956) 3.059 6.167 ( 0.000 -4.255 -0.052) 4.255 6.662 ( 0.000 12.061 7.977) 14.461 6.756 ( 0.000 1.484 10.369) 10.475 7.038 ( 0.000 -2.336 7.210) 7.579 7.094 ( 0.000 -7.121 3.884) 8.112 7.458 ( 0.000 9.820 -2.606) 10.160 7.561 ( 0.000 3.306 -7.042) 7.779 7.907 ( 0.000 15.500 2.111) 15.643 8.090 ( 0.000 -4.518 -1.186) 4.671 8.106 ( 0.000 16.998 8.203) 18.874 8.181 ( 0.000 6.967 -2.397) 7.368 8.475 ( 0.000 -5.751 -4.289) 7.174 8.702 ( 0.000 -16.793 5.418) 17.646 8.731 ( 0.000 -0.060 3.230) 3.231 8.783 ( 0.000 -9.303 4.307) 10.252 9.093 ( 0.000 4.184 -5.338) 6.783 9.155 ( 0.000 10.396 10.916) 15.074 9.219 ( 0.000 0.330 1.041) 1.092 9.522 ( 0.000 -20.306 13.387) 24.322 10.663 ( 0.000 3.763 -3.540) 5.166 10.729 ( 0.000 -3.102 -0.104) 3.104 10.784 ( 0.000 21.379 4.458) 21.839 11.322 ( 0.000 -34.566 -1.318) 34.591 12.173 ( 0.000 12.989 -13.335) 18.616 12.352 ( 0.000 -0.332 -2.081) 2.107 12.534 ( 0.000 -4.915 -14.681) 15.482 12.568 ( 0.000 -0.683 -1.585) 1.726 12.963 ( 0.000 6.732 7.688) 10.219 13.205 ( 0.000 -16.841 11.431) 20.354 14.054 ( 0.000 1.328 -8.440) 8.544 14.075 ( 0.000 -0.917 -8.425) 8.475 14.221 ( 0.000 0.980 -9.210) 9.262 14.246 ( 0.000 -1.647 -8.803) 8.956 14.991 ( 0.000 3.189 10.924) 11.379 14.994 ( 0.000 2.672 9.692) 10.054 16.282 ( 0.000 30.012 4.367) 30.329 16.783 ( 0.000 -23.438 1.952) 23.519 ======================= Grid point 91 (37/100) ======================= q-point: ( 0.11 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 7.925 24.147 15.033) 29.527 2.290 ( 12.361 27.947 7.208) 31.397 2.550 ( 4.836 -18.936 12.982) 23.463 2.778 ( 14.185 -19.484 3.712) 24.385 2.870 ( 3.290 -1.213 1.956) 4.016 2.989 ( 2.435 -10.020 0.881) 10.349 3.516 ( 1.960 16.405 -3.129) 16.816 3.691 ( 3.297 -6.936 -3.123) 8.291 3.822 ( 8.459 17.577 8.897) 21.440 4.134 ( 0.006 3.027 -4.588) 5.496 4.157 ( 1.396 -7.330 0.582) 7.485 4.179 ( -0.727 -3.661 -3.255) 4.953 4.432 ( -7.587 3.323 3.923) 9.165 4.576 ( -6.703 -8.630 3.943) 11.617 4.849 ( -5.940 3.711 1.912) 7.260 4.951 ( -5.123 -4.985 0.478) 7.164 5.093 ( -3.491 9.236 -10.170) 14.175 5.291 ( 3.328 -10.845 -9.502) 14.798 5.404 ( -1.612 4.381 -7.572) 8.895 5.472 ( -5.502 -2.893 -11.381) 12.968 5.717 ( 4.381 -1.256 -2.866) 5.384 5.767 ( 4.431 -5.643 -0.596) 7.200 6.165 ( 5.038 4.422 -7.207) 9.843 6.258 ( 6.598 -5.269 -5.407) 10.026 6.696 ( 3.003 9.184 8.192) 12.668 6.773 ( 1.694 2.200 9.052) 9.468 6.987 ( -3.642 3.323 6.461) 8.127 7.132 ( 0.612 -7.477 2.868) 8.032 7.389 ( -2.603 7.683 -0.777) 8.150 7.501 ( -3.536 -1.220 -2.220) 4.350 7.876 ( -3.050 10.904 -1.582) 11.433 8.064 ( -0.569 -3.482 -3.719) 5.127 8.178 ( 0.586 11.521 5.257) 12.677 8.293 ( 9.980 10.118 1.335) 14.275 8.431 ( -2.432 0.708 -3.630) 4.426 8.652 ( -0.478 -5.304 -0.092) 5.326 8.739 ( -2.903 -4.042 -1.841) 5.306 8.852 ( 2.754 -9.416 -2.136) 10.040 9.041 ( -2.876 5.129 -3.016) 6.609 9.228 ( 6.101 -11.654 -1.882) 13.288 9.346 ( 12.892 11.098 20.878) 26.930 9.574 ( 4.478 -13.328 13.528) 19.511 10.551 ( -8.118 9.441 -5.251) 13.513 10.707 ( -3.347 -6.290 -4.572) 8.465 10.858 ( 4.059 15.186 3.462) 16.096 11.305 ( -1.162 -31.202 -0.434) 31.227 11.941 ( -14.392 8.334 -7.336) 18.177 12.108 ( -17.484 -8.887 -8.353) 21.318 12.624 ( 8.374 11.926 0.487) 14.580 12.763 ( 7.353 2.092 1.273) 7.750 13.021 ( 3.848 -0.056 8.106) 8.973 13.226 ( 2.849 -17.173 7.758) 19.058 13.877 ( -12.907 1.437 -11.025) 17.035 13.919 ( -11.344 -3.001 -10.250) 15.581 14.262 ( 0.074 0.734 -2.457) 2.566 14.279 ( -0.108 -1.045 -2.645) 2.846 15.076 ( 8.054 3.149 6.333) 10.719 15.082 ( 8.808 2.674 6.628) 11.343 16.300 ( 1.376 28.885 1.325) 28.949 16.777 ( -0.893 -22.058 -1.266) 22.113 ======================= Grid point 92 (38/100) ======================= q-point: ( 0.22 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 11.265 18.411 13.267) 25.335 2.521 ( 9.903 23.238 3.909) 25.561 2.674 ( 6.826 -16.168 11.107) 20.769 2.907 ( 0.605 -11.799 2.856) 12.155 3.055 ( 9.802 -6.738 2.669) 12.191 3.113 ( 8.160 -11.031 4.163) 14.339 3.528 ( -1.270 8.785 -4.747) 10.066 3.711 ( -2.090 -10.542 -1.894) 10.913 4.067 ( -3.417 4.410 -8.979) 10.571 4.116 ( 0.234 0.773 -2.591) 2.713 4.171 ( 19.134 16.364 4.859) 25.642 4.228 ( -4.750 7.108 1.213) 8.635 4.349 ( 3.529 -6.771 1.889) 7.866 4.423 ( -1.700 -4.186 0.112) 4.519 4.763 ( -1.074 3.904 2.464) 4.740 4.839 ( -4.662 -5.498 -2.374) 7.589 5.034 ( -2.724 14.334 -13.731) 20.035 5.290 ( -2.177 -11.667 -15.232) 19.310 5.396 ( 1.120 3.398 1.838) 4.023 5.490 ( 5.619 -4.006 -0.207) 6.904 5.767 ( -0.475 -0.558 5.859) 5.905 5.849 ( 5.573 -9.785 8.673) 14.213 6.302 ( 7.595 5.839 -11.392) 14.885 6.393 ( 6.610 -3.242 -8.437) 11.198 6.770 ( 4.388 3.451 6.938) 8.905 6.823 ( 2.401 -0.482 7.680) 8.061 6.900 ( -3.874 14.073 3.604) 15.035 7.103 ( -1.630 -3.084 -4.856) 5.980 7.400 ( 0.762 -1.907 4.124) 4.607 7.475 ( 0.323 -6.566 0.395) 6.586 7.813 ( -2.037 10.463 -3.045) 11.086 8.041 ( -1.175 -11.826 -6.283) 13.443 8.136 ( -4.163 15.263 7.598) 17.550 8.370 ( -3.975 -3.715 -2.850) 6.142 8.448 ( 1.405 6.758 5.698) 8.951 8.611 ( -7.996 -7.518 -2.979) 11.372 8.701 ( 1.290 8.561 -11.944) 14.751 8.864 ( 2.461 -4.200 -14.915) 15.690 9.003 ( 1.986 14.402 -3.234) 14.894 9.442 ( 11.213 -26.187 -1.303) 28.516 9.658 ( 16.729 6.667 24.818) 30.663 9.666 ( 4.479 7.355 12.485) 15.167 10.379 ( -8.162 5.006 -8.942) 13.101 10.554 ( -11.381 -11.039 -14.910) 21.765 10.898 ( 0.049 14.578 4.154) 15.158 11.286 ( -1.410 -26.066 1.609) 26.154 11.703 ( -9.072 3.864 5.018) 11.064 11.808 ( -11.491 -6.955 2.876) 13.736 12.742 ( 4.528 11.884 7.099) 14.564 12.890 ( 5.789 1.856 6.443) 8.858 13.061 ( 1.246 2.880 11.470) 11.891 13.317 ( 4.894 -18.453 2.690) 19.280 13.605 ( -13.277 2.259 -10.816) 17.274 13.696 ( -9.924 -7.287 -8.925) 15.207 14.184 ( -7.632 0.758 4.821) 9.059 14.201 ( -7.523 -0.975 4.600) 8.872 15.302 ( 13.773 4.551 -0.813) 14.528 15.336 ( 15.762 1.086 -1.376) 15.859 16.316 ( -0.284 25.497 -4.271) 25.854 16.728 ( -4.356 -18.325 -6.757) 20.011 ======================= Grid point 93 (39/100) ======================= q-point: ( 0.33 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 9.473 12.827 10.326) 18.998 2.715 ( 9.724 11.969 5.204) 16.275 2.807 ( 6.010 -12.952 9.279) 17.029 2.909 ( -0.346 -7.614 5.205) 9.230 3.144 ( 0.005 -2.532 4.866) 5.485 3.232 ( 3.088 -11.998 1.454) 12.474 3.451 ( -6.062 5.301 -1.922) 8.279 3.574 ( -10.956 -7.148 0.613) 13.097 3.983 ( -2.409 7.913 -6.514) 10.529 4.076 ( -3.834 9.138 -1.046) 9.965 4.150 ( 0.070 -4.080 -3.524) 5.392 4.283 ( -3.106 -9.465 1.281) 10.043 4.562 ( 10.787 10.670 -3.490) 15.569 4.691 ( 17.570 3.945 0.617) 18.018 4.792 ( 0.161 -0.217 -7.329) 7.333 4.828 ( 3.658 -1.301 -3.986) 5.564 5.054 ( 9.602 8.107 -8.066) 14.932 5.263 ( 0.539 -10.145 -12.395) 16.027 5.457 ( 3.328 6.185 3.664) 7.921 5.576 ( 1.214 -3.492 -2.028) 4.216 5.740 ( 1.049 10.824 10.990) 15.461 6.021 ( 11.536 -17.108 10.904) 23.338 6.418 ( 2.118 7.265 -5.483) 9.345 6.525 ( 4.859 -4.091 -6.522) 9.104 6.770 ( -2.341 10.161 2.524) 10.729 6.879 ( 6.036 -2.653 1.732) 6.817 6.953 ( 5.835 8.484 1.543) 10.412 7.109 ( 2.915 -2.378 -6.636) 7.628 7.349 ( -5.935 -3.967 -1.412) 7.277 7.454 ( -2.173 -11.282 -4.386) 12.298 7.818 ( 1.199 11.002 1.447) 11.161 8.011 ( -8.268 11.104 3.495) 14.279 8.047 ( 0.215 -8.123 0.748) 8.161 8.186 ( -13.065 1.299 -0.364) 13.134 8.347 ( -13.185 -5.384 3.194) 14.595 8.398 ( -5.206 -9.799 7.680) 13.495 8.788 ( 6.735 13.685 -21.626) 26.464 8.978 ( 7.413 -3.547 -21.936) 23.424 9.144 ( 9.255 21.372 -5.384) 23.905 9.482 ( -6.508 -4.381 -17.138) 18.848 9.840 ( 11.083 3.483 10.211) 15.468 9.961 ( 10.383 -2.160 17.106) 20.127 10.236 ( -5.104 2.273 -8.400) 10.089 10.343 ( -6.447 -9.883 -8.404) 14.487 10.919 ( 3.916 8.231 11.941) 15.023 11.225 ( -3.974 -23.200 3.568) 23.807 11.532 ( -9.126 1.861 17.753) 20.048 11.612 ( -9.686 -5.757 17.889) 21.142 12.855 ( 6.803 10.863 3.608) 13.316 13.016 ( 7.387 -5.184 9.532) 13.126 13.132 ( 6.785 10.008 9.137) 15.155 13.348 ( -9.293 2.466 -8.395) 12.764 13.415 ( 2.410 -15.110 2.139) 15.450 13.526 ( -7.144 -12.004 -6.926) 15.592 13.967 ( -13.409 1.103 9.409) 16.418 13.991 ( -12.731 -1.415 9.199) 15.770 15.604 ( 15.452 7.185 -6.370) 18.192 15.688 ( 18.364 -1.652 -7.457) 19.889 16.271 ( -4.434 20.598 -8.226) 22.619 16.593 ( -9.074 -13.597 -10.250) 19.294 ======================= Grid point 94 (40/100) ======================= q-point: ( 0.44 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 7.410 7.608 8.116) 13.366 2.849 ( -2.568 1.611 7.569) 8.154 2.903 ( 4.989 -2.302 7.458) 9.263 2.916 ( 2.873 -10.299 8.855) 13.883 3.145 ( 2.695 0.911 3.246) 4.316 3.247 ( -1.444 -7.101 -1.075) 7.325 3.326 ( -5.771 -3.331 -0.516) 6.683 3.340 ( -8.726 -4.998 1.823) 10.220 3.976 ( 0.998 11.688 -1.391) 11.813 4.008 ( -2.309 13.333 0.465) 13.540 4.183 ( 2.240 -8.680 -2.138) 9.216 4.231 ( -2.408 -9.678 -0.385) 9.980 4.685 ( 3.997 11.648 -6.781) 14.058 4.756 ( -3.132 11.974 -7.820) 14.640 4.898 ( 3.794 -8.711 -7.953) 12.391 4.922 ( 3.495 -4.623 -4.102) 7.101 5.283 ( 8.977 1.404 -4.237) 10.026 5.363 ( 6.682 -3.192 -5.533) 9.244 5.461 ( -3.174 -0.319 -1.828) 3.676 5.510 ( -5.170 -2.917 -4.487) 7.442 5.954 ( 18.259 19.511 11.476) 29.082 6.276 ( 7.117 -7.349 5.520) 11.624 6.318 ( -7.562 5.747 6.476) 11.496 6.490 ( -6.475 -5.984 2.052) 9.053 6.890 ( 11.357 4.514 -7.588) 14.385 6.983 ( 3.699 -4.277 -7.130) 9.100 7.039 ( 0.986 3.416 -3.315) 4.862 7.151 ( -9.575 -8.637 -6.479) 14.431 7.285 ( 12.064 9.183 -2.810) 15.419 7.490 ( 8.160 -12.118 -5.408) 15.578 7.634 ( -18.208 7.841 -1.328) 19.869 7.786 ( -17.824 -7.709 -2.511) 19.582 7.977 ( 3.021 12.276 7.525) 14.712 8.058 ( -3.965 9.798 7.996) 13.254 8.233 ( 1.728 -12.516 7.489) 14.688 8.303 ( -4.300 -13.634 9.038) 16.913 8.952 ( 8.987 17.703 -24.552) 31.574 9.086 ( -0.453 14.266 -21.548) 25.847 9.268 ( 2.935 -2.221 -23.727) 24.011 9.344 ( -4.244 -1.162 -21.476) 21.922 9.955 ( 0.628 8.535 -7.451) 11.348 9.995 ( -1.858 15.920 -2.899) 16.288 10.282 ( 4.423 -12.554 11.834) 17.811 10.309 ( 1.584 -11.735 9.877) 15.420 11.090 ( 12.429 -1.190 22.136) 25.415 11.190 ( 2.264 -13.621 12.261) 18.466 11.326 ( -10.284 -2.086 21.386) 23.822 11.373 ( -13.790 -5.474 24.405) 28.561 12.999 ( 7.180 11.744 -3.409) 14.181 13.145 ( -5.544 8.632 -4.834) 11.341 13.214 ( 7.222 -7.540 0.827) 10.473 13.339 ( 10.033 1.693 8.788) 13.445 13.394 ( -3.080 -9.639 -1.531) 10.234 13.514 ( 6.842 -12.704 6.393) 15.782 13.664 ( -15.944 2.139 11.528) 19.791 13.719 ( -13.006 -4.302 10.557) 17.295 15.901 ( 13.453 10.861 -9.185) 19.578 16.051 ( 17.097 -5.048 -10.496) 20.687 16.133 ( -9.305 15.439 -9.760) 20.499 16.363 ( -13.615 -9.036 -11.352) 19.897 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 0.000 32.973) 32.973 1.554 ( 0.000 0.000 34.379) 34.379 2.493 ( 0.000 0.000 51.610) 51.610 3.002 ( 0.000 0.000 5.307) 5.307 3.048 ( 0.000 0.000 12.494) 12.494 3.231 ( 0.000 0.000 2.041) 2.041 3.698 ( 0.000 0.000 11.151) 11.151 3.717 ( 0.000 0.000 -3.875) 3.875 3.998 ( 0.000 0.000 -12.306) 12.306 4.100 ( 0.000 0.000 -1.745) 1.745 4.100 ( 0.000 0.000 -3.416) 3.416 4.129 ( 0.000 0.000 -20.296) 20.296 4.356 ( 0.000 0.000 1.412) 1.412 4.360 ( 0.000 0.000 -4.030) 4.030 4.681 ( 0.000 0.000 3.260) 3.260 5.055 ( 0.000 0.000 -11.778) 11.778 5.141 ( 0.000 0.000 -10.687) 10.687 5.143 ( 0.000 0.000 -10.265) 10.265 5.198 ( 0.000 0.000 5.810) 5.810 5.506 ( 0.000 0.000 -2.669) 2.669 5.739 ( 0.000 0.000 -1.547) 1.547 5.838 ( 0.000 0.000 -0.340) 0.340 5.843 ( 0.000 0.000 -10.561) 10.561 6.280 ( 0.000 0.000 -6.861) 6.861 6.401 ( 0.000 0.000 -5.847) 5.847 6.541 ( 0.000 0.000 9.832) 9.832 7.069 ( 0.000 0.000 11.142) 11.142 7.084 ( 0.000 0.000 14.961) 14.961 7.396 ( 0.000 0.000 -0.871) 0.871 7.530 ( 0.000 0.000 12.527) 12.527 7.677 ( 0.000 0.000 10.160) 10.160 8.018 ( 0.000 0.000 -6.229) 6.229 8.044 ( 0.000 0.000 2.344) 2.344 8.118 ( 0.000 0.000 2.378) 2.378 8.224 ( 0.000 0.000 -3.662) 3.662 8.691 ( 0.000 0.000 -7.329) 7.329 8.853 ( 0.000 0.000 23.598) 23.598 8.927 ( 0.000 0.000 -3.764) 3.764 9.052 ( 0.000 0.000 -2.086) 2.086 9.090 ( 0.000 0.000 5.752) 5.752 9.198 ( 0.000 0.000 -5.534) 5.534 10.158 ( 0.000 0.000 -20.150) 20.150 10.525 ( 0.000 0.000 -5.273) 5.273 10.621 ( 0.000 0.000 4.463) 4.463 10.963 ( 0.000 0.000 6.588) 6.588 11.838 ( 0.000 0.000 -5.943) 5.943 12.314 ( 0.000 0.000 13.159) 13.159 12.377 ( 0.000 0.000 -20.740) 20.740 12.441 ( 0.000 0.000 9.150) 9.150 12.763 ( 0.000 0.000 -23.492) 23.492 13.079 ( 0.000 0.000 -3.053) 3.053 13.795 ( 0.000 0.000 -8.234) 8.234 13.889 ( 0.000 0.000 -9.170) 9.170 14.098 ( 0.000 0.000 -12.365) 12.365 14.205 ( 0.000 0.000 0.781) 0.781 14.372 ( 0.000 0.000 -2.137) 2.137 14.943 ( 0.000 0.000 12.422) 12.422 15.011 ( 0.000 0.000 27.416) 27.416 15.017 ( 0.000 0.000 17.557) 17.557 17.228 ( 0.000 0.000 -11.039) 11.039 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 13.730 0.000 27.799) 31.004 1.616 ( 7.924 0.000 31.587) 32.566 2.813 ( 26.570 0.000 39.964) 47.991 3.102 ( 9.010 0.000 4.070) 9.887 3.123 ( 8.251 0.000 15.345) 17.422 3.258 ( 2.488 0.000 1.997) 3.190 3.600 ( -9.083 0.000 -2.985) 9.561 3.801 ( 5.183 0.000 4.151) 6.641 3.903 ( -7.399 0.000 -10.766) 13.063 3.929 ( -5.750 0.000 -2.814) 6.402 4.111 ( -1.015 0.000 -4.196) 4.317 4.191 ( -0.691 0.000 -8.791) 8.818 4.258 ( 0.232 0.000 -4.081) 4.087 4.636 ( -1.851 0.000 6.062) 6.339 4.640 ( 14.548 0.000 -0.084) 14.548 4.724 ( -13.317 0.000 -4.744) 14.137 5.103 ( -1.965 0.000 -10.357) 10.542 5.314 ( 9.939 0.000 1.402) 10.037 5.408 ( 8.141 0.000 -10.121) 12.989 5.508 ( -3.493 0.000 -6.728) 7.581 5.741 ( -2.086 0.000 -2.331) 3.128 5.757 ( -3.914 0.000 -7.592) 8.542 6.019 ( 13.463 0.000 -5.689) 14.616 6.078 ( -11.078 0.000 2.904) 11.452 6.407 ( -0.464 0.000 -4.159) 4.185 6.687 ( 7.422 0.000 -1.274) 7.530 6.975 ( -4.539 0.000 10.650) 11.577 7.146 ( 2.119 0.000 12.256) 12.438 7.382 ( -0.036 0.000 -0.585) 0.586 7.544 ( 1.733 0.000 13.770) 13.878 7.802 ( 6.674 0.000 5.027) 8.356 7.911 ( -3.127 0.000 2.627) 4.085 7.923 ( -8.100 0.000 -4.051) 9.057 8.143 ( -5.123 0.000 -10.374) 11.570 8.235 ( 3.107 0.000 1.391) 3.404 8.639 ( -1.579 0.000 -2.628) 3.066 8.831 ( -2.521 0.000 0.400) 2.552 8.956 ( -7.979 0.000 -3.781) 8.830 9.037 ( -4.441 0.000 1.483) 4.682 9.210 ( 23.399 0.000 22.024) 32.134 9.251 ( 3.126 0.000 -0.392) 3.151 9.786 ( -27.843 0.000 -24.026) 36.777 10.598 ( -3.826 0.000 -2.308) 4.468 10.633 ( 4.422 0.000 -2.102) 4.897 10.960 ( 0.286 0.000 7.298) 7.304 12.012 ( 15.558 0.000 -3.751) 16.004 12.085 ( -12.209 0.000 -3.781) 12.781 12.337 ( 0.992 0.000 12.708) 12.746 12.519 ( 1.664 0.000 5.624) 5.865 12.605 ( -12.499 0.000 -17.785) 21.738 13.348 ( 18.939 0.000 -1.775) 19.022 13.911 ( 8.775 0.000 -8.549) 12.251 13.916 ( -1.589 0.000 -11.297) 11.408 14.178 ( 7.870 0.000 -10.386) 13.031 14.205 ( -0.020 0.000 0.807) 0.807 14.384 ( 1.029 0.000 -2.077) 2.318 14.941 ( -0.092 0.000 9.613) 9.613 14.973 ( -2.867 0.000 21.741) 21.930 14.988 ( -2.324 0.000 14.406) 14.592 17.072 ( -13.843 0.000 -11.884) 18.245 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 18.645 0.000 19.488) 26.971 1.928 ( 20.253 0.000 17.250) 26.603 3.139 ( 2.801 0.000 10.279) 10.654 3.293 ( 6.556 0.000 1.030) 6.637 3.327 ( 5.308 0.000 5.009) 7.298 3.400 ( -1.181 0.000 2.099) 2.408 3.597 ( -14.850 0.000 -11.526) 18.798 3.626 ( 26.821 0.000 20.294) 33.634 3.797 ( 2.229 0.000 -2.523) 3.366 4.000 ( -9.603 0.000 -8.037) 12.523 4.108 ( 0.359 0.000 3.716) 3.733 4.183 ( 14.144 0.000 7.886) 16.194 4.300 ( 3.424 0.000 0.367) 3.444 4.585 ( 0.009 0.000 -2.104) 2.104 4.651 ( 2.521 0.000 6.354) 6.836 4.903 ( 7.985 0.000 -3.547) 8.738 5.066 ( -0.790 0.000 -1.175) 1.416 5.364 ( -7.575 0.000 -7.713) 10.811 5.512 ( 2.045 0.000 -8.774) 9.009 5.516 ( -9.772 0.000 -4.990) 10.972 5.578 ( 7.936 0.000 3.284) 8.588 5.702 ( -0.897 0.000 -5.107) 5.185 6.038 ( 5.480 0.000 0.979) 5.567 6.259 ( 8.938 0.000 -9.073) 12.736 6.345 ( -5.610 0.000 -0.808) 5.667 6.761 ( 0.117 0.000 -6.797) 6.798 6.925 ( -0.107 0.000 4.996) 4.997 7.152 ( -2.382 0.000 10.545) 10.811 7.426 ( 4.335 0.000 -2.311) 4.913 7.601 ( 2.752 0.000 12.650) 12.946 7.727 ( -4.835 0.000 -5.100) 7.028 7.762 ( -6.824 0.000 -9.800) 11.942 8.042 ( -4.903 0.000 -13.166) 14.049 8.073 ( 7.487 0.000 6.888) 10.173 8.191 ( -4.677 0.000 -1.703) 4.977 8.708 ( 5.658 0.000 6.411) 8.551 8.734 ( -8.108 0.000 -1.135) 8.187 8.751 ( -11.821 0.000 -6.744) 13.610 8.972 ( 0.304 0.000 -6.530) 6.537 9.186 ( -26.967 0.000 -29.215) 39.759 9.286 ( 0.130 0.000 5.413) 5.414 9.758 ( 27.582 0.000 29.392) 40.308 10.356 ( -19.867 0.000 -21.511) 29.282 10.676 ( 0.856 0.000 -0.207) 0.881 11.069 ( 11.931 0.000 16.559) 20.410 12.040 ( 6.584 0.000 10.796) 12.646 12.209 ( -12.664 0.000 -10.459) 16.425 12.360 ( 9.450 0.000 15.245) 17.937 12.483 ( 8.035 0.000 2.777) 8.502 12.593 ( 6.361 0.000 6.912) 9.393 13.607 ( 3.095 0.000 10.393) 10.844 13.832 ( -5.320 0.000 -8.372) 9.919 14.052 ( 3.826 0.000 -4.479) 5.891 14.203 ( -0.252 0.000 0.813) 0.851 14.287 ( 0.792 0.000 -2.050) 2.198 14.385 ( -2.085 0.000 1.561) 2.605 14.943 ( 1.008 0.000 2.291) 2.503 14.969 ( 1.252 0.000 1.942) 2.311 14.971 ( 5.101 0.000 2.113) 5.521 16.743 ( -17.582 0.000 -17.584) 24.866 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 22.903 0.000 7.437) 24.080 2.346 ( 20.235 0.000 6.131) 21.143 3.106 ( -2.769 0.000 0.713) 2.860 3.273 ( -12.135 0.000 -5.425) 13.293 3.300 ( -7.234 0.000 -4.797) 8.680 3.376 ( -0.851 0.000 0.007) 0.851 3.416 ( 1.118 0.000 3.685) 3.851 3.655 ( -16.441 0.000 -6.305) 17.608 3.899 ( 10.336 0.000 2.369) 10.604 4.138 ( 5.824 0.000 7.549) 9.534 4.271 ( 14.074 0.000 22.425) 26.476 4.463 ( 10.223 0.000 0.060) 10.223 4.510 ( 13.362 0.000 7.018) 15.092 4.681 ( 15.345 0.000 7.194) 16.948 4.693 ( 1.243 0.000 9.790) 9.869 4.905 ( -4.686 0.000 0.004) 4.686 5.062 ( -0.921 0.000 -3.808) 3.917 5.196 ( -14.827 0.000 2.125) 14.978 5.279 ( -1.533 0.000 -12.571) 12.664 5.561 ( 5.020 0.000 -3.701) 6.236 5.698 ( -0.797 0.000 -2.825) 2.935 5.902 ( 18.236 0.000 -6.004) 19.199 6.209 ( 10.906 0.000 -2.482) 11.185 6.209 ( -7.403 0.000 -1.095) 7.484 6.406 ( 6.774 0.000 -9.583) 11.735 6.719 ( -3.537 0.000 -7.393) 8.195 6.966 ( 2.881 0.000 -0.641) 2.951 7.035 ( -7.472 0.000 8.832) 11.568 7.502 ( 1.290 0.000 -8.800) 8.894 7.514 ( -12.821 0.000 -3.096) 13.190 7.702 ( -0.191 0.000 -11.555) 11.557 7.717 ( 3.942 0.000 -5.117) 6.459 7.952 ( -4.649 0.000 -14.147) 14.891 8.019 ( -8.169 0.000 -1.783) 8.361 8.171 ( -0.987 0.000 10.385) 10.432 8.452 ( -15.524 0.000 -4.057) 16.045 8.489 ( -11.614 0.000 -9.073) 14.738 8.800 ( -11.826 0.000 -14.001) 18.327 8.851 ( 7.732 0.000 5.222) 9.330 9.083 ( 9.125 0.000 -14.700) 17.302 9.257 ( -2.980 0.000 9.299) 9.765 9.917 ( -21.081 0.000 -29.284) 36.083 10.285 ( 23.078 0.000 28.150) 36.401 10.696 ( 1.341 0.000 0.459) 1.417 11.413 ( 20.955 0.000 24.427) 32.184 11.963 ( -9.094 0.000 -4.747) 10.258 12.222 ( 7.711 0.000 21.788) 23.112 12.306 ( -8.295 0.000 24.992) 26.333 12.771 ( 10.857 0.000 4.473) 11.743 12.874 ( 22.422 0.000 5.820) 23.165 13.508 ( -9.501 0.000 2.837) 9.915 13.695 ( -7.489 0.000 11.761) 13.943 14.022 ( -8.106 0.000 4.730) 9.385 14.187 ( -10.218 0.000 7.621) 12.747 14.201 ( 0.439 0.000 0.092) 0.449 14.302 ( -4.284 0.000 3.596) 5.593 15.007 ( 4.329 0.000 -10.301) 11.174 15.019 ( 3.187 0.000 -7.751) 8.381 15.214 ( 17.530 0.000 -17.702) 24.913 16.382 ( -18.133 0.000 -24.103) 30.162 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 16.261 0.000 -3.696) 16.675 2.788 ( 22.595 0.000 0.766) 22.608 3.009 ( -13.223 0.000 -8.688) 15.822 3.090 ( 1.320 0.000 -2.695) 3.001 3.145 ( -7.962 0.000 -3.766) 8.808 3.275 ( -18.717 0.000 -10.295) 21.361 3.379 ( 0.518 0.000 7.350) 7.368 3.403 ( -1.529 0.000 5.674) 5.876 4.155 ( 13.144 0.000 10.193) 16.633 4.319 ( 10.977 0.000 11.831) 16.139 4.393 ( -9.111 0.000 9.507) 13.167 4.487 ( 9.885 0.000 14.963) 17.934 4.536 ( -8.792 0.000 12.860) 15.578 4.716 ( -11.132 0.000 13.470) 17.475 4.810 ( 8.690 0.000 4.344) 9.715 4.969 ( -8.058 0.000 1.459) 8.189 5.071 ( 6.276 0.000 -12.053) 13.589 5.142 ( 2.808 0.000 -10.313) 10.688 5.319 ( 14.001 0.000 -6.969) 15.639 5.580 ( -7.517 0.000 -3.175) 8.160 5.777 ( 11.575 0.000 1.304) 11.648 6.029 ( -11.187 0.000 -0.005) 11.187 6.250 ( 14.420 0.000 -6.326) 15.747 6.413 ( 2.503 0.000 -5.132) 5.710 6.567 ( 9.683 0.000 -6.246) 11.523 6.710 ( 9.866 0.000 -8.823) 13.236 6.793 ( -12.055 0.000 0.315) 12.059 7.121 ( -23.957 0.000 -10.062) 25.984 7.146 ( 11.674 0.000 -3.677) 12.239 7.410 ( -11.391 0.000 -10.419) 15.438 7.721 ( 2.832 0.000 -19.170) 19.378 7.818 ( 4.455 0.000 -4.361) 6.235 7.823 ( -6.861 0.000 -21.021) 22.112 7.884 ( -3.403 0.000 3.517) 4.894 8.136 ( -1.112 0.000 5.897) 6.001 8.195 ( -8.285 0.000 -0.880) 8.332 8.442 ( 5.226 0.000 -2.872) 5.963 8.599 ( -9.105 0.000 -4.185) 10.020 9.014 ( 8.006 0.000 5.991) 10.000 9.160 ( -5.966 0.000 8.730) 10.574 9.296 ( 11.067 0.000 -20.310) 23.130 9.553 ( -14.937 0.000 -27.913) 31.658 10.630 ( 10.180 0.000 16.906) 19.734 10.718 ( -0.133 0.000 4.643) 4.645 11.862 ( 22.035 0.000 30.507) 37.633 11.904 ( 3.992 0.000 10.219) 10.971 12.088 ( -11.986 0.000 23.334) 26.233 12.214 ( -10.165 0.000 30.854) 32.485 13.011 ( 12.636 0.000 0.929) 12.670 13.275 ( -13.063 0.000 -2.217) 13.250 13.326 ( 21.917 0.000 9.527) 23.898 13.668 ( 7.007 0.000 15.190) 16.728 13.739 ( -18.324 0.000 10.401) 21.070 13.918 ( -14.957 0.000 12.457) 19.465 14.219 ( 1.124 0.000 -0.021) 1.124 14.246 ( -1.726 0.000 0.779) 1.893 15.074 ( 1.904 0.000 -13.759) 13.890 15.077 ( 1.794 0.000 -14.336) 14.448 15.607 ( 20.227 0.000 -24.948) 32.117 16.006 ( -19.193 0.000 -26.645) 32.838 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 16.246 26.648) 31.210 1.681 ( 0.000 12.969 30.461) 33.107 2.711 ( 0.000 21.839 46.876) 51.714 2.995 ( 0.000 -1.909 11.200) 11.361 3.080 ( 0.000 2.645 1.456) 3.019 3.158 ( 0.000 -6.541 3.485) 7.411 3.524 ( 0.000 -14.189 -0.108) 14.189 3.831 ( 0.000 7.628 3.685) 8.472 3.898 ( 0.000 -8.194 -11.729) 14.308 3.899 ( 0.000 -10.476 -4.246) 11.303 4.153 ( 0.000 -0.101 -4.564) 4.565 4.251 ( 0.000 3.647 0.351) 3.664 4.385 ( 0.000 4.854 -4.179) 6.405 4.395 ( 0.000 5.497 -11.163) 12.443 4.780 ( 0.000 8.989 3.537) 9.660 5.019 ( 0.000 -4.641 -8.420) 9.614 5.099 ( 0.000 -3.621 -10.225) 10.847 5.120 ( 0.000 -0.930 -9.414) 9.460 5.187 ( 0.000 -1.633 0.310) 1.662 5.495 ( 0.000 -1.313 -3.975) 4.187 5.729 ( 0.000 -9.527 1.679) 9.674 5.839 ( 0.000 0.085 -9.537) 9.537 5.936 ( 0.000 18.434 -1.709) 18.513 6.050 ( 0.000 -12.985 -6.969) 14.737 6.609 ( 0.000 11.892 -2.720) 12.199 6.611 ( 0.000 2.657 6.988) 7.476 7.069 ( 0.000 2.693 16.760) 16.975 7.106 ( 0.000 4.132 9.246) 10.127 7.357 ( 0.000 -3.796 -0.635) 3.849 7.605 ( 0.000 -6.893 9.098) 11.415 7.665 ( 0.000 12.645 13.505) 18.501 7.966 ( 0.000 -6.460 1.032) 6.542 8.056 ( 0.000 0.349 0.662) 0.748 8.090 ( 0.000 0.852 -2.662) 2.795 8.365 ( 0.000 11.886 -8.265) 14.477 8.630 ( 0.000 -6.194 -7.391) 9.643 8.939 ( 0.000 -3.313 -2.689) 4.267 8.953 ( 0.000 6.466 19.868) 20.894 9.063 ( 0.000 -1.192 0.965) 1.533 9.133 ( 0.000 11.815 -1.739) 11.942 9.198 ( 0.000 1.177 1.196) 1.678 10.218 ( 0.000 5.999 -18.426) 19.378 10.272 ( 0.000 -17.349 5.733) 18.271 10.765 ( 0.000 5.122 -4.362) 6.728 10.946 ( 0.000 -1.585 7.023) 7.200 11.783 ( 0.000 -5.146 -5.005) 7.179 12.270 ( 0.000 -12.102 -16.815) 20.717 12.345 ( 0.000 2.300 10.438) 10.689 12.459 ( 0.000 2.936 8.174) 8.686 12.581 ( 0.000 -16.356 -19.270) 25.276 13.044 ( 0.000 -3.265 -2.008) 3.833 13.801 ( 0.000 0.557 -8.930) 8.947 13.847 ( 0.000 -3.902 -10.033) 10.765 14.039 ( 0.000 -4.027 -9.387) 10.214 14.073 ( 0.000 -11.951 0.395) 11.958 14.284 ( 0.000 -7.720 -2.929) 8.257 15.008 ( 0.000 6.382 12.781) 14.286 15.093 ( 0.000 7.709 24.275) 25.469 15.304 ( 0.000 25.440 12.521) 28.355 17.206 ( 0.000 -3.331 -10.267) 10.794 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 12.492 14.957 24.099) 30.992 1.756 ( 8.391 14.295 26.852) 31.556 2.954 ( 17.787 14.210 31.335) 38.732 3.079 ( 10.702 -2.895 16.769) 20.103 3.176 ( 8.628 3.868 1.747) 9.616 3.198 ( 3.983 -4.582 4.750) 7.708 3.554 ( 1.101 -14.227 -4.321) 14.909 3.686 ( -8.306 0.761 0.962) 8.396 3.804 ( -6.799 -3.509 -10.164) 12.722 4.020 ( 5.327 -1.315 -0.182) 5.490 4.158 ( 0.537 -2.262 -1.876) 2.987 4.233 ( -2.104 6.894 -2.964) 7.793 4.263 ( -3.627 5.333 -7.491) 9.885 4.470 ( 1.648 -4.608 3.179) 5.836 4.709 ( -12.927 -0.561 -4.118) 13.579 4.880 ( 6.661 11.766 -1.417) 13.594 5.034 ( -2.831 -6.671 -6.213) 9.545 5.262 ( 6.038 -4.950 -4.627) 9.076 5.375 ( 6.550 -5.594 -6.079) 10.542 5.436 ( -4.286 -4.508 -5.213) 8.116 5.770 ( -3.231 3.334 -7.883) 9.149 5.806 ( 2.020 -2.233 -3.126) 4.340 6.013 ( 9.146 11.487 -2.035) 14.824 6.095 ( 2.765 -4.952 -4.822) 7.445 6.474 ( -5.694 10.676 -0.251) 12.102 6.716 ( 3.567 -0.306 2.118) 4.159 6.955 ( -5.643 -0.428 12.168) 13.420 7.196 ( 1.957 4.121 8.799) 9.911 7.359 ( 2.532 -0.698 0.143) 2.630 7.676 ( 2.067 11.987 13.711) 18.329 7.730 ( 9.225 -6.670 7.041) 13.385 7.838 ( -6.831 -4.755 -2.037) 8.569 7.996 ( -6.648 6.078 -2.553) 9.362 8.181 ( 2.921 -3.395 1.025) 4.595 8.280 ( -4.986 10.655 -12.011) 16.812 8.560 ( -2.833 -7.450 -3.229) 8.600 8.898 ( -4.543 -4.853 -2.690) 7.172 8.972 ( -4.751 -2.656 3.155) 6.292 9.032 ( -1.269 15.393 -2.063) 15.582 9.193 ( 0.390 -5.290 -0.006) 5.305 9.351 ( 20.395 11.880 20.346) 31.162 9.821 ( -24.459 2.264 -19.259) 31.214 10.440 ( 3.482 -9.459 0.196) 10.081 10.725 ( -4.357 2.418 -6.576) 8.250 10.948 ( 0.893 -0.998 8.214) 8.322 11.915 ( 10.067 -8.901 0.482) 13.447 12.051 ( -9.054 -5.545 -7.300) 12.884 12.342 ( -2.971 -1.429 1.535) 3.636 12.462 ( -3.407 -10.134 -3.032) 11.113 12.574 ( 4.222 4.706 4.469) 7.742 13.304 ( 18.439 -4.523 -1.651) 19.057 13.729 ( -5.219 -10.599 -10.665) 15.916 13.924 ( 5.099 -3.861 -7.418) 9.795 14.060 ( -1.022 -13.596 2.657) 13.891 14.160 ( 8.546 -1.187 -9.291) 12.680 14.301 ( 1.288 -6.580 -2.709) 7.232 15.010 ( 0.398 6.512 9.526) 11.546 15.066 ( -1.829 8.476 18.829) 20.729 15.277 ( -2.407 25.629 9.556) 27.458 17.068 ( -12.462 -1.558 -11.633) 17.119 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 15.289 11.163 19.270) 27.013 2.088 ( 20.468 14.025 14.751) 28.865 3.109 ( 2.094 -1.972 5.394) 6.113 3.296 ( 4.239 -2.599 7.398) 8.914 3.316 ( 1.455 -0.969 2.717) 3.231 3.429 ( 7.173 2.706 3.080) 8.262 3.557 ( -7.912 -5.289 -6.819) 11.708 3.637 ( -1.167 -9.345 -4.328) 10.364 3.678 ( 16.465 6.484 11.954) 21.356 4.050 ( -6.897 1.326 -3.334) 7.775 4.170 ( 2.561 2.598 -7.515) 8.354 4.259 ( 5.438 1.890 7.618) 9.549 4.279 ( 10.617 4.277 5.603) 12.744 4.512 ( -0.531 -5.527 4.744) 7.303 4.591 ( 4.516 -1.934 2.785) 5.647 4.935 ( -4.369 -6.662 -5.480) 9.669 5.010 ( -0.876 -1.596 -0.288) 1.844 5.246 ( -4.285 -4.901 -5.327) 8.412 5.388 ( 5.936 -7.250 -7.687) 12.120 5.582 ( 6.938 -2.614 -0.226) 7.417 5.652 ( -7.923 8.002 -5.623) 12.587 5.814 ( 1.997 9.770 -4.156) 10.804 6.139 ( 4.121 6.513 -1.045) 7.777 6.244 ( 9.203 0.524 -4.881) 10.430 6.387 ( -3.481 7.755 -4.298) 9.526 6.747 ( -0.357 -1.124 -1.243) 1.713 6.890 ( -0.060 -3.000 5.868) 6.591 7.165 ( -3.787 -1.008 7.252) 8.243 7.455 ( 4.767 4.755 -2.737) 7.268 7.692 ( -4.363 -1.815 -3.359) 5.798 7.737 ( 1.100 11.249 10.300) 15.292 7.839 ( -4.016 3.059 -6.434) 8.178 7.955 ( 5.271 -5.814 3.415) 8.559 8.112 ( -4.955 2.123 -8.500) 10.065 8.201 ( -4.663 5.403 -8.035) 10.747 8.616 ( 5.772 -8.455 6.497) 12.125 8.721 ( -12.144 -2.074 -4.784) 13.216 8.826 ( -10.210 0.695 -4.354) 11.121 8.984 ( -1.970 7.536 -8.719) 11.692 9.184 ( -2.583 -6.150 2.603) 7.160 9.345 ( -17.453 11.601 -18.914) 28.230 9.853 ( 25.951 8.895 28.002) 39.200 10.296 ( -18.292 -6.132 -19.874) 27.698 10.665 ( 0.544 -2.272 -0.303) 2.355 11.054 ( 11.009 -1.211 15.768) 19.269 11.995 ( 5.480 -5.501 8.574) 11.568 12.140 ( -4.997 -11.939 2.596) 13.201 12.173 ( 2.030 -10.989 -2.456) 11.442 12.515 ( 6.164 5.030 9.602) 12.470 12.722 ( 10.818 8.848 8.272) 16.240 13.513 ( -3.654 -9.877 2.211) 10.761 13.666 ( 1.840 -11.081 -1.140) 11.290 14.000 ( 1.741 -7.526 -3.535) 8.495 14.044 ( 0.207 -14.667 1.870) 14.787 14.272 ( 1.113 -1.347 -1.828) 2.529 14.303 ( -2.171 -5.744 1.179) 6.253 15.035 ( 2.311 6.970 1.179) 7.437 15.079 ( 4.882 9.364 1.799) 10.713 15.231 ( -1.415 24.745 0.235) 24.786 16.762 ( -16.792 0.870 -17.043) 23.941 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 17.701 5.536 9.090) 20.654 2.525 ( 21.913 12.666 6.621) 26.162 3.099 ( -1.567 0.416 -0.241) 1.639 3.236 ( -6.890 -4.578 -1.023) 8.335 3.269 ( -10.177 -5.344 -8.178) 14.107 3.361 ( -3.151 4.319 3.293) 6.279 3.493 ( -1.016 6.968 0.538) 7.063 3.723 ( -0.753 -3.142 5.225) 6.143 3.842 ( 1.709 -1.486 -1.433) 2.680 3.926 ( 1.846 -8.100 1.965) 8.536 4.337 ( 2.167 -9.470 0.535) 9.730 4.406 ( 5.914 0.927 13.856) 15.094 4.520 ( 12.389 -1.786 6.390) 14.054 4.631 ( 9.493 -5.134 2.945) 11.187 4.771 ( 15.986 9.319 13.451) 22.876 4.805 ( -5.909 -6.463 2.504) 9.108 4.969 ( 2.556 -4.725 -7.747) 9.427 5.223 ( -1.155 -2.760 -10.431) 10.851 5.425 ( -12.020 12.728 -0.741) 17.523 5.522 ( 7.931 -2.672 -1.262) 8.464 5.652 ( -0.909 -3.083 -1.118) 3.402 6.005 ( 15.298 8.267 -6.638) 18.613 6.203 ( -1.096 1.091 -0.611) 1.663 6.328 ( 3.084 9.001 -5.011) 10.753 6.433 ( 8.118 4.638 -7.430) 11.942 6.725 ( -1.479 0.668 -4.513) 4.796 6.939 ( 3.809 -2.754 -0.775) 4.763 7.056 ( -6.403 1.019 6.064) 8.877 7.450 ( -7.049 -0.589 -10.211) 12.422 7.639 ( -10.193 7.051 -1.692) 12.509 7.681 ( 2.371 -2.570 -4.929) 6.044 7.803 ( 0.044 5.484 -11.701) 12.923 7.920 ( -6.005 -3.502 -2.370) 7.345 8.071 ( -4.280 10.421 -11.130) 15.837 8.132 ( -0.501 -2.210 5.299) 5.764 8.400 ( -15.951 -2.901 -3.622) 16.612 8.578 ( -7.788 8.051 -7.491) 13.475 8.778 ( 6.275 -6.815 5.396) 10.721 8.980 ( -3.398 3.123 -8.896) 10.022 9.091 ( 1.634 11.684 -14.379) 18.600 9.183 ( -3.899 -6.151 7.361) 10.355 9.867 ( -20.963 -5.147 -28.696) 35.908 10.352 ( 21.658 6.318 26.609) 34.886 10.701 ( 2.357 -0.501 1.297) 2.736 11.382 ( 20.317 -3.123 23.744) 31.405 11.920 ( -7.122 -5.759 -2.551) 9.508 12.175 ( 5.020 -6.467 21.682) 23.176 12.226 ( -1.669 -8.879 19.937) 21.888 12.658 ( 8.382 -1.303 5.609) 10.170 13.025 ( 18.329 8.550 8.733) 22.030 13.336 ( -11.028 -14.754 -4.130) 18.877 13.631 ( -4.262 -5.335 17.024) 18.342 13.981 ( -4.545 -6.726 1.901) 8.337 14.069 ( 1.547 -12.723 0.253) 12.819 14.168 ( -10.510 -2.542 7.846) 13.360 14.222 ( -5.291 -5.040 4.350) 8.505 15.104 ( 4.173 8.203 -7.923) 12.144 15.227 ( 0.720 20.307 -10.432) 22.842 15.296 ( 15.713 7.328 -15.871) 23.505 16.412 ( -17.735 2.235 -23.010) 29.137 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 16.445 0.561 0.703) 16.470 2.918 ( 12.283 6.468 3.497) 14.315 3.004 ( -10.955 -1.010 -6.636) 12.848 3.106 ( -3.053 -0.691 -5.224) 6.090 3.118 ( 2.061 3.262 -3.439) 5.168 3.303 ( -6.699 5.791 -0.057) 8.855 3.448 ( -1.104 5.172 4.344) 6.843 3.521 ( -9.505 8.638 -1.318) 12.911 3.996 ( 5.396 -13.949 9.609) 17.777 4.029 ( 5.454 -17.303 9.102) 20.297 4.289 ( 0.218 -9.144 9.708) 13.339 4.430 ( -7.789 -8.811 11.798) 16.658 4.635 ( 5.086 1.203 6.798) 8.575 4.727 ( -2.514 -4.619 4.568) 6.965 4.812 ( 10.037 3.484 1.810) 10.777 4.948 ( -0.531 1.163 -2.866) 3.139 5.154 ( -0.642 3.286 -6.736) 7.522 5.210 ( -6.707 6.116 -7.424) 11.726 5.337 ( 17.595 4.997 1.264) 18.334 5.574 ( -6.651 -0.448 -0.690) 6.702 5.736 ( 13.829 -2.410 1.249) 14.093 6.031 ( -12.267 1.775 0.242) 12.397 6.359 ( 13.048 7.117 -8.036) 16.896 6.460 ( 5.249 2.661 -5.157) 7.825 6.613 ( 9.595 5.910 -3.758) 11.879 6.739 ( 7.693 2.927 -8.466) 11.808 6.843 ( -10.453 4.217 -2.005) 11.449 7.070 ( -8.851 -2.997 -9.397) 13.252 7.179 ( -3.109 1.400 -6.238) 7.109 7.398 ( -12.969 0.116 -7.358) 14.911 7.713 ( 2.534 -6.857 -10.586) 12.865 7.816 ( -4.317 5.393 -15.041) 16.551 7.866 ( 3.227 2.817 -0.321) 4.295 7.943 ( -5.071 8.596 -14.573) 17.663 8.106 ( -1.516 -2.262 6.966) 7.480 8.150 ( -7.176 -1.666 -0.979) 7.432 8.598 ( 7.359 14.162 -2.132) 16.102 8.773 ( -8.156 11.970 -3.694) 14.948 8.966 ( 5.685 -2.778 8.458) 10.563 9.088 ( -5.515 -7.233 10.176) 13.649 9.247 ( 10.472 -3.252 -23.150) 25.616 9.501 ( -15.052 -4.862 -28.424) 32.529 10.671 ( 9.056 3.659 15.794) 18.570 10.740 ( 0.654 1.558 4.736) 5.028 11.819 ( 21.171 -4.476 29.067) 36.237 11.888 ( 4.845 -3.100 12.404) 13.673 12.060 ( -10.363 -4.529 23.410) 25.998 12.166 ( -10.221 -5.145 29.522) 31.662 12.857 ( 11.070 -9.784 0.174) 14.775 13.097 ( -12.305 -13.934 -3.528) 18.921 13.417 ( 19.563 6.104 10.564) 23.055 13.643 ( 7.505 -2.822 15.012) 17.019 13.778 ( -15.097 1.495 9.418) 17.856 13.894 ( -14.927 -2.717 11.880) 19.270 14.103 ( 1.471 -11.317 0.519) 11.424 14.139 ( -2.515 -9.660 1.699) 10.126 15.186 ( 3.514 10.766 -13.701) 17.776 15.231 ( -0.824 14.849 -14.860) 21.023 15.660 ( 19.198 4.790 -23.553) 30.762 16.045 ( -18.676 3.276 -25.407) 31.702 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 21.556 17.600) 27.828 1.999 ( 0.000 20.021 22.256) 29.936 2.902 ( 0.000 -3.731 14.031) 14.519 3.028 ( 0.000 -7.044 7.810) 10.518 3.043 ( 0.000 -6.902 2.832) 7.460 3.208 ( 0.000 -18.838 -2.803) 19.045 3.268 ( 0.000 29.634 27.411) 40.368 3.699 ( 0.000 -9.676 -7.565) 12.282 3.732 ( 0.000 -6.671 -5.710) 8.781 4.027 ( 0.000 10.940 7.735) 13.398 4.127 ( 0.000 -2.309 -5.378) 5.853 4.269 ( 0.000 0.710 2.296) 2.404 4.520 ( 0.000 7.031 0.005) 7.031 4.529 ( 0.000 7.528 -13.371) 15.344 4.902 ( 0.000 -6.034 -5.735) 8.325 4.920 ( 0.000 1.163 0.736) 1.376 5.059 ( 0.000 2.855 -7.192) 7.738 5.111 ( 0.000 -2.970 -5.548) 6.292 5.156 ( 0.000 1.396 -13.260) 13.333 5.453 ( 0.000 -3.258 -7.311) 8.004 5.530 ( 0.000 -11.070 3.171) 11.515 5.733 ( 0.000 -10.925 -5.836) 12.386 5.995 ( 0.000 5.958 -3.979) 7.165 6.316 ( 0.000 16.891 3.860) 17.327 6.547 ( 0.000 -3.857 6.888) 7.894 6.793 ( 0.000 8.219 1.111) 8.294 7.214 ( 0.000 5.558 4.597) 7.213 7.230 ( 0.000 0.928 1.948) 2.158 7.298 ( 0.000 7.888 6.021) 9.924 7.451 ( 0.000 -8.188 5.642) 9.943 7.833 ( 0.000 -1.736 0.774) 1.901 8.009 ( 0.000 19.348 14.924) 24.435 8.028 ( 0.000 -0.335 -0.812) 0.878 8.145 ( 0.000 1.481 -0.473) 1.555 8.477 ( 0.000 -9.369 -8.355) 12.553 8.572 ( 0.000 8.809 -12.638) 15.405 8.847 ( 0.000 -4.048 -0.084) 4.049 8.920 ( 0.000 -6.137 3.933) 7.289 9.084 ( 0.000 -0.752 -3.196) 3.284 9.337 ( 0.000 13.391 19.517) 23.670 9.366 ( 0.000 7.400 5.966) 9.506 9.944 ( 0.000 -15.586 7.486) 17.291 10.359 ( 0.000 8.581 -14.711) 17.031 10.769 ( 0.000 -3.286 -3.635) 4.900 10.886 ( 0.000 -5.039 9.209) 10.498 11.730 ( 0.000 1.845 -9.912) 10.082 11.854 ( 0.000 -29.995 -9.412) 31.437 12.305 ( 0.000 -12.723 -19.132) 22.976 12.415 ( 0.000 4.817 10.215) 11.294 12.554 ( 0.000 5.775 5.511) 7.983 12.995 ( 0.000 -0.436 1.271) 1.344 13.709 ( 0.000 -14.798 2.458) 15.001 13.813 ( 0.000 0.589 -10.529) 10.545 13.853 ( 0.000 -4.864 -10.964) 11.995 14.012 ( 0.000 -0.628 -10.703) 10.721 14.144 ( 0.000 -6.466 -6.491) 9.162 15.148 ( 0.000 7.630 13.864) 15.825 15.230 ( 0.000 5.996 20.481) 21.341 15.834 ( 0.000 29.374 6.547) 30.095 17.073 ( 0.000 -11.379 -6.997) 13.358 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 10.954 19.754 15.841) 27.589 2.083 ( 7.688 20.495 20.354) 29.891 3.001 ( 6.011 -3.577 10.434) 12.562 3.047 ( 5.154 -6.477 8.910) 12.161 3.160 ( 10.461 -7.622 0.991) 12.981 3.228 ( 1.416 -17.304 -2.315) 17.516 3.350 ( 4.581 15.843 20.092) 25.994 3.696 ( 3.570 4.727 -3.072) 6.672 3.766 ( 2.028 -6.556 -7.886) 10.454 3.991 ( -5.984 4.960 4.053) 8.766 4.152 ( 4.147 1.145 -2.563) 5.008 4.243 ( -2.251 -1.239 2.771) 3.779 4.457 ( -5.249 6.571 -5.588) 10.098 4.493 ( -0.212 7.482 2.761) 7.978 4.699 ( -13.220 -0.300 -6.107) 14.566 4.871 ( -4.111 -6.697 -5.889) 9.820 5.046 ( -2.928 0.028 -1.925) 3.504 5.141 ( 1.036 -8.247 -11.646) 14.308 5.259 ( 4.565 -0.364 -4.981) 6.766 5.395 ( 2.830 -0.859 -0.646) 3.027 5.725 ( 9.506 -4.493 -3.907) 11.216 5.810 ( 7.248 -3.394 -6.198) 10.123 5.998 ( 1.280 1.801 -3.554) 4.185 6.344 ( 2.719 13.562 4.704) 14.610 6.607 ( 4.757 0.114 2.729) 5.485 6.735 ( -4.733 8.754 0.320) 9.956 7.038 ( -9.909 9.144 8.457) 15.916 7.176 ( -4.308 -5.686 2.228) 7.473 7.436 ( 7.387 4.808 1.728) 8.981 7.550 ( 7.125 -8.735 4.750) 12.232 7.760 ( -5.004 -1.546 -3.548) 6.326 8.011 ( 0.881 17.301 12.800) 21.540 8.089 ( -2.790 3.270 -1.868) 4.687 8.149 ( 5.711 3.530 2.512) 7.168 8.380 ( -7.483 -6.326 -4.795) 10.909 8.519 ( -3.509 9.883 -12.548) 16.354 8.787 ( -2.624 -6.663 -1.004) 7.231 8.860 ( -5.612 -6.923 -1.012) 8.969 9.070 ( -4.620 -6.742 -2.226) 8.471 9.404 ( 6.017 18.905 6.363) 20.835 9.593 ( 18.090 12.519 20.308) 29.940 9.771 ( -14.173 -8.875 -4.659) 17.359 10.326 ( -3.098 -0.963 -7.475) 8.149 10.694 ( -8.165 -5.350 -8.225) 12.765 10.920 ( 3.172 -2.058 9.944) 10.639 11.760 ( 1.708 -9.304 -1.575) 9.589 11.805 ( -1.129 -18.140 -6.299) 19.236 12.116 ( -9.639 -12.287 -8.957) 18.003 12.511 ( 8.011 8.321 8.521) 14.354 12.702 ( 8.157 8.260 5.019) 12.647 13.194 ( 15.982 -6.366 0.173) 17.204 13.595 ( -10.672 -4.383 -10.499) 15.599 13.743 ( -1.435 -15.592 2.982) 15.939 13.825 ( -2.865 -8.566 -7.065) 11.468 14.146 ( 7.863 -0.232 -8.484) 11.570 14.210 ( 4.456 -3.023 -5.910) 7.995 15.151 ( 0.557 7.624 10.412) 12.916 15.216 ( -0.707 6.604 15.633) 16.986 15.803 ( -2.860 28.879 3.771) 29.264 16.971 ( -9.416 -9.385 -9.148) 16.138 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 11.069 18.183 15.246) 26.184 2.369 ( 17.224 15.394 12.780) 26.400 3.066 ( 3.035 -3.381 4.961) 6.727 3.186 ( 0.186 -9.714 6.362) 11.613 3.281 ( 4.448 -6.448 1.132) 7.915 3.344 ( 2.836 -5.138 -0.111) 5.870 3.418 ( 8.954 -4.771 7.110) 12.389 3.680 ( -8.287 7.333 -11.336) 15.841 3.886 ( 5.757 7.039 0.778) 9.127 3.923 ( -0.630 -3.098 1.719) 3.598 4.182 ( -0.459 -5.128 -6.772) 8.506 4.254 ( 8.434 1.499 11.038) 13.972 4.426 ( -0.488 9.949 -6.514) 11.902 4.482 ( -4.707 -0.787 0.176) 4.775 4.589 ( 8.720 0.148 11.831) 14.698 4.802 ( -1.022 -2.207 -2.299) 3.347 4.893 ( -8.181 -8.985 -3.266) 12.583 5.146 ( 0.118 -8.568 -14.977) 17.255 5.384 ( 6.801 5.811 1.244) 9.032 5.522 ( 5.365 -2.798 1.914) 6.346 5.755 ( -1.774 3.247 -4.422) 5.766 5.989 ( 5.445 9.148 -4.485) 11.553 6.078 ( 7.079 -7.154 -5.554) 11.495 6.435 ( 6.330 8.494 5.090) 11.753 6.599 ( -5.054 12.692 -5.727) 14.813 6.735 ( 3.822 2.729 -0.675) 4.744 6.885 ( -3.781 4.490 6.975) 9.116 7.095 ( -3.426 -5.783 3.129) 7.414 7.538 ( 0.008 -2.059 -6.759) 7.065 7.592 ( -3.170 -6.891 -0.395) 7.595 7.729 ( 2.852 -2.775 2.192) 4.543 8.009 ( -4.986 13.725 5.545) 15.620 8.042 ( 0.683 3.497 -4.977) 6.121 8.149 ( -1.720 8.399 -2.220) 8.856 8.324 ( -2.590 -0.000 -5.592) 6.162 8.520 ( 5.757 5.374 0.077) 7.876 8.668 ( -9.712 -3.178 -2.505) 10.521 8.752 ( -4.212 -5.576 -7.396) 10.175 8.969 ( -5.530 -10.728 0.959) 12.107 9.276 ( -15.637 14.211 -9.858) 23.316 9.612 ( -1.309 14.651 -5.160) 15.588 10.033 ( 21.043 8.413 24.386) 33.291 10.155 ( -14.562 -6.636 -16.282) 22.830 10.548 ( -1.716 -10.633 -1.467) 10.870 11.034 ( 9.322 -0.816 14.522) 17.276 11.761 ( -1.134 -20.902 -0.647) 20.942 11.877 ( 4.634 -10.205 6.914) 13.169 12.013 ( 0.813 -7.206 3.188) 7.921 12.673 ( 6.862 11.245 9.683) 16.349 12.888 ( 11.116 9.074 8.204) 16.529 13.354 ( -10.534 -4.417 -7.845) 13.857 13.476 ( 6.761 -10.363 6.253) 13.863 13.732 ( 0.953 -17.225 3.908) 17.688 13.773 ( -2.136 -14.719 -3.679) 15.321 14.233 ( -0.158 -1.097 -0.752) 1.339 14.260 ( -0.351 -1.000 -1.000) 1.457 15.184 ( 3.094 8.003 1.481) 8.707 15.244 ( 4.625 7.272 1.713) 8.787 15.731 ( -4.004 26.896 -3.643) 27.435 16.726 ( -14.184 -5.657 -14.749) 21.230 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 11.962 12.906 9.975) 20.227 2.728 ( 17.152 8.427 9.205) 21.212 3.121 ( 0.566 -2.539 1.232) 2.878 3.132 ( -3.081 -4.877 3.385) 6.688 3.216 ( -4.768 3.553 -2.931) 6.630 3.443 ( -4.828 -3.586 3.127) 6.779 3.490 ( 3.539 -6.945 3.566) 8.572 3.629 ( 4.199 1.752 2.060) 4.994 3.851 ( -2.784 6.268 -0.311) 6.866 3.861 ( -7.197 -7.774 0.199) 10.596 4.239 ( 1.974 -4.760 -7.941) 9.466 4.278 ( -5.278 -4.701 -1.859) 7.308 4.484 ( 6.420 -2.562 3.628) 7.806 4.593 ( 6.205 1.951 2.410) 6.937 4.701 ( 5.575 -0.283 6.196) 8.339 4.836 ( 3.806 -6.166 -2.868) 7.793 4.999 ( 18.280 4.333 5.054) 19.454 5.151 ( 1.512 -4.700 -11.159) 12.203 5.490 ( 3.400 0.364 1.842) 3.884 5.539 ( -4.678 -0.090 -2.201) 5.171 5.708 ( -0.718 8.846 3.006) 9.371 6.141 ( 10.960 3.181 -8.533) 14.249 6.208 ( 4.810 1.762 -1.473) 5.331 6.494 ( -4.533 9.404 -7.171) 12.665 6.584 ( 7.609 6.342 3.048) 10.364 6.779 ( 1.675 6.943 -5.587) 9.068 6.896 ( 2.097 -0.449 -0.322) 2.169 7.048 ( -0.729 -1.460 2.453) 2.946 7.397 ( -10.549 -6.925 -8.907) 15.445 7.536 ( -3.651 -11.218 -9.461) 15.122 7.769 ( -6.615 3.954 1.181) 7.797 7.854 ( -1.895 9.377 4.058) 10.392 8.070 ( 0.829 11.189 -10.549) 15.400 8.130 ( -3.732 3.040 -1.854) 5.158 8.207 ( -8.046 -1.755 -4.163) 9.227 8.436 ( -10.625 7.855 -9.295) 16.155 8.641 ( 2.325 -4.763 2.257) 5.761 8.737 ( 4.218 5.864 -0.621) 7.250 8.874 ( -0.472 -9.873 -8.515) 13.046 9.056 ( -5.828 0.311 -1.011) 5.924 9.544 ( -5.738 27.855 -5.784) 29.022 9.748 ( -19.086 -6.227 -25.870) 32.746 10.475 ( 18.036 5.320 22.920) 29.646 10.606 ( 5.343 -11.797 3.289) 13.362 11.313 ( 17.800 -3.597 21.823) 28.390 11.703 ( -2.308 -17.465 3.056) 17.880 11.944 ( 0.969 -11.823 13.872) 18.252 12.096 ( 3.485 -6.977 17.360) 19.031 12.762 ( 2.379 10.489 10.129) 14.774 13.131 ( -10.074 -4.132 -7.339) 13.131 13.167 ( 15.613 6.630 9.959) 19.670 13.506 ( -1.100 -8.101 17.007) 18.870 13.730 ( -2.301 -17.637 -1.122) 17.822 13.789 ( 3.278 -15.947 2.224) 16.432 14.134 ( -9.355 -0.334 7.031) 11.707 14.178 ( -7.558 -1.248 5.731) 9.567 15.281 ( 6.265 9.663 -8.424) 14.269 15.427 ( 13.207 5.707 -13.257) 19.564 15.648 ( -4.298 22.787 -11.688) 25.967 16.419 ( -15.935 -2.448 -20.406) 26.006 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 11.787 6.812 5.094) 14.535 2.981 ( -8.350 0.444 1.072) 8.430 2.988 ( 5.042 2.969 6.784) 8.959 3.079 ( -4.084 -0.004 -1.522) 4.359 3.268 ( 9.914 5.672 -3.108) 11.837 3.410 ( 0.711 0.020 4.962) 5.013 3.475 ( -2.602 -4.922 4.477) 7.144 3.587 ( -10.622 -4.705 8.232) 14.238 3.776 ( 3.080 -4.197 -1.504) 5.419 3.841 ( -1.468 0.823 2.375) 2.911 4.179 ( 0.870 -0.768 -2.024) 2.333 4.257 ( -4.058 -8.115 3.106) 9.590 4.572 ( 3.631 -4.310 -0.874) 5.703 4.618 ( -0.857 -3.506 1.062) 3.762 4.874 ( 7.643 -0.407 0.281) 7.659 4.945 ( 2.200 -1.761 0.020) 2.818 5.152 ( 5.557 -1.366 -9.260) 10.886 5.325 ( -5.426 5.420 0.138) 7.670 5.429 ( 5.967 -0.096 -1.123) 6.072 5.519 ( -1.249 -4.204 1.712) 4.708 5.820 ( 13.569 11.607 2.654) 18.052 6.137 ( -13.015 9.419 -0.189) 16.067 6.393 ( 11.389 -3.279 -10.845) 16.064 6.494 ( 2.428 1.425 -2.475) 3.749 6.746 ( 9.979 4.738 0.065) 11.047 6.819 ( 1.903 5.858 -9.079) 10.971 6.875 ( -2.889 -0.831 -9.160) 9.641 7.047 ( -11.830 -0.112 -7.623) 14.074 7.189 ( 4.182 0.678 -2.826) 5.092 7.456 ( -16.814 5.839 -2.857) 18.027 7.574 ( 7.782 -7.615 -6.976) 12.931 7.825 ( -14.200 -2.235 -3.635) 14.828 7.988 ( 4.607 5.324 2.796) 7.575 8.099 ( -4.954 4.792 0.778) 6.937 8.134 ( 4.274 10.296 -10.415) 15.257 8.257 ( -7.671 13.212 -15.598) 21.834 8.708 ( 5.188 -9.686 3.997) 11.693 8.795 ( -1.589 -5.753 5.013) 7.795 8.947 ( 5.144 -7.638 -11.331) 14.601 9.001 ( -0.449 3.009 -0.215) 3.050 9.418 ( -4.656 21.117 -12.932) 25.196 9.456 ( -8.748 8.599 -19.083) 22.686 10.706 ( 4.585 -6.074 6.600) 10.073 10.718 ( 4.331 -2.836 10.300) 11.528 11.704 ( 18.845 -7.288 25.667) 32.665 11.737 ( 6.081 -12.523 15.881) 21.119 11.890 ( -5.848 -11.070 20.880) 24.346 12.036 ( -10.393 -8.337 26.098) 29.303 12.813 ( 3.835 5.672 3.169) 7.545 12.937 ( -8.266 -0.571 -3.624) 9.044 13.512 ( 15.380 3.618 11.597) 19.600 13.549 ( 7.843 -7.671 12.577) 16.689 13.662 ( -4.813 -14.499 3.769) 15.735 13.849 ( -1.797 -8.067 5.811) 10.103 13.883 ( -9.636 -3.202 9.306) 13.774 13.995 ( -9.039 -4.529 7.497) 12.587 15.420 ( 7.037 12.960 -14.587) 20.743 15.550 ( -5.609 17.599 -15.715) 24.251 15.741 ( 16.962 2.884 -20.950) 27.110 16.087 ( -16.953 0.219 -22.839) 28.444 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 0.000 22.927 10.756) 25.325 2.390 ( 0.000 20.991 13.869) 25.159 2.748 ( 0.000 -15.389 6.902) 16.866 2.799 ( 0.000 -20.876 8.867) 22.681 2.917 ( 0.000 -2.040 9.116) 9.342 2.948 ( 0.000 -5.052 2.283) 5.544 3.567 ( 0.000 -0.849 1.440) 1.671 3.573 ( 0.000 -3.294 -4.112) 5.269 3.836 ( 0.000 18.001 2.893) 18.232 4.055 ( 0.000 -6.150 -5.855) 8.491 4.225 ( 0.000 9.086 11.983) 15.038 4.301 ( 0.000 1.416 11.384) 11.472 4.580 ( 0.000 0.428 -1.108) 1.188 4.620 ( 0.000 -0.036 -9.493) 9.493 4.856 ( 0.000 -2.570 -5.496) 6.067 4.857 ( 0.000 0.162 -9.852) 9.853 5.058 ( 0.000 0.437 -2.393) 2.433 5.127 ( 0.000 -1.537 -1.918) 2.457 5.227 ( 0.000 5.246 -14.538) 15.455 5.344 ( 0.000 -7.733 -4.198) 8.800 5.414 ( 0.000 1.738 -5.092) 5.380 5.537 ( 0.000 -9.443 -3.629) 10.116 6.131 ( 0.000 7.693 3.791) 8.576 6.283 ( 0.000 -8.827 11.026) 14.124 6.792 ( 0.000 18.872 3.133) 19.130 6.936 ( 0.000 6.869 3.896) 7.897 7.113 ( 0.000 -7.606 -1.823) 7.821 7.134 ( 0.000 -12.588 0.514) 12.599 7.439 ( 0.000 4.696 1.234) 4.856 7.476 ( 0.000 2.978 0.628) 3.043 7.886 ( 0.000 9.238 -2.574) 9.590 8.072 ( 0.000 0.449 -1.027) 1.121 8.089 ( 0.000 -3.006 -4.920) 5.766 8.227 ( 0.000 -7.435 -2.772) 7.935 8.529 ( 0.000 24.138 13.055) 27.442 8.683 ( 0.000 4.873 -9.927) 11.058 8.795 ( 0.000 -6.786 -1.981) 7.069 8.824 ( 0.000 -1.924 3.698) 4.168 9.053 ( 0.000 -1.002 0.147) 1.013 9.211 ( 0.000 -19.146 15.130) 24.402 9.602 ( 0.000 13.561 19.480) 23.736 9.789 ( 0.000 -5.530 10.680) 12.027 10.522 ( 0.000 8.670 -10.475) 13.598 10.673 ( 0.000 -7.140 -6.291) 9.516 10.892 ( 0.000 10.577 5.543) 11.941 11.283 ( 0.000 -28.554 -2.373) 28.652 11.855 ( 0.000 10.288 -15.931) 18.964 12.073 ( 0.000 -12.394 -18.422) 22.204 12.514 ( 0.000 5.485 7.105) 8.976 12.595 ( 0.000 -2.084 4.479) 4.940 13.097 ( 0.000 11.778 5.137) 12.849 13.384 ( 0.000 -17.692 6.140) 18.727 13.820 ( 0.000 0.200 -12.573) 12.575 13.823 ( 0.000 -0.276 -14.349) 14.352 14.015 ( 0.000 0.947 -10.532) 10.574 14.053 ( 0.000 -3.330 -9.559) 10.122 15.264 ( 0.000 4.319 15.544) 16.132 15.297 ( 0.000 0.968 17.707) 17.733 16.356 ( 0.000 25.928 1.774) 25.989 16.783 ( 0.000 -19.520 -2.655) 19.700 ======================= Grid point 154 (57/100) ======================= q-point: ( 0.11 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 6.520 20.206 7.072) 22.378 2.495 ( 8.482 21.951 15.690) 28.283 2.829 ( 4.902 -19.677 1.851) 20.363 2.866 ( 6.510 -15.090 12.729) 20.787 2.973 ( 6.202 -0.751 7.924) 10.091 3.022 ( 8.129 -6.538 3.936) 11.149 3.496 ( -3.539 4.094 0.070) 5.412 3.603 ( 1.175 -7.723 -3.821) 8.696 3.941 ( 6.634 12.972 -1.465) 14.644 4.062 ( -1.443 -0.963 -4.358) 4.690 4.227 ( 2.069 5.276 8.646) 10.338 4.271 ( -1.744 4.619 9.858) 11.025 4.460 ( -7.621 -1.074 1.393) 7.821 4.562 ( -7.505 -5.067 -3.844) 9.837 4.769 ( -4.425 8.337 -10.616) 14.205 4.825 ( -3.075 1.128 -6.359) 7.153 4.943 ( -10.847 -5.483 -5.357) 13.282 4.988 ( -3.936 -8.094 -12.573) 15.463 5.330 ( 9.343 4.793 -1.234) 10.573 5.398 ( 4.007 -0.702 2.367) 4.706 5.652 ( 15.246 -1.905 -3.818) 15.831 5.697 ( 10.536 -5.596 -5.650) 13.201 6.119 ( -0.300 8.595 2.818) 9.050 6.295 ( 1.632 -9.924 9.534) 13.858 6.825 ( 2.087 14.735 2.706) 15.126 6.910 ( -1.864 9.862 1.571) 10.159 7.044 ( -4.079 -7.181 -1.431) 8.381 7.142 ( -3.795 -5.510 0.224) 6.694 7.397 ( -0.086 2.998 0.328) 3.017 7.502 ( 0.368 -3.886 1.813) 4.304 7.811 ( -3.487 7.388 -3.190) 8.770 7.987 ( -4.390 -9.522 -3.868) 11.176 8.184 ( 5.456 5.940 -1.805) 8.265 8.290 ( 0.405 -3.253 -2.855) 4.347 8.515 ( -0.795 21.848 8.286) 23.380 8.657 ( -1.681 2.016 -5.659) 6.239 8.706 ( -6.394 -1.631 3.197) 7.333 8.740 ( -5.436 -4.882 -6.956) 10.088 9.000 ( -4.159 3.735 1.477) 5.782 9.324 ( 7.395 -23.486 10.885) 26.921 9.781 ( 11.260 10.265 16.501) 22.460 9.824 ( 5.918 6.538 11.618) 14.586 10.379 ( -10.878 5.787 -10.529) 16.207 10.541 ( -12.296 -10.190 -10.616) 19.176 10.960 ( 4.583 9.649 5.917) 12.212 11.301 ( 1.690 -25.187 -0.168) 25.244 11.795 ( -2.678 5.409 -6.757) 9.060 11.932 ( -7.336 -8.605 -7.966) 13.832 12.679 ( 12.520 9.021 5.029) 16.230 12.800 ( 13.515 -1.294 2.491) 13.804 13.158 ( 6.135 6.075 5.423) 10.195 13.391 ( 0.652 -15.917 6.678) 17.274 13.619 ( -12.463 1.592 -12.723) 17.881 13.692 ( -9.435 -5.724 -10.637) 15.327 14.151 ( 7.370 0.738 -8.069) 10.953 14.171 ( 6.600 -1.429 -7.517) 10.105 15.266 ( 0.468 4.134 11.747) 12.461 15.293 ( 0.061 1.358 13.434) 13.503 16.311 ( -4.285 24.925 -0.833) 25.304 16.714 ( -6.486 -18.016 -5.135) 19.825 ======================= Grid point 155 (58/100) ======================= q-point: ( 0.22 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 8.873 16.196 3.977) 18.891 2.678 ( 9.226 17.212 15.861) 25.158 2.926 ( 4.465 -15.239 1.875) 15.990 2.965 ( 4.287 -8.747 12.178) 15.595 3.171 ( 10.142 -2.255 8.160) 13.211 3.230 ( 9.183 -8.774 5.916) 14.011 3.447 ( -1.259 8.192 -1.639) 8.448 3.643 ( 2.557 -11.847 -4.399) 12.894 3.868 ( -8.843 8.634 -6.666) 14.042 4.034 ( -4.239 -8.358 -5.888) 11.067 4.189 ( -7.443 11.450 -3.813) 14.179 4.350 ( 2.774 2.714 3.969) 5.551 4.386 ( 3.307 -1.815 2.720) 4.651 4.507 ( 8.390 -2.325 6.929) 11.127 4.700 ( -2.138 8.340 -4.587) 9.755 4.760 ( -5.236 -3.583 -2.679) 6.887 4.810 ( 2.094 1.789 -5.091) 5.788 4.965 ( 0.573 -10.497 -13.713) 17.279 5.483 ( 4.459 3.546 1.040) 5.791 5.504 ( 5.399 0.416 2.748) 6.072 5.813 ( 4.168 4.254 -1.536) 6.150 5.932 ( 8.171 -7.894 -2.565) 11.647 6.171 ( 6.638 10.560 1.124) 12.524 6.374 ( 6.402 -10.159 8.139) 14.506 6.803 ( -3.269 9.287 -5.472) 11.264 6.926 ( 1.567 12.326 -0.708) 12.446 6.962 ( -2.195 -7.458 -1.629) 7.943 7.024 ( -5.263 4.816 5.202) 8.830 7.390 ( -3.502 -5.370 -5.445) 8.411 7.455 ( -5.640 -8.540 -3.318) 10.759 7.807 ( 3.384 7.807 2.073) 8.758 7.978 ( 3.783 -9.035 -0.853) 9.832 8.206 ( -4.656 7.444 -2.674) 9.178 8.247 ( -1.681 1.990 -3.360) 4.251 8.436 ( -7.478 11.065 -7.127) 15.138 8.590 ( -6.531 -1.586 -1.393) 6.864 8.621 ( -4.316 -5.603 -7.250) 10.128 8.656 ( -0.422 -7.531 4.538) 8.803 8.968 ( 1.457 19.410 0.398) 19.468 9.345 ( -7.652 -12.392 -7.344) 16.311 9.845 ( 3.239 12.667 4.967) 13.987 10.044 ( -5.579 -4.288 -2.019) 7.321 10.218 ( 7.099 6.724 7.311) 12.209 10.332 ( -3.887 -8.687 -2.599) 9.866 11.059 ( 6.447 5.938 10.699) 13.831 11.328 ( 0.644 -21.887 2.490) 22.038 11.805 ( 2.921 1.712 4.110) 5.325 11.889 ( 2.606 -6.131 4.627) 8.111 12.903 ( 8.356 12.450 7.794) 16.899 13.034 ( 10.349 3.159 6.545) 12.646 13.302 ( 5.760 -4.479 9.294) 11.816 13.360 ( -8.894 3.342 -7.217) 11.931 13.439 ( 0.648 -12.415 4.534) 13.233 13.522 ( -6.919 -11.262 -7.144) 15.025 14.230 ( -0.150 0.445 -1.020) 1.123 14.243 ( -0.164 -0.857 -1.107) 1.409 15.304 ( 3.835 4.222 1.679) 5.946 15.329 ( 4.344 1.648 1.731) 4.958 16.193 ( -7.066 22.105 -7.351) 24.343 16.538 ( -10.590 -14.493 -11.171) 21.142 ======================= Grid point 156 (59/100) ======================= q-point: ( 0.33 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 7.577 13.676 6.512) 16.937 2.869 ( 9.586 6.926 9.576) 15.217 3.005 ( 3.497 -6.486 4.133) 8.449 3.059 ( 4.473 -6.165 13.500) 15.501 3.266 ( -1.207 -2.620 6.650) 7.249 3.320 ( 0.468 -6.745 4.873) 8.334 3.406 ( -4.023 6.158 -0.274) 7.361 3.608 ( -7.951 -13.079 2.322) 15.482 3.784 ( 2.490 11.264 -9.050) 14.662 4.016 ( 3.823 -12.499 -7.797) 15.219 4.068 ( -4.322 10.830 -1.939) 11.820 4.239 ( -5.158 -6.654 -6.064) 10.376 4.537 ( 2.377 7.925 -2.221) 8.567 4.670 ( 2.753 -1.192 1.615) 3.407 4.731 ( -0.080 2.386 -2.891) 3.749 4.772 ( 12.108 4.125 6.070) 14.159 4.943 ( 8.219 -4.723 -6.773) 11.651 5.032 ( 9.941 -9.154 -4.631) 14.285 5.526 ( -0.128 2.261 1.590) 2.767 5.545 ( -2.134 0.197 -0.992) 2.361 5.887 ( 4.797 10.019 -0.563) 11.123 6.059 ( 7.066 -7.936 -7.048) 12.750 6.347 ( 8.428 9.621 3.138) 13.169 6.517 ( 5.477 -7.190 6.047) 10.874 6.729 ( -3.612 10.457 -8.852) 14.169 6.872 ( -3.640 -2.796 -7.487) 8.782 6.985 ( 1.376 9.297 2.384) 9.696 7.044 ( 6.703 2.191 2.869) 7.613 7.240 ( -10.229 -6.563 -6.734) 13.895 7.313 ( -5.266 -11.650 -7.498) 14.821 7.876 ( -2.444 8.269 1.444) 8.742 8.030 ( -7.578 -0.522 -1.204) 7.691 8.100 ( -0.980 0.132 0.351) 1.049 8.154 ( -3.006 0.497 -3.175) 4.400 8.318 ( -1.454 11.862 -8.511) 14.672 8.461 ( -4.634 -0.978 0.201) 4.740 8.594 ( 0.206 -5.372 -10.357) 11.669 8.618 ( -1.394 -12.622 2.930) 13.032 8.935 ( -8.341 14.866 -14.196) 22.183 9.132 ( -9.711 -1.902 -13.231) 16.522 9.766 ( -5.034 13.105 -10.328) 17.428 10.023 ( 4.216 12.804 3.719) 13.984 10.280 ( 0.453 -11.545 0.476) 11.563 10.477 ( 8.512 -8.500 13.406) 18.012 11.266 ( 14.114 -0.668 19.530) 24.106 11.369 ( 5.190 -13.796 11.074) 18.437 11.851 ( 0.168 1.780 11.769) 11.904 11.954 ( 1.304 -7.666 14.164) 16.158 13.002 ( 1.760 14.434 9.585) 17.416 13.180 ( -7.053 7.836 -5.449) 11.868 13.243 ( 8.399 -4.816 10.658) 14.399 13.370 ( 4.143 0.161 12.858) 13.510 13.410 ( -3.999 -15.202 -3.318) 16.066 13.520 ( 5.809 -12.019 7.118) 15.129 14.140 ( -8.537 0.749 6.378) 10.683 14.157 ( -8.089 -1.027 6.050) 10.153 15.431 ( 8.599 5.826 -9.478) 14.062 15.485 ( 10.895 0.168 -11.097) 15.553 16.034 ( -8.663 17.963 -14.125) 24.439 16.301 ( -12.673 -10.420 -17.210) 23.777 ======================= Grid point 157 (60/100) ======================= q-point: ( 0.44 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 7.070 10.488 7.814) 14.867 3.041 ( -0.871 5.494 6.763) 8.756 3.043 ( 4.814 0.964 5.919) 7.690 3.106 ( 0.319 1.408 8.648) 8.768 3.253 ( 2.499 -8.644 7.946) 12.004 3.274 ( -0.486 -4.892 -0.094) 4.917 3.328 ( -3.878 -5.273 5.302) 8.423 3.411 ( -9.958 -10.434 5.614) 15.477 3.887 ( 6.024 11.589 -6.355) 14.525 3.992 ( -4.026 10.663 -3.167) 11.830 4.100 ( 3.224 -9.965 -5.572) 11.863 4.156 ( -3.038 -5.456 -6.406) 8.946 4.591 ( 3.657 7.599 -1.687) 8.601 4.667 ( -3.155 8.295 0.315) 8.881 4.773 ( 4.296 -9.083 -1.777) 10.203 4.850 ( -2.397 -8.853 -1.160) 9.245 5.183 ( 13.989 4.795 -3.248) 15.141 5.304 ( 12.158 -7.337 -0.609) 14.213 5.424 ( -9.182 3.117 -1.987) 9.898 5.476 ( -5.037 -2.175 0.412) 5.502 6.062 ( 12.792 12.458 -4.101) 18.321 6.256 ( 10.960 -7.003 -8.513) 15.544 6.351 ( -10.110 8.343 -4.966) 14.017 6.486 ( -6.903 -3.855 -2.350) 8.248 6.783 ( 7.542 2.155 -3.303) 8.511 6.843 ( 3.584 -2.751 -6.145) 7.627 6.934 ( -6.646 5.471 -5.536) 10.235 7.017 ( -11.024 -3.266 -3.927) 12.150 7.251 ( 14.673 6.245 -0.030) 15.947 7.404 ( 12.864 -9.209 -2.260) 15.981 7.600 ( -18.126 7.679 -1.886) 19.776 7.736 ( -18.161 -6.554 -2.467) 19.464 8.142 ( 5.445 10.692 5.971) 13.403 8.211 ( 0.079 7.879 3.974) 8.825 8.338 ( 2.687 2.931 -5.799) 7.031 8.403 ( -2.466 -3.060 -4.995) 6.356 8.569 ( 1.750 -1.710 -3.540) 4.303 8.668 ( -2.084 1.545 -9.445) 9.794 8.761 ( -0.163 -7.037 -19.456) 20.690 8.923 ( -10.845 -11.213 -18.774) 24.409 9.816 ( 7.590 29.611 -2.950) 30.710 9.982 ( -7.181 31.376 -0.755) 32.196 10.381 ( 7.942 -26.403 2.596) 27.694 10.516 ( -3.869 -21.540 5.032) 22.455 11.555 ( 11.895 -3.370 20.612) 24.035 11.590 ( 16.276 -4.857 23.947) 29.359 11.776 ( -7.691 0.365 19.383) 20.857 11.874 ( -9.658 -8.268 21.929) 25.348 13.014 ( 0.763 14.416 4.629) 15.160 13.063 ( -4.210 12.366 0.192) 13.065 13.311 ( 1.141 -15.928 7.140) 17.493 13.345 ( -2.397 -16.912 1.523) 17.149 13.597 ( 15.106 4.224 11.682) 19.557 13.689 ( 11.058 -6.136 9.770) 15.981 13.904 ( -14.239 1.763 10.871) 18.001 13.939 ( -12.629 -2.156 10.105) 16.317 15.632 ( 10.713 9.076 -16.184) 21.426 15.744 ( 14.085 -2.860 -18.383) 23.335 15.844 ( -10.086 13.333 -17.537) 24.229 16.031 ( -13.973 -6.479 -20.051) 25.284 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 0.000 0.000 30.313) 30.313 2.213 ( 0.000 0.000 28.808) 28.808 3.093 ( 0.000 0.000 3.246) 3.246 3.116 ( 0.000 0.000 6.131) 6.131 3.199 ( 0.000 0.000 -2.776) 2.776 3.466 ( 0.000 0.000 24.467) 24.467 3.579 ( 0.000 0.000 -8.518) 8.518 3.625 ( 0.000 0.000 -19.669) 19.669 3.864 ( 0.000 0.000 0.415) 0.415 3.994 ( 0.000 0.000 -12.431) 12.431 4.037 ( 0.000 0.000 8.566) 8.566 4.067 ( 0.000 0.000 -1.157) 1.157 4.322 ( 0.000 0.000 8.910) 8.910 4.406 ( 0.000 0.000 2.410) 2.410 4.775 ( 0.000 0.000 7.199) 7.199 4.891 ( 0.000 0.000 -10.248) 10.248 4.914 ( 0.000 0.000 -10.562) 10.562 5.040 ( 0.000 0.000 9.020) 9.020 5.287 ( 0.000 0.000 1.529) 1.529 5.448 ( 0.000 0.000 -2.787) 2.787 5.638 ( 0.000 0.000 -8.247) 8.247 5.756 ( 0.000 0.000 3.729) 3.729 5.854 ( 0.000 0.000 2.075) 2.075 6.137 ( 0.000 0.000 -6.531) 6.531 6.239 ( 0.000 0.000 -8.519) 8.519 6.756 ( 0.000 0.000 11.012) 11.012 7.070 ( 0.000 0.000 -20.180) 20.180 7.344 ( 0.000 0.000 13.994) 13.994 7.472 ( 0.000 0.000 10.909) 10.909 7.714 ( 0.000 0.000 -18.182) 18.182 7.833 ( 0.000 0.000 15.864) 15.864 7.841 ( 0.000 0.000 5.677) 5.677 8.124 ( 0.000 0.000 3.158) 3.158 8.202 ( 0.000 0.000 5.456) 5.456 8.337 ( 0.000 0.000 9.922) 9.922 8.521 ( 0.000 0.000 -7.717) 7.717 8.796 ( 0.000 0.000 -8.029) 8.029 8.934 ( 0.000 0.000 -8.493) 8.493 8.994 ( 0.000 0.000 -3.586) 3.586 9.327 ( 0.000 0.000 18.661) 18.661 9.454 ( 0.000 0.000 18.712) 18.712 9.720 ( 0.000 0.000 -18.701) 18.701 10.400 ( 0.000 0.000 -7.292) 7.292 10.603 ( 0.000 0.000 -7.539) 7.539 11.125 ( 0.000 0.000 9.618) 9.618 11.734 ( 0.000 0.000 -3.057) 3.057 11.975 ( 0.000 0.000 -17.807) 17.807 12.284 ( 0.000 0.000 -18.996) 18.996 12.644 ( 0.000 0.000 15.005) 15.005 12.684 ( 0.000 0.000 14.004) 14.004 13.076 ( 0.000 0.000 3.436) 3.436 13.584 ( 0.000 0.000 -12.057) 12.057 13.654 ( 0.000 0.000 -13.383) 13.383 13.809 ( 0.000 0.000 -14.910) 14.910 14.225 ( 0.000 0.000 1.139) 1.139 14.327 ( 0.000 0.000 -2.094) 2.094 15.195 ( 0.000 0.000 11.101) 11.101 15.306 ( 0.000 0.000 10.006) 10.006 15.577 ( 0.000 0.000 26.669) 26.669 16.947 ( 0.000 0.000 -16.008) 16.008 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 5.885 0.000 26.896) 27.533 2.245 ( 3.121 0.000 28.282) 28.454 3.170 ( 7.022 0.000 2.484) 7.448 3.226 ( 9.108 0.000 4.596) 10.202 3.267 ( 5.702 0.000 -0.584) 5.732 3.508 ( -6.734 0.000 -4.593) 8.151 3.541 ( -7.602 0.000 -17.858) 19.408 3.585 ( 9.819 0.000 15.668) 18.491 3.762 ( -5.887 0.000 0.250) 5.892 3.993 ( -1.140 0.000 -10.651) 10.712 4.078 ( 2.823 0.000 -0.082) 2.824 4.128 ( 6.862 0.000 5.882) 9.038 4.198 ( -1.938 0.000 1.067) 2.212 4.617 ( -0.369 0.000 -4.268) 4.283 4.723 ( 8.907 0.000 7.785) 11.830 4.772 ( 0.218 0.000 8.777) 8.780 5.036 ( 0.291 0.000 8.811) 8.816 5.193 ( 11.282 0.000 -9.780) 14.931 5.336 ( 4.385 0.000 -0.479) 4.411 5.394 ( -5.200 0.000 -3.459) 6.245 5.622 ( -0.930 0.000 -6.281) 6.350 5.764 ( 0.269 0.000 4.446) 4.454 5.940 ( 7.954 0.000 -1.431) 8.082 6.080 ( -4.466 0.000 -2.134) 4.950 6.255 ( 1.008 0.000 -8.842) 8.899 6.730 ( -2.591 0.000 5.814) 6.365 7.079 ( 0.922 0.000 -18.671) 18.693 7.270 ( -6.698 0.000 11.411) 13.231 7.448 ( -2.040 0.000 11.349) 11.531 7.646 ( -6.247 0.000 -17.619) 18.693 7.845 ( -4.057 0.000 0.985) 4.175 7.863 ( 1.690 0.000 14.613) 14.711 8.053 ( 1.616 0.000 7.496) 7.668 8.142 ( -14.527 0.000 7.703) 16.443 8.195 ( -5.071 0.000 -4.638) 6.872 8.586 ( 5.365 0.000 -4.361) 6.914 8.736 ( -2.566 0.000 -8.426) 8.808 8.823 ( -4.372 0.000 -2.422) 4.998 9.105 ( 3.139 0.000 -1.250) 3.379 9.230 ( -29.139 0.000 -23.200) 37.247 9.383 ( -4.826 0.000 14.162) 14.962 9.754 ( 24.917 0.000 22.849) 33.808 10.424 ( -17.993 0.000 -13.107) 22.261 10.587 ( 9.364 0.000 -2.803) 9.774 11.184 ( 7.288 0.000 13.494) 15.336 11.896 ( 15.005 0.000 -6.313) 16.279 11.991 ( 5.386 0.000 -6.116) 8.150 12.190 ( -7.048 0.000 -15.922) 17.412 12.705 ( 5.464 0.000 16.580) 17.457 12.719 ( 2.095 0.000 12.617) 12.790 13.300 ( 19.803 0.000 -0.579) 19.812 13.651 ( -2.562 0.000 -14.066) 14.297 13.694 ( 9.489 0.000 -12.393) 15.608 13.925 ( 11.374 0.000 -13.547) 17.689 14.226 ( 0.035 0.000 1.172) 1.173 14.335 ( 0.852 0.000 -2.362) 2.510 15.142 ( -5.084 0.000 9.234) 10.541 15.236 ( -6.777 0.000 8.816) 11.120 15.462 ( -11.046 0.000 24.414) 26.796 16.782 ( -15.549 0.000 -16.038) 22.338 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 8.805 0.000 17.923) 19.969 2.339 ( 6.291 0.000 22.155) 23.031 3.282 ( -8.915 0.000 -13.058) 15.811 3.299 ( -6.239 0.000 5.691) 8.445 3.338 ( 7.675 0.000 2.971) 8.230 3.372 ( -5.621 0.000 -3.039) 6.390 3.453 ( 4.149 0.000 2.129) 4.664 3.627 ( -1.296 0.000 -11.993) 12.062 3.804 ( 2.705 0.000 1.711) 3.201 4.110 ( 18.680 0.000 4.000) 19.104 4.133 ( 3.731 0.000 0.262) 3.740 4.275 ( 8.773 0.000 -2.285) 9.065 4.343 ( 13.030 0.000 3.421) 13.472 4.603 ( 2.330 0.000 -2.729) 3.588 4.804 ( 3.133 0.000 10.043) 10.521 4.921 ( 5.458 0.000 15.446) 16.382 5.075 ( 2.049 0.000 2.185) 2.996 5.221 ( -6.934 0.000 -3.382) 7.715 5.406 ( -0.367 0.000 -3.904) 3.921 5.416 ( 9.100 0.000 0.931) 9.148 5.626 ( 1.160 0.000 -3.439) 3.629 5.753 ( 0.606 0.000 10.385) 10.402 6.040 ( 1.879 0.000 -0.375) 1.916 6.098 ( 5.658 0.000 -5.979) 8.232 6.259 ( -0.730 0.000 -7.459) 7.494 6.655 ( -4.579 0.000 -2.723) 5.328 7.071 ( -4.314 0.000 4.150) 5.986 7.158 ( -0.521 0.000 -16.231) 16.239 7.389 ( -4.525 0.000 10.480) 11.415 7.467 ( -11.424 0.000 -20.000) 23.032 7.678 ( -9.112 0.000 -1.382) 9.216 7.779 ( -10.727 0.000 3.390) 11.250 7.968 ( -3.233 0.000 8.513) 9.106 8.071 ( -5.340 0.000 -5.735) 7.836 8.176 ( 6.996 0.000 1.693) 7.198 8.567 ( -7.604 0.000 -9.689) 12.317 8.589 ( -25.031 0.000 -17.261) 30.405 8.714 ( -3.799 0.000 -10.941) 11.582 8.852 ( 3.904 0.000 7.086) 8.091 9.038 ( -5.256 0.000 7.631) 9.266 9.372 ( 2.594 0.000 3.327) 4.219 9.938 ( -27.293 0.000 -17.362) 32.348 10.309 ( 26.113 0.000 22.305) 34.343 10.682 ( 1.316 0.000 1.112) 1.723 11.460 ( 19.874 0.000 20.685) 28.685 11.979 ( -5.358 0.000 -7.788) 9.454 12.243 ( 18.353 0.000 6.499) 19.470 12.381 ( 24.356 0.000 -7.052) 25.356 12.774 ( 3.744 0.000 10.402) 11.056 12.826 ( 5.547 0.000 20.985) 21.706 13.550 ( -6.868 0.000 -11.950) 13.783 13.739 ( 20.845 0.000 -1.850) 20.926 13.899 ( 9.458 0.000 -10.387) 14.048 14.163 ( 9.835 0.000 -9.296) 13.533 14.225 ( -0.238 0.000 1.290) 1.312 14.362 ( 1.734 0.000 -2.758) 3.258 15.003 ( -8.484 0.000 3.456) 9.161 15.046 ( -11.193 0.000 4.131) 11.931 15.162 ( -17.227 0.000 15.617) 23.252 16.367 ( -24.253 0.000 -18.603) 30.566 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 8.401 0.000 6.446) 10.589 2.506 ( 10.332 0.000 9.927) 14.328 3.043 ( -12.358 0.000 -12.425) 17.525 3.160 ( -5.749 0.000 4.799) 7.488 3.220 ( -7.850 0.000 -2.893) 8.366 3.432 ( -14.342 0.000 -13.114) 19.434 3.476 ( 5.400 0.000 6.632) 8.553 3.541 ( 3.001 0.000 6.936) 7.557 4.041 ( 16.517 0.000 7.858) 18.291 4.267 ( 9.700 0.000 4.031) 10.504 4.436 ( 11.236 0.000 -2.196) 11.449 4.540 ( 11.257 0.000 -5.890) 12.705 4.592 ( 10.110 0.000 -1.044) 10.164 4.724 ( 10.707 0.000 3.172) 11.167 4.885 ( 4.137 0.000 10.365) 11.160 4.970 ( -8.744 0.000 -3.744) 9.512 5.015 ( 5.525 0.000 6.447) 8.490 5.187 ( 1.943 0.000 11.956) 12.113 5.267 ( -10.841 0.000 3.849) 11.504 5.573 ( 0.280 0.000 2.555) 2.571 5.655 ( 5.079 0.000 -0.297) 5.087 5.879 ( 10.515 0.000 4.633) 11.490 6.112 ( -4.068 0.000 -6.875) 7.988 6.145 ( 8.066 0.000 -3.347) 8.733 6.293 ( 6.343 0.000 -2.701) 6.894 6.560 ( -4.660 0.000 -7.558) 8.879 6.989 ( -2.736 0.000 2.784) 3.904 7.147 ( -6.203 0.000 -10.555) 12.243 7.188 ( -16.479 0.000 -23.976) 29.093 7.237 ( -6.385 0.000 -4.858) 8.023 7.560 ( -10.191 0.000 -5.124) 11.407 7.599 ( 1.793 0.000 -3.205) 3.672 7.737 ( -17.424 0.000 -6.087) 18.456 7.997 ( -2.228 0.000 -1.932) 2.949 8.245 ( -2.522 0.000 -3.399) 4.232 8.348 ( 1.274 0.000 -0.988) 1.612 8.364 ( -10.211 0.000 -4.514) 11.164 8.660 ( -3.245 0.000 -4.310) 5.395 8.805 ( -3.232 0.000 -0.197) 3.238 9.082 ( 3.955 0.000 1.769) 4.333 9.411 ( -0.990 0.000 5.115) 5.210 9.443 ( -16.715 0.000 -12.530) 20.890 10.680 ( 4.077 0.000 2.044) 4.561 10.714 ( 7.571 0.000 8.595) 11.453 11.953 ( 27.875 0.000 27.275) 39.000 11.987 ( 8.212 0.000 9.327) 12.427 12.651 ( 19.354 0.000 17.863) 26.338 12.766 ( 3.073 0.000 10.155) 10.609 12.879 ( 6.890 0.000 6.031) 9.157 13.010 ( 21.055 0.000 13.742) 25.143 13.387 ( -8.964 0.000 -8.742) 12.521 14.019 ( 3.476 0.000 11.244) 11.769 14.035 ( 3.062 0.000 -3.746) 4.838 14.212 ( -1.003 0.000 1.105) 1.492 14.270 ( 0.003 0.000 -0.239) 0.239 14.376 ( -2.072 0.000 1.660) 2.655 14.792 ( -9.487 0.000 -8.586) 12.796 14.867 ( -6.613 0.000 -6.354) 9.171 14.886 ( -5.221 0.000 -9.677) 10.995 15.855 ( -25.262 0.000 -25.652) 36.003 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 7.889 0.000 -3.314) 8.556 2.752 ( 13.778 0.000 -2.641) 14.029 2.815 ( -9.947 0.000 -9.020) 13.428 3.027 ( -11.186 0.000 -7.418) 13.422 3.111 ( -1.139 0.000 2.696) 2.927 3.171 ( -8.278 0.000 0.620) 8.301 3.554 ( 2.321 0.000 9.066) 9.358 3.573 ( 0.323 0.000 9.308) 9.314 4.365 ( 14.361 0.000 9.167) 17.037 4.495 ( 11.787 0.000 4.020) 12.454 4.563 ( -2.726 0.000 5.115) 5.796 4.671 ( 6.042 0.000 -6.595) 8.944 4.677 ( -3.580 0.000 -0.493) 3.614 4.787 ( -6.378 0.000 -10.978) 12.696 4.910 ( 7.575 0.000 8.823) 11.628 4.960 ( 4.249 0.000 10.420) 11.253 5.073 ( -7.190 0.000 8.613) 11.220 5.087 ( -5.895 0.000 11.193) 12.650 5.314 ( 11.328 0.000 5.643) 12.656 5.476 ( -5.692 0.000 -7.054) 9.064 5.808 ( 8.527 0.000 0.221) 8.530 5.987 ( -8.127 0.000 -3.848) 8.992 6.115 ( 12.120 0.000 -5.377) 13.259 6.293 ( -0.268 0.000 -6.335) 6.340 6.508 ( 14.087 0.000 0.545) 14.098 6.512 ( 5.931 0.000 -9.507) 11.206 6.813 ( -19.096 0.000 -17.880) 26.160 6.817 ( -15.103 0.000 1.446) 15.172 7.061 ( 2.605 0.000 -5.363) 5.962 7.154 ( -4.936 0.000 -13.653) 14.517 7.414 ( -2.515 0.000 -9.863) 10.179 7.474 ( -7.962 0.000 -11.142) 13.694 7.706 ( 8.241 0.000 -2.775) 8.696 7.908 ( -9.600 0.000 0.064) 9.601 8.137 ( -0.016 0.000 -5.117) 5.117 8.223 ( -6.034 0.000 -2.203) 6.423 8.448 ( 6.467 0.000 2.335) 6.876 8.572 ( -5.438 0.000 -0.300) 5.446 8.825 ( 4.912 0.000 -9.768) 10.933 8.983 ( -10.114 0.000 -15.511) 18.518 9.332 ( 3.596 0.000 8.087) 8.850 9.402 ( -2.335 0.000 6.603) 7.004 10.723 ( 2.710 0.000 -1.838) 3.274 10.777 ( -1.570 0.000 -0.259) 1.591 12.282 ( 18.258 0.000 23.679) 29.901 12.523 ( 26.397 0.000 32.575) 41.928 12.623 ( -13.651 0.000 24.860) 28.362 12.863 ( -2.424 0.000 29.960) 30.058 13.040 ( 7.478 0.000 3.221) 8.142 13.202 ( -8.859 0.000 -4.048) 9.740 13.512 ( 24.788 0.000 8.329) 26.150 13.936 ( -14.858 0.000 8.051) 16.899 13.979 ( 0.915 0.000 13.506) 13.537 14.143 ( -10.906 0.000 8.571) 13.871 14.210 ( 1.557 0.000 -1.071) 1.890 14.273 ( -5.005 0.000 1.801) 5.319 14.717 ( 0.874 0.000 -19.311) 19.330 14.766 ( -3.576 0.000 -15.440) 15.848 15.019 ( 14.779 0.000 -30.480) 33.874 15.384 ( -20.903 0.000 -32.307) 38.480 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 0.000 5.346 24.358) 24.938 2.276 ( 0.000 6.486 26.091) 26.885 3.101 ( 0.000 0.026 0.918) 0.919 3.150 ( 0.000 -5.143 -2.979) 5.944 3.194 ( 0.000 4.701 6.747) 8.223 3.436 ( 0.000 -10.982 -8.109) 13.651 3.479 ( 0.000 3.221 19.346) 19.612 3.553 ( 0.000 -6.306 -13.494) 14.895 3.828 ( 0.000 -8.920 -2.176) 9.182 3.971 ( 0.000 8.792 1.383) 8.900 4.146 ( 0.000 5.990 3.604) 6.991 4.158 ( 0.000 2.799 -6.764) 7.321 4.349 ( 0.000 -1.906 4.402) 4.797 4.420 ( 0.000 10.154 8.870) 13.483 4.838 ( 0.000 4.710 0.731) 4.766 4.888 ( 0.000 -0.077 -10.095) 10.095 4.903 ( 0.000 0.226 -5.059) 5.064 4.998 ( 0.000 -4.304 9.454) 10.388 5.250 ( 0.000 -5.058 2.210) 5.520 5.407 ( 0.000 -4.273 -4.122) 5.937 5.644 ( 0.000 1.096 -8.942) 9.009 5.771 ( 0.000 -6.476 2.384) 6.901 5.944 ( 0.000 16.948 3.275) 17.262 5.949 ( 0.000 -7.913 -2.287) 8.237 6.472 ( 0.000 13.880 -9.322) 16.720 6.786 ( 0.000 1.642 9.175) 9.320 7.092 ( 0.000 2.222 -19.708) 19.833 7.340 ( 0.000 -0.134 12.152) 12.153 7.424 ( 0.000 -3.547 12.176) 12.682 7.682 ( 0.000 -5.963 -7.100) 9.272 7.865 ( 0.000 5.112 -6.348) 8.150 7.983 ( 0.000 13.626 15.972) 20.995 8.037 ( 0.000 -6.935 3.313) 7.686 8.145 ( 0.000 -4.715 5.181) 7.005 8.429 ( 0.000 6.586 10.111) 12.067 8.470 ( 0.000 -5.440 -6.197) 8.246 8.859 ( 0.000 1.763 -5.457) 5.735 8.867 ( 0.000 -5.853 -10.166) 11.730 9.046 ( 0.000 10.694 -5.801) 12.166 9.350 ( 0.000 -0.490 17.644) 17.651 9.515 ( 0.000 8.602 17.945) 19.900 9.813 ( 0.000 8.829 -17.462) 19.568 10.324 ( 0.000 -8.134 -1.656) 8.301 10.616 ( 0.000 0.685 -10.680) 10.702 11.104 ( 0.000 -2.038 8.844) 9.076 11.687 ( 0.000 -5.445 -3.232) 6.331 11.905 ( 0.000 -7.891 -16.621) 18.399 12.176 ( 0.000 -11.311 -17.392) 20.747 12.650 ( 0.000 0.830 15.325) 15.347 12.676 ( 0.000 0.153 12.600) 12.601 13.058 ( 0.000 -1.402 3.984) 4.223 13.586 ( 0.000 0.122 -11.996) 11.997 13.591 ( 0.000 -5.664 -13.983) 15.087 13.779 ( 0.000 -1.657 -13.786) 13.885 14.112 ( 0.000 -11.566 1.749) 11.697 14.228 ( 0.000 -9.649 -2.463) 9.958 15.273 ( 0.000 7.686 11.986) 14.239 15.501 ( 0.000 18.360 7.232) 19.733 15.622 ( 0.000 4.383 24.700) 25.086 16.938 ( 0.000 -1.505 -15.399) 15.473 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 6.905 6.252 21.571) 23.496 2.321 ( 4.065 7.321 25.567) 26.903 3.157 ( 2.641 -3.515 -1.017) 4.513 3.197 ( 6.575 -0.253 1.927) 6.857 3.288 ( 7.480 -1.640 2.088) 7.938 3.412 ( -1.752 -6.327 -4.760) 8.109 3.511 ( -3.319 -4.329 -9.240) 10.730 3.606 ( 8.921 3.218 6.731) 11.630 3.749 ( -5.158 -2.268 5.863) 8.132 3.953 ( -1.431 1.890 -6.772) 7.175 4.145 ( -7.520 -0.080 1.496) 7.668 4.183 ( 3.467 4.563 -2.807) 6.381 4.222 ( 5.679 4.429 2.257) 7.547 4.603 ( -0.161 0.145 1.712) 1.725 4.689 ( 1.643 -0.056 4.130) 4.445 4.880 ( 4.431 6.561 7.575) 10.957 5.004 ( 1.096 -2.986 6.363) 7.114 5.131 ( 4.532 -5.645 -4.621) 8.588 5.288 ( 0.166 -6.968 -2.201) 7.309 5.390 ( 4.967 0.245 -1.921) 5.331 5.616 ( -2.119 0.972 -7.349) 7.710 5.804 ( 2.278 -1.969 2.344) 3.816 5.970 ( 4.092 0.104 -1.544) 4.375 6.020 ( 4.853 7.951 -0.579) 9.333 6.404 ( -5.871 11.621 -6.985) 14.775 6.776 ( -1.397 2.327 4.546) 5.294 7.101 ( 0.417 2.192 -15.811) 15.968 7.259 ( -6.346 -1.375 8.249) 10.498 7.410 ( -1.695 -2.020 9.897) 10.243 7.686 ( -3.044 0.491 -13.484) 13.832 7.836 ( -5.445 1.075 -1.821) 5.841 7.930 ( 0.465 -8.639 6.073) 10.570 7.998 ( 0.234 12.490 14.171) 18.892 8.154 ( -4.292 -3.503 -4.330) 7.031 8.250 ( -13.549 9.954 7.990) 18.614 8.533 ( 7.027 -6.029 -0.508) 9.273 8.746 ( -5.315 -5.900 -5.887) 9.885 8.911 ( -0.438 10.279 -7.376) 12.659 9.052 ( -0.394 1.384 -2.365) 2.768 9.238 ( -18.373 -2.213 -5.756) 19.380 9.435 ( -13.889 6.986 -1.488) 15.618 9.850 ( 23.825 9.002 21.802) 33.526 10.359 ( -13.970 -6.391 -10.365) 18.532 10.599 ( 5.655 0.149 -3.636) 6.725 11.162 ( 7.031 -2.070 12.556) 14.539 11.846 ( 14.625 -6.119 -5.479) 16.774 11.930 ( 4.714 -7.079 -6.616) 10.775 12.115 ( -3.846 -8.050 -12.960) 15.734 12.634 ( 0.374 -1.701 11.601) 11.731 12.798 ( 8.468 4.149 14.553) 17.341 13.271 ( 18.810 -2.825 0.352) 19.024 13.479 ( -5.685 -11.108 -13.047) 18.054 13.729 ( 8.340 -0.811 -11.428) 14.171 13.921 ( 11.578 -0.263 -13.227) 17.581 14.110 ( -0.159 -11.660 1.978) 11.828 14.240 ( 1.205 -8.931 -2.866) 9.456 15.220 ( -5.031 7.655 10.021) 13.577 15.431 ( -6.837 18.048 6.241) 20.284 15.517 ( -10.007 5.507 21.983) 24.773 16.785 ( -14.558 -0.433 -15.663) 21.388 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 10.787 8.565 14.001) 19.641 2.424 ( 5.962 8.287 20.898) 23.258 3.160 ( -3.274 -5.901 -5.252) 8.551 3.281 ( -5.681 -2.672 0.017) 6.278 3.359 ( 6.528 -0.091 -0.462) 6.545 3.391 ( -7.655 -0.981 -3.961) 8.675 3.515 ( 6.020 2.857 5.567) 8.683 3.632 ( 3.440 1.702 -5.804) 6.958 3.818 ( -2.208 3.548 -4.025) 5.802 3.922 ( 4.278 -8.656 0.935) 9.701 4.128 ( 7.618 -6.875 3.268) 10.769 4.317 ( 10.808 3.309 -2.508) 11.578 4.407 ( 11.776 3.142 3.903) 12.798 4.593 ( 2.640 -1.265 -0.105) 2.929 4.766 ( 3.316 -3.695 2.830) 5.715 4.957 ( 3.224 1.449 17.686) 18.036 4.987 ( -5.984 -6.968 -3.028) 9.671 5.121 ( -1.506 -7.028 3.158) 7.851 5.350 ( 8.742 -2.790 1.367) 9.278 5.538 ( 1.419 8.416 -3.355) 9.171 5.596 ( 2.255 -2.106 -1.403) 3.389 5.843 ( 3.202 7.400 6.851) 10.581 6.064 ( 4.851 -4.380 -5.876) 8.789 6.152 ( 7.656 10.926 -2.499) 13.574 6.276 ( -6.023 6.169 -6.965) 11.083 6.718 ( -4.237 3.324 -1.361) 5.555 7.038 ( -6.723 -1.820 5.007) 8.578 7.192 ( 0.309 1.640 -15.198) 15.289 7.355 ( -4.314 -1.839 6.573) 8.075 7.528 ( -10.394 2.798 -16.584) 19.771 7.689 ( -7.405 2.976 -2.925) 8.500 7.862 ( -12.502 7.224 1.649) 14.533 8.032 ( -3.391 -2.389 3.620) 5.505 8.053 ( 4.355 -7.107 -4.413) 9.431 8.101 ( -3.289 10.499 6.164) 12.611 8.555 ( -7.958 -0.472 -8.830) 11.896 8.627 ( -20.726 3.160 -13.404) 24.884 8.778 ( 3.642 -6.207 5.996) 9.367 8.885 ( -0.606 7.116 -3.977) 8.175 9.071 ( -6.165 9.240 -1.090) 11.162 9.312 ( -0.074 -4.590 4.094) 6.151 9.897 ( -26.886 -4.255 -16.741) 31.957 10.377 ( 24.578 6.367 20.933) 32.905 10.686 ( 2.109 -0.413 1.949) 2.902 11.427 ( 19.173 -3.259 19.925) 27.843 11.935 ( -2.832 -5.684 -5.634) 8.489 12.194 ( 18.473 -6.473 3.140) 19.824 12.274 ( 17.198 -11.036 1.601) 20.497 12.685 ( 5.419 1.181 7.102) 9.011 12.982 ( 9.561 8.134 16.453) 20.694 13.348 ( -7.286 -15.759 -11.720) 20.947 13.690 ( 19.872 -4.940 -0.337) 20.480 13.888 ( 6.593 -4.167 -7.632) 10.913 14.100 ( -0.450 -11.375 2.396) 11.634 14.156 ( 9.297 -1.486 -8.723) 12.835 14.274 ( 1.948 -7.155 -3.153) 8.058 15.087 ( -7.547 7.729 3.734) 11.429 15.230 ( -13.178 12.675 7.403) 19.726 15.259 ( -13.442 13.631 7.061) 20.405 16.394 ( -22.958 1.932 -18.321) 29.436 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 6.760 7.158 11.187) 14.902 2.627 ( 12.187 11.476 3.601) 17.123 3.029 ( -8.568 -0.385 -9.797) 13.021 3.162 ( -5.116 0.674 4.026) 6.545 3.224 ( -7.441 -0.498 0.382) 7.467 3.411 ( -4.932 0.255 -4.193) 6.478 3.551 ( -0.118 5.030 0.314) 5.041 3.618 ( -2.492 7.744 -1.306) 8.239 3.938 ( 13.753 -8.351 6.109) 17.211 4.052 ( 7.893 -16.428 4.940) 18.884 4.351 ( 11.512 -7.444 1.115) 13.754 4.529 ( 6.252 -6.887 -2.006) 9.516 4.651 ( 9.000 3.581 1.806) 9.853 4.691 ( 4.011 -9.651 5.640) 11.876 4.791 ( 0.492 -4.158 -3.882) 5.710 4.883 ( 0.515 -4.033 1.282) 4.264 5.012 ( 0.897 -1.536 -0.539) 1.859 5.172 ( 8.567 3.852 18.200) 20.481 5.417 ( -5.160 5.592 0.536) 7.628 5.574 ( 3.288 2.749 2.332) 4.879 5.613 ( 1.352 -3.023 -1.038) 3.471 5.959 ( 7.252 6.125 2.976) 9.948 6.141 ( -5.119 4.286 -9.671) 11.751 6.227 ( 9.830 2.290 1.520) 10.207 6.315 ( 8.290 8.329 -5.350) 12.913 6.626 ( -4.093 4.887 -4.577) 7.848 6.912 ( -6.385 -5.850 -4.431) 9.727 7.150 ( -6.653 0.083 -12.678) 14.318 7.182 ( -12.257 1.125 0.851) 12.338 7.368 ( -4.880 7.107 -20.490) 22.229 7.536 ( -8.200 0.081 -4.839) 9.522 7.664 ( -5.995 7.599 -1.646) 9.818 7.805 ( -14.365 4.757 -6.579) 16.500 8.000 ( -3.202 2.132 -0.930) 3.957 8.153 ( 2.274 -5.648 -3.048) 6.809 8.313 ( -11.388 -3.002 -4.518) 12.614 8.501 ( 2.934 12.688 0.895) 13.053 8.766 ( -2.577 -3.320 -1.266) 4.389 8.908 ( -4.954 21.007 -4.849) 22.121 9.007 ( 4.191 -6.759 2.773) 8.423 9.330 ( 0.301 -8.319 4.969) 9.695 9.399 ( -19.462 -3.920 -12.892) 23.672 10.709 ( 2.536 1.922 1.100) 3.367 10.749 ( 8.997 3.269 9.391) 13.410 11.901 ( 26.326 -5.446 25.687) 37.182 11.985 ( 9.690 -1.625 10.695) 14.523 12.532 ( 7.892 -23.094 8.794) 25.942 12.589 ( 17.459 -6.585 16.162) 24.686 12.830 ( 5.770 6.244 7.605) 11.406 13.187 ( -8.370 -15.844 -8.155) 19.687 13.226 ( 16.467 10.584 12.507) 23.230 13.963 ( 3.921 -5.830 10.869) 12.942 13.977 ( 1.975 -7.789 -2.243) 8.343 14.083 ( 0.308 -11.388 1.711) 11.520 14.257 ( -0.493 -1.083 -0.172) 1.202 14.289 ( -1.650 -6.640 1.100) 6.930 14.945 ( -5.799 8.524 -6.763) 12.330 14.998 ( -7.901 15.362 -9.513) 19.721 15.019 ( -7.284 13.662 -8.341) 17.586 15.907 ( -24.137 4.344 -24.687) 34.798 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 7.226 5.361 0.658) 9.021 2.847 ( -6.659 3.233 -6.597) 9.916 2.885 ( 10.969 12.826 -5.701) 17.814 3.083 ( -4.138 3.389 1.901) 5.676 3.117 ( -2.294 0.736 1.293) 2.735 3.196 ( -11.476 5.432 -6.525) 14.275 3.580 ( 1.802 2.354 7.102) 7.696 3.603 ( -0.544 2.939 7.412) 7.992 4.179 ( 8.474 -15.527 6.469) 18.835 4.223 ( 6.237 -18.444 8.137) 21.101 4.525 ( 2.451 -11.197 10.516) 15.555 4.549 ( 1.850 -13.678 -6.520) 15.265 4.645 ( -2.971 -9.787 -8.496) 13.296 4.686 ( -4.426 -1.576 5.051) 6.898 4.939 ( 8.862 4.620 9.209) 13.590 4.955 ( 3.585 1.825 3.739) 5.492 5.036 ( 3.214 -0.490 0.157) 3.255 5.237 ( -11.357 5.623 5.164) 13.685 5.418 ( 10.584 8.227 6.672) 14.974 5.533 ( -2.541 5.241 -4.449) 7.329 5.748 ( 8.936 -5.136 -0.627) 10.326 5.962 ( -10.010 -0.386 -6.395) 11.885 6.185 ( 12.674 2.866 -7.223) 14.867 6.388 ( -0.537 7.548 -2.798) 8.068 6.513 ( 8.372 3.506 -5.990) 10.875 6.605 ( 7.531 7.916 -2.700) 11.255 6.699 ( -12.474 -8.244 -16.038) 21.927 6.889 ( -15.832 5.048 -1.549) 16.689 7.082 ( 2.705 2.074 -4.447) 5.603 7.222 ( -9.619 6.605 -10.261) 15.538 7.451 ( 0.633 0.938 -11.029) 11.087 7.518 ( -6.091 6.650 -8.857) 12.640 7.739 ( 4.433 4.188 -3.805) 7.189 7.895 ( -8.988 -0.281 0.542) 9.009 8.126 ( -0.178 -0.738 -4.953) 5.011 8.177 ( -3.274 -2.900 -1.478) 4.616 8.610 ( 6.361 13.966 2.396) 15.532 8.731 ( -4.065 5.488 -1.422) 6.976 8.827 ( 1.561 9.307 -10.349) 14.006 8.958 ( -8.821 -0.544 -14.218) 16.741 9.246 ( 2.814 -8.620 7.869) 12.005 9.313 ( -2.450 -9.153 6.848) 11.691 10.756 ( 2.917 2.694 -1.164) 4.138 10.811 ( -1.523 2.887 0.037) 3.265 12.274 ( 16.829 -2.929 22.735) 28.437 12.434 ( 21.591 -10.431 27.264) 36.308 12.561 ( -4.406 -10.789 22.388) 25.239 12.763 ( -3.256 -9.692 25.787) 27.740 12.907 ( 3.649 -3.965 6.459) 8.411 13.022 ( -7.222 -12.863 -2.639) 14.986 13.627 ( 20.593 7.833 9.881) 24.146 13.936 ( -6.435 -2.690 6.603) 9.605 13.946 ( 0.397 -3.947 12.075) 12.710 14.103 ( -5.539 -6.812 5.356) 10.285 14.128 ( -4.126 -5.175 4.563) 8.039 14.196 ( -5.800 -5.211 3.657) 8.612 14.866 ( -1.939 11.824 -17.493) 21.203 14.872 ( -2.687 12.940 -17.986) 22.319 15.115 ( 12.936 8.337 -27.561) 31.567 15.456 ( -20.037 6.189 -30.341) 36.883 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 0.000 10.419 13.371) 16.951 2.440 ( 0.000 10.665 19.027) 21.812 3.007 ( 0.000 -10.345 -6.562) 12.250 3.048 ( 0.000 -6.495 0.998) 6.571 3.194 ( 0.000 -3.041 11.099) 11.508 3.253 ( 0.000 -7.861 5.656) 9.685 3.438 ( 0.000 -4.842 -15.057) 15.816 3.531 ( 0.000 -2.216 -10.824) 11.048 3.796 ( 0.000 6.232 15.300) 16.521 4.066 ( 0.000 -3.315 -1.093) 3.490 4.204 ( 0.000 8.449 3.613) 9.189 4.227 ( 0.000 6.850 -3.623) 7.749 4.453 ( 0.000 8.974 7.074) 11.427 4.630 ( 0.000 9.565 1.629) 9.703 4.841 ( 0.000 -2.208 -8.454) 8.738 4.877 ( 0.000 -3.817 6.656) 7.673 4.929 ( 0.000 1.765 1.466) 2.295 4.992 ( 0.000 5.288 3.326) 6.247 5.112 ( 0.000 -8.129 1.656) 8.297 5.309 ( 0.000 -4.584 -6.569) 8.010 5.597 ( 0.000 -6.642 -7.604) 10.096 5.616 ( 0.000 -9.650 5.417) 11.066 5.989 ( 0.000 11.671 3.099) 12.076 6.338 ( 0.000 23.242 -0.532) 23.248 6.693 ( 0.000 9.227 -9.801) 13.461 6.767 ( 0.000 -4.346 12.491) 13.225 7.087 ( 0.000 -4.577 -16.641) 17.259 7.345 ( 0.000 -0.008 7.446) 7.446 7.424 ( 0.000 5.171 6.746) 8.500 7.527 ( 0.000 -8.932 0.849) 8.972 7.863 ( 0.000 -8.148 1.562) 8.296 7.959 ( 0.000 1.930 -12.247) 12.399 8.087 ( 0.000 -0.109 2.976) 2.978 8.318 ( 0.000 -3.091 -4.561) 5.510 8.364 ( 0.000 15.768 14.092) 21.148 8.466 ( 0.000 -2.727 0.765) 2.832 8.770 ( 0.000 -2.759 -7.375) 7.874 8.895 ( 0.000 4.800 5.846) 7.564 9.299 ( 0.000 -4.156 16.335) 16.855 9.373 ( 0.000 19.907 -4.915) 20.505 9.740 ( 0.000 13.574 16.702) 21.522 10.007 ( 0.000 11.303 -17.295) 20.661 10.102 ( 0.000 -14.925 5.538) 15.919 10.596 ( 0.000 -3.676 -12.068) 12.615 11.054 ( 0.000 -3.572 7.660) 8.452 11.556 ( 0.000 -6.072 -6.347) 8.783 11.647 ( 0.000 -20.258 -10.049) 22.613 11.925 ( 0.000 -13.222 -16.869) 21.433 12.679 ( 0.000 2.208 14.376) 14.545 12.716 ( 0.000 3.622 10.108) 10.737 13.055 ( 0.000 2.338 5.013) 5.531 13.510 ( 0.000 -2.058 -14.258) 14.405 13.585 ( 0.000 -0.330 -11.823) 11.828 13.762 ( 0.000 -0.793 -12.758) 12.782 13.833 ( 0.000 -16.790 2.133) 16.925 14.021 ( 0.000 -11.138 -5.133) 12.264 15.445 ( 0.000 9.765 14.089) 17.142 15.682 ( 0.000 2.685 22.273) 22.434 15.919 ( 0.000 23.263 1.408) 23.306 16.863 ( 0.000 -7.132 -12.941) 14.776 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 6.997 9.031 11.748) 16.387 2.506 ( 5.801 12.603 18.240) 22.917 3.023 ( 1.958 -11.864 -7.354) 14.095 3.144 ( 6.602 -3.373 1.028) 7.485 3.241 ( 3.769 -2.902 6.155) 7.779 3.297 ( 6.427 -7.089 9.253) 13.311 3.426 ( -1.324 -3.241 -11.322) 11.851 3.607 ( 4.636 -5.008 -9.918) 12.038 3.799 ( 1.572 7.631 12.092) 14.385 4.051 ( -4.538 3.646 -5.513) 8.018 4.086 ( -5.975 0.722 4.211) 7.346 4.275 ( 1.341 5.804 0.423) 5.972 4.367 ( -0.841 9.839 0.351) 9.881 4.623 ( -6.208 0.767 -0.590) 6.283 4.693 ( -2.229 -1.799 -5.056) 5.811 4.889 ( 0.128 -4.140 14.862) 15.429 4.961 ( -1.618 -5.788 3.300) 6.856 5.035 ( -2.530 -4.308 2.854) 5.754 5.184 ( 7.977 1.149 -1.817) 8.262 5.394 ( 11.007 1.570 -1.596) 11.232 5.621 ( 1.677 -1.839 -7.155) 7.575 5.730 ( 9.174 -6.445 0.061) 11.212 6.000 ( 1.089 9.987 4.097) 10.849 6.372 ( 3.137 22.005 -1.327) 22.267 6.605 ( -7.602 8.945 -8.740) 14.635 6.765 ( -0.803 -3.482 7.252) 8.084 7.096 ( 0.903 -5.477 -12.523) 13.698 7.233 ( -8.145 1.390 9.214) 12.376 7.411 ( -1.845 -0.804 0.183) 2.021 7.635 ( 7.213 -3.140 0.554) 7.887 7.731 ( -9.369 -6.990 0.695) 11.710 7.913 ( -2.583 0.473 -10.667) 10.986 8.128 ( -1.222 2.169 -4.003) 4.714 8.279 ( -7.196 13.204 6.804) 16.506 8.366 ( 4.855 -9.624 3.747) 11.412 8.474 ( -3.312 12.146 6.998) 14.404 8.679 ( -3.462 0.645 -2.687) 4.429 8.846 ( -1.996 -6.006 -0.939) 6.398 9.130 ( -12.675 -5.493 3.888) 14.351 9.417 ( -7.863 24.089 -5.466) 25.923 9.592 ( -12.826 7.404 -6.895) 16.336 10.035 ( 21.803 9.613 19.193) 30.596 10.209 ( -9.752 -8.499 -7.332) 14.869 10.544 ( 0.376 -6.960 -3.356) 7.736 11.120 ( 6.968 -2.256 10.342) 12.672 11.685 ( 4.513 -18.371 -5.413) 19.677 11.691 ( 10.587 -9.004 -5.189) 14.835 11.933 ( 3.222 -9.854 -9.480) 14.048 12.682 ( 2.636 6.324 7.823) 10.400 12.875 ( 11.301 3.920 11.891) 16.867 13.215 ( 14.141 -2.083 2.553) 14.520 13.340 ( -9.460 -2.935 -11.874) 15.463 13.653 ( 2.869 -7.171 -8.584) 11.547 13.832 ( 0.391 -17.000 2.899) 17.250 13.922 ( 11.362 0.407 -12.558) 16.940 14.074 ( 4.849 -7.293 -6.566) 10.945 15.390 ( -5.242 9.520 11.984) 16.178 15.594 ( -8.398 3.517 19.831) 21.821 15.846 ( -7.130 22.898 -0.018) 23.982 16.734 ( -12.365 -5.741 -13.668) 19.304 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 10.330 6.672 8.984) 15.230 2.645 ( 7.848 15.154 13.326) 21.652 3.058 ( 0.835 -8.183 -7.034) 10.823 3.206 ( 0.602 -2.060 3.610) 4.200 3.340 ( -1.707 1.749 2.218) 3.300 3.416 ( 4.881 -0.221 -5.209) 7.142 3.481 ( 9.636 -5.473 6.998) 13.107 3.615 ( -1.510 -3.991 -0.699) 4.324 3.903 ( -0.144 6.532 0.324) 6.541 3.927 ( -0.370 2.249 -7.399) 7.742 3.974 ( -2.221 -5.338 3.235) 6.625 4.340 ( 2.715 0.825 -0.830) 2.956 4.420 ( 4.591 -2.148 3.264) 6.029 4.578 ( 2.971 0.482 4.734) 5.610 4.667 ( 1.780 -4.541 -7.097) 8.611 4.819 ( -5.662 -8.850 -5.507) 11.862 4.970 ( -0.479 -3.564 8.090) 8.853 5.013 ( 5.881 -3.888 17.173) 18.564 5.368 ( 8.051 4.046 -1.384) 9.116 5.559 ( 2.579 -1.820 -0.348) 3.176 5.662 ( 2.293 4.763 -3.225) 6.193 5.946 ( 8.670 -6.081 -6.100) 12.221 6.043 ( 6.704 14.355 9.223) 18.332 6.427 ( -9.168 8.375 -10.887) 16.514 6.453 ( 4.601 18.017 -4.125) 19.047 6.723 ( -3.301 -2.591 0.224) 4.202 7.053 ( -8.259 3.702 6.164) 10.950 7.127 ( 0.764 -7.543 -1.151) 7.668 7.347 ( -4.445 -2.294 -7.537) 9.046 7.514 ( -10.811 -3.496 -7.263) 13.485 7.751 ( 1.961 1.468 -2.005) 3.165 7.919 ( 2.603 -1.096 -5.526) 6.206 8.006 ( -10.234 6.574 -1.179) 12.220 8.091 ( -7.545 7.180 -3.873) 11.113 8.307 ( -7.401 5.277 2.069) 9.322 8.541 ( 1.366 -4.673 -2.462) 5.456 8.662 ( -12.846 -2.615 -0.301) 13.113 8.692 ( 1.990 8.841 5.593) 10.649 8.896 ( -7.810 -4.930 -5.556) 10.778 9.161 ( -5.647 0.499 -1.345) 5.826 9.533 ( -2.920 26.513 -3.730) 26.933 9.800 ( -24.329 -5.038 -13.757) 28.400 10.500 ( 20.940 5.184 17.362) 27.691 10.602 ( 3.363 -10.564 4.781) 12.073 11.359 ( 16.771 -3.317 17.019) 24.123 11.728 ( 2.455 -16.499 -0.567) 16.690 11.960 ( 12.408 -12.557 1.540) 17.720 12.117 ( 13.900 -7.895 3.356) 16.334 12.804 ( 9.082 9.869 2.290) 13.606 13.107 ( 9.107 4.707 9.806) 14.187 13.146 ( -5.327 -2.735 -6.174) 8.601 13.571 ( 16.816 -7.345 2.920) 18.581 13.697 ( 1.583 -14.975 -3.511) 15.462 13.840 ( 0.556 -15.054 4.565) 15.741 14.133 ( 8.255 -0.597 -8.504) 11.867 14.184 ( 4.986 -2.484 -5.959) 8.158 15.253 ( -7.558 9.051 5.203) 12.889 15.375 ( -11.924 5.897 11.042) 17.288 15.646 ( -12.131 21.871 -4.594) 25.428 16.396 ( -20.074 -2.567 -16.719) 26.251 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 6.431 8.820 8.213) 13.660 2.839 ( 10.562 10.115 1.752) 14.728 3.054 ( -0.565 0.893 -5.796) 5.891 3.182 ( -2.917 2.990 3.777) 5.631 3.246 ( -5.444 4.992 4.562) 8.682 3.462 ( -1.055 4.207 -1.504) 4.591 3.572 ( 0.907 -4.978 -1.417) 5.255 3.686 ( 2.643 -10.525 -1.664) 10.978 3.818 ( -0.726 1.954 4.341) 4.816 3.888 ( 1.648 3.023 1.145) 3.629 4.162 ( 10.259 -12.556 3.328) 16.552 4.277 ( -5.768 -15.775 0.553) 16.806 4.514 ( 1.746 -5.060 0.182) 5.356 4.680 ( 1.846 0.046 3.601) 4.047 4.782 ( 9.395 1.332 -0.128) 9.489 4.822 ( 8.512 -2.137 -0.376) 8.784 4.968 ( 1.035 -3.531 3.685) 5.208 5.210 ( 12.443 -2.704 9.866) 16.108 5.457 ( -0.616 1.447 -2.460) 2.920 5.566 ( -0.138 -1.317 1.271) 1.835 5.672 ( -0.458 5.407 -3.977) 6.728 5.993 ( 2.047 -3.547 -5.106) 6.546 6.246 ( -8.937 6.231 -10.756) 15.309 6.337 ( 16.039 12.202 7.257) 21.420 6.542 ( 3.549 10.524 -10.421) 15.230 6.662 ( -1.782 -0.763 -2.673) 3.302 6.878 ( -9.935 3.852 -1.443) 10.753 7.098 ( -4.376 -3.289 0.753) 5.526 7.222 ( -8.056 -0.693 -6.627) 10.455 7.358 ( -1.780 -4.168 -7.097) 8.421 7.666 ( -11.640 8.790 -9.839) 17.594 7.852 ( -1.249 7.320 -3.751) 8.320 7.869 ( -10.011 7.753 -6.706) 14.328 8.052 ( 2.142 -0.234 -6.251) 6.612 8.123 ( -7.644 3.344 -1.354) 8.452 8.298 ( -11.816 3.433 -4.632) 13.147 8.671 ( 3.042 -5.243 1.377) 6.216 8.692 ( -2.427 -2.190 -0.894) 3.389 8.896 ( 6.321 1.062 6.704) 9.275 9.117 ( -1.761 -11.224 0.686) 11.382 9.318 ( -15.719 9.087 -9.413) 20.451 9.472 ( -7.359 26.132 -4.680) 27.549 10.671 ( 3.613 -9.007 3.291) 10.248 10.794 ( 7.210 -0.608 6.991) 10.061 11.767 ( 22.033 -7.669 20.935) 31.346 11.859 ( 11.165 -12.091 12.071) 20.410 12.150 ( 7.031 -15.173 7.498) 18.326 12.414 ( 12.885 -11.785 11.702) 21.020 12.925 ( -0.860 1.610 -0.817) 2.000 13.057 ( 1.001 7.534 3.547) 8.387 13.384 ( 16.118 6.576 12.170) 21.240 13.720 ( 1.114 -18.103 0.096) 18.138 13.810 ( 4.380 -10.166 10.340) 15.147 13.865 ( 3.165 -10.874 5.416) 12.553 14.214 ( -1.017 -1.485 0.071) 1.801 14.237 ( -0.524 -1.027 -0.410) 1.224 15.121 ( -4.721 9.292 -6.083) 12.068 15.192 ( -3.928 8.066 -6.978) 11.366 15.387 ( -12.595 20.022 -12.615) 26.808 15.965 ( -21.660 0.782 -22.434) 31.193 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 5.317 8.759 2.241) 10.488 2.925 ( -3.269 5.208 -3.030) 6.855 3.132 ( -0.979 3.861 6.032) 7.228 3.145 ( 10.079 10.298 -5.678) 15.487 3.154 ( -2.825 5.161 5.321) 7.933 3.356 ( -9.183 6.826 -9.327) 14.763 3.604 ( 2.944 -0.544 3.968) 4.971 3.664 ( -2.487 2.138 2.908) 4.383 3.879 ( 4.633 -13.421 8.833) 16.722 3.947 ( -0.050 -10.489 6.697) 12.445 4.200 ( 1.143 -15.591 -0.099) 15.633 4.268 ( -1.798 -16.504 -1.264) 16.649 4.552 ( 4.833 -0.573 1.878) 5.217 4.660 ( -4.007 -0.010 5.621) 6.903 4.953 ( 4.659 -3.181 4.550) 7.248 4.994 ( 0.966 -3.628 1.534) 4.055 5.050 ( 13.380 5.829 1.934) 14.722 5.316 ( -11.079 3.968 -0.022) 11.768 5.474 ( 9.399 -4.650 4.534) 11.425 5.563 ( -1.182 -2.690 1.584) 3.337 5.729 ( 9.114 4.911 -9.487) 14.042 6.002 ( -13.035 4.413 -12.176) 18.375 6.146 ( 10.888 -6.044 -10.969) 16.595 6.439 ( -13.973 -6.257 -12.133) 19.535 6.612 ( 6.774 5.420 -3.043) 9.193 6.663 ( 0.614 8.978 -5.141) 10.364 6.765 ( 4.442 7.395 -0.834) 8.667 6.955 ( -10.715 1.142 -2.860) 11.149 7.158 ( 5.767 5.909 -1.362) 8.368 7.377 ( -13.298 9.354 -5.961) 17.317 7.442 ( 7.650 -1.405 -4.147) 8.815 7.659 ( -11.383 5.011 -9.267) 15.510 7.870 ( 1.769 9.948 -6.816) 12.188 7.940 ( -6.086 5.919 -1.824) 8.683 8.125 ( 1.908 0.657 -6.157) 6.479 8.166 ( -2.523 2.898 -1.668) 4.188 8.649 ( 0.860 -5.981 -3.662) 7.065 8.705 ( -2.758 -6.589 -6.220) 9.472 8.995 ( 3.284 -12.622 7.184) 14.890 9.057 ( -2.487 -10.605 2.551) 11.188 9.201 ( 2.812 22.849 -0.668) 23.031 9.323 ( -7.508 29.716 -3.131) 30.809 10.751 ( 4.230 -6.385 0.683) 7.689 10.825 ( -2.364 -4.102 0.411) 4.753 12.088 ( 9.305 -14.719 14.757) 22.826 12.132 ( 7.356 -16.493 11.402) 21.358 12.316 ( 12.809 -12.839 21.933) 28.459 12.527 ( -3.434 -15.095 20.026) 25.312 12.916 ( 2.696 5.301 5.274) 7.949 13.021 ( -5.360 10.596 13.040) 17.637 13.735 ( 9.003 -5.601 8.161) 13.380 13.755 ( 8.145 -5.683 7.809) 12.634 13.805 ( 0.183 -11.445 11.759) 16.410 13.967 ( 6.831 -5.274 6.600) 10.865 14.083 ( -11.552 -0.050 8.171) 14.149 14.144 ( -8.070 -1.582 6.021) 10.192 15.085 ( 1.339 11.661 -16.746) 20.450 15.175 ( -7.617 16.217 -19.557) 26.523 15.263 ( 10.193 6.398 -23.616) 26.506 15.557 ( -18.044 3.594 -27.097) 32.753 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 0.000 13.460 3.094) 13.811 2.650 ( 0.000 10.361 8.470) 13.382 2.781 ( 0.000 -12.189 -1.539) 12.285 2.879 ( 0.000 -10.757 5.520) 12.090 3.139 ( 0.000 -1.880 9.620) 9.802 3.149 ( 0.000 -3.178 9.916) 10.413 3.402 ( 0.000 0.998 -12.129) 12.170 3.457 ( 0.000 -4.221 -11.154) 11.926 3.902 ( 0.000 4.213 5.103) 6.617 3.979 ( 0.000 -4.488 0.180) 4.492 4.392 ( 0.000 9.434 -2.239) 9.696 4.410 ( 0.000 9.316 -2.463) 9.636 4.583 ( 0.000 3.284 9.683) 10.225 4.641 ( 0.000 -6.039 -1.756) 6.289 4.805 ( 0.000 -0.051 -0.731) 0.733 4.850 ( 0.000 -0.641 16.220) 16.233 4.939 ( 0.000 -2.682 -7.984) 8.422 4.988 ( 0.000 -4.670 -5.360) 7.109 5.136 ( 0.000 13.174 6.189) 14.555 5.319 ( 0.000 4.375 -4.552) 6.313 5.409 ( 0.000 -11.920 8.038) 14.377 5.459 ( 0.000 -7.490 -4.034) 8.507 6.279 ( 0.000 17.706 9.096) 19.906 6.591 ( 0.000 -13.729 17.059) 21.897 6.736 ( 0.000 14.794 -9.562) 17.615 6.807 ( 0.000 3.049 -12.835) 13.192 7.012 ( 0.000 1.344 -5.237) 5.406 7.212 ( 0.000 -13.882 5.386) 14.891 7.484 ( 0.000 3.666 2.265) 4.309 7.529 ( 0.000 1.867 2.176) 2.867 7.794 ( 0.000 3.083 -7.165) 7.800 7.920 ( 0.000 -5.902 -12.568) 13.885 8.090 ( 0.000 0.299 2.826) 2.842 8.164 ( 0.000 -7.262 -0.371) 7.272 8.451 ( 0.000 3.260 -8.821) 9.404 8.537 ( 0.000 -3.209 -11.083) 11.538 8.959 ( 0.000 18.711 19.292) 26.876 9.010 ( 0.000 5.966 13.084) 14.380 9.237 ( 0.000 1.287 13.384) 13.446 9.514 ( 0.000 -13.931 11.809) 18.262 9.934 ( 0.000 3.601 3.005) 4.690 9.949 ( 0.000 6.428 13.324) 14.794 10.228 ( 0.000 12.595 -17.397) 21.478 10.460 ( 0.000 -10.870 -13.317) 17.190 11.007 ( 0.000 2.134 5.612) 6.004 11.231 ( 0.000 -20.656 -2.331) 20.787 11.548 ( 0.000 5.218 -12.958) 13.969 11.705 ( 0.000 -10.530 -16.458) 19.538 12.725 ( 0.000 2.483 12.585) 12.828 12.756 ( 0.000 -0.188 10.582) 10.583 13.192 ( 0.000 12.448 4.563) 13.258 13.469 ( 0.000 -12.363 0.081) 12.363 13.540 ( 0.000 -3.410 -9.897) 10.468 13.566 ( 0.000 -1.783 -11.897) 12.030 13.777 ( 0.000 1.753 -12.279) 12.403 13.850 ( 0.000 -6.579 -9.645) 11.676 15.606 ( 0.000 6.929 16.716) 18.096 15.691 ( 0.000 -1.995 19.535) 19.637 16.335 ( 0.000 20.483 -3.957) 20.862 16.663 ( 0.000 -14.369 -8.825) 16.863 ======================= Grid point 217 (77/100) ======================= q-point: ( 0.11 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 4.060 11.233 2.826) 12.274 2.769 ( 8.119 1.862 0.383) 8.338 2.779 ( 3.301 -0.135 5.855) 6.722 3.037 ( 12.332 -11.402 3.766) 17.212 3.163 ( 1.710 -1.002 8.693) 8.916 3.198 ( 5.810 -3.826 8.800) 11.218 3.420 ( 1.282 2.508 -7.926) 8.411 3.500 ( 3.419 -5.584 -7.755) 10.150 3.906 ( -0.629 4.135 2.895) 5.087 3.982 ( -0.676 -4.331 -1.092) 4.517 4.289 ( -8.267 12.823 -0.277) 15.259 4.421 ( -1.155 6.898 0.923) 7.054 4.516 ( -6.409 2.042 -2.625) 7.221 4.550 ( -4.520 -5.798 4.496) 8.617 4.672 ( -6.874 2.281 -6.649) 9.832 4.785 ( -7.772 -7.982 -6.362) 12.829 4.866 ( 1.269 -1.499 17.204) 17.315 4.910 ( -3.369 -6.123 5.074) 8.636 5.326 ( 9.414 9.926 0.826) 13.705 5.440 ( 6.134 0.799 1.564) 6.381 5.564 ( 10.861 -3.131 -6.309) 12.945 5.598 ( 13.647 -5.918 0.381) 14.880 6.279 ( 0.755 17.757 10.864) 20.830 6.585 ( -0.257 -12.073 14.853) 19.143 6.738 ( -0.651 10.311 -12.365) 16.113 6.750 ( -5.526 4.198 -11.428) 13.370 7.003 ( -0.257 1.992 -2.612) 3.295 7.199 ( -1.618 -11.047 4.130) 11.904 7.391 ( -6.492 5.631 -0.128) 8.595 7.539 ( -4.256 -8.197 0.703) 9.263 7.747 ( 0.377 6.787 -4.892) 8.375 7.868 ( -0.595 -4.958 -7.639) 9.126 8.178 ( 4.027 1.899 -1.143) 4.597 8.236 ( 3.197 -3.948 -0.798) 5.143 8.414 ( -4.273 4.645 -6.793) 9.272 8.521 ( -2.172 -5.462 -8.800) 10.583 8.779 ( -11.197 6.195 7.315) 14.740 8.880 ( -10.725 -0.152 12.151) 16.208 9.146 ( -5.799 16.511 10.078) 20.194 9.523 ( -9.582 -15.182 4.556) 18.522 9.872 ( 1.199 20.307 -0.173) 20.343 10.113 ( -2.648 -4.202 -2.195) 5.430 10.186 ( 7.588 7.574 3.588) 11.305 10.356 ( -3.870 -11.080 -4.611) 12.610 11.099 ( 7.797 2.200 7.683) 11.165 11.295 ( 4.791 -18.693 -0.033) 19.297 11.641 ( 8.782 3.031 -8.226) 12.409 11.761 ( 6.387 -8.526 -9.421) 14.221 12.818 ( 8.525 6.907 7.700) 13.404 12.907 ( 12.565 -1.752 8.319) 15.171 13.261 ( 6.540 8.501 4.872) 11.780 13.361 ( -8.933 4.574 -10.006) 14.172 13.490 ( -4.465 -9.736 -7.057) 12.827 13.514 ( 0.947 -15.399 2.376) 15.610 13.940 ( 11.105 1.500 -11.936) 16.372 13.981 ( 9.419 -3.160 -10.383) 14.371 15.544 ( -5.881 6.436 14.450) 16.876 15.617 ( -6.958 -1.278 17.122) 18.526 16.249 ( -8.245 19.632 -5.261) 21.934 16.558 ( -10.074 -13.156 -9.924) 19.314 ======================= Grid point 218 (78/100) ======================= q-point: ( 0.22 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 8.291 8.187 2.062) 11.833 2.846 ( 4.716 -8.708 -1.091) 9.963 2.971 ( 8.902 14.900 4.936) 18.045 3.210 ( 3.920 -2.526 7.787) 9.077 3.300 ( 10.137 -6.212 0.873) 11.921 3.350 ( 7.543 -6.785 7.856) 12.831 3.439 ( 0.749 5.885 -1.548) 6.131 3.552 ( 0.563 -4.667 -4.374) 6.421 3.845 ( -3.467 0.147 4.620) 5.778 3.917 ( -4.927 -4.758 -0.681) 6.883 4.116 ( -7.475 10.238 -2.841) 12.991 4.286 ( -11.412 -7.969 -3.767) 14.420 4.454 ( 4.255 8.113 1.560) 9.293 4.591 ( 6.237 -3.099 1.154) 7.059 4.651 ( 3.532 2.340 -5.415) 6.876 4.698 ( -0.691 -2.820 -6.758) 7.356 4.877 ( 0.178 -2.956 10.697) 11.099 4.925 ( 5.184 -5.892 14.882) 16.824 5.456 ( 4.044 4.538 -2.322) 6.507 5.522 ( 2.178 -2.527 -1.296) 3.579 5.742 ( 5.035 4.417 -3.189) 7.419 5.835 ( 7.002 -5.583 -4.423) 9.988 6.359 ( 8.119 17.418 13.427) 23.443 6.552 ( -6.258 2.992 -11.758) 13.651 6.644 ( -2.979 -4.116 3.660) 6.262 6.684 ( -2.131 1.185 -10.336) 10.619 7.030 ( 2.942 2.731 2.429) 4.693 7.137 ( -4.350 0.857 4.281) 6.163 7.258 ( -6.552 -2.125 -4.924) 8.466 7.379 ( -9.345 -9.662 -3.737) 13.951 7.820 ( 4.208 5.993 -2.934) 7.888 7.913 ( 2.991 -2.246 -6.436) 7.444 8.131 ( -7.385 5.867 -3.108) 9.931 8.206 ( -7.049 -0.310 -3.944) 8.083 8.318 ( -4.688 4.409 -0.061) 6.436 8.438 ( -2.351 -5.332 -4.937) 7.638 8.619 ( -8.216 -0.088 0.310) 8.222 8.721 ( -3.468 -10.098 -0.820) 10.708 9.001 ( -9.502 17.109 2.103) 19.683 9.201 ( -15.755 -2.323 -5.163) 16.742 9.812 ( -12.267 10.347 -3.872) 16.508 9.994 ( 4.612 12.409 2.195) 13.419 10.321 ( -0.149 -8.986 2.790) 9.411 10.496 ( 11.962 -8.560 8.293) 16.886 11.319 ( 14.517 -0.386 13.894) 20.098 11.416 ( 8.468 -12.723 6.741) 16.705 11.853 ( 10.589 1.327 0.268) 10.675 11.959 ( 11.996 -8.334 0.727) 14.625 13.015 ( 8.978 11.916 1.900) 15.040 13.174 ( 10.439 -1.524 5.571) 11.930 13.199 ( -1.555 8.084 -4.080) 9.188 13.401 ( -2.081 -13.037 -3.125) 13.567 13.473 ( 10.314 -2.496 6.754) 12.578 13.579 ( 4.536 -11.766 6.476) 14.176 14.136 ( 7.332 0.645 -7.881) 10.783 14.153 ( 6.638 -1.201 -7.277) 9.922 15.392 ( -8.229 5.294 7.000) 12.031 15.438 ( -9.673 0.535 8.924) 13.172 16.019 ( -14.019 17.437 -9.352) 24.250 16.279 ( -16.846 -10.207 -13.519) 23.890 ======================= Grid point 219 (79/100) ======================= q-point: ( 0.33 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 8.850 6.322 1.713) 11.010 2.946 ( 4.886 -2.574 0.211) 5.526 3.115 ( 5.406 11.313 0.876) 12.569 3.284 ( 2.060 5.009 6.814) 8.705 3.371 ( -2.058 -4.225 1.751) 5.015 3.395 ( -3.894 -4.415 4.974) 7.707 3.460 ( 1.450 -1.094 3.246) 3.720 3.566 ( 2.764 -0.700 -3.956) 4.877 3.798 ( -2.529 -3.750 7.804) 9.020 3.906 ( 4.273 -10.200 0.350) 11.064 4.007 ( -3.573 4.393 -3.342) 6.575 4.096 ( -6.557 -4.008 -5.632) 9.528 4.548 ( 3.779 8.042 3.408) 9.517 4.711 ( 4.498 -1.794 1.021) 4.949 4.736 ( 4.112 -2.040 1.783) 4.925 4.798 ( 7.933 -2.502 -4.832) 9.620 4.942 ( 7.508 3.623 9.935) 12.969 5.081 ( 10.217 -9.280 7.222) 15.578 5.497 ( -0.424 2.537 -2.884) 3.864 5.540 ( -0.290 -1.874 -0.990) 2.139 5.774 ( -0.033 5.740 -6.552) 8.710 5.889 ( 1.087 -6.431 -7.179) 9.699 6.371 ( -9.676 7.116 -14.898) 19.137 6.505 ( -6.511 -6.499 -17.637) 19.892 6.597 ( 8.758 12.045 9.611) 17.725 6.734 ( 3.419 -0.058 4.019) 5.277 7.011 ( -8.583 9.320 -1.016) 12.711 7.073 ( -2.510 1.650 -0.638) 3.071 7.160 ( -0.776 -4.177 -1.137) 4.398 7.235 ( -0.176 -9.418 0.644) 9.442 7.801 ( -8.874 6.581 -9.610) 14.643 7.890 ( -6.700 -1.326 -11.369) 13.263 8.042 ( 0.666 3.748 -4.265) 5.717 8.072 ( -3.419 0.876 -2.881) 4.556 8.208 ( -4.303 10.771 -2.208) 11.807 8.415 ( -6.866 -1.036 -6.043) 9.204 8.493 ( 1.333 -2.732 0.537) 3.087 8.622 ( -5.015 -5.868 -2.161) 8.015 8.843 ( -5.586 -2.407 3.433) 6.984 8.935 ( -11.021 -8.758 -4.172) 14.682 9.699 ( 1.162 30.130 2.544) 30.259 10.045 ( -1.173 26.113 -2.025) 26.217 10.328 ( 2.260 -21.883 4.263) 22.408 10.616 ( 0.221 -20.237 0.849) 20.256 11.658 ( 15.662 -3.992 15.650) 22.498 11.673 ( 17.964 -4.275 17.431) 25.394 12.024 ( 5.878 2.044 5.661) 8.413 12.179 ( 8.120 -12.267 7.031) 16.305 13.060 ( -0.262 12.848 -0.189) 12.852 13.269 ( 5.824 11.215 7.483) 14.686 13.368 ( 1.588 -16.354 1.672) 16.515 13.459 ( 12.319 -2.514 8.304) 15.067 13.634 ( 4.537 -4.760 11.878) 13.577 13.694 ( 7.155 -7.391 9.181) 13.788 14.207 ( -0.722 0.339 -0.329) 0.863 14.219 ( -0.642 -0.840 -0.411) 1.134 15.258 ( -3.941 4.818 -5.884) 8.565 15.287 ( -3.679 1.827 -6.193) 7.431 15.713 ( -15.380 14.458 -15.936) 26.449 15.912 ( -18.573 -6.720 -19.367) 27.662 ======================= Grid point 220 (80/100) ======================= q-point: ( 0.44 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 5.499 9.129 1.038) 10.708 3.032 ( 2.863 5.378 -1.262) 6.222 3.194 ( 1.830 -0.258 -4.004) 4.410 3.229 ( -4.081 0.507 4.955) 6.440 3.309 ( -1.277 7.055 8.724) 11.292 3.349 ( -2.600 2.321 0.137) 3.488 3.504 ( 3.587 -11.634 9.915) 15.701 3.578 ( -2.480 -11.168 5.424) 12.661 3.807 ( 3.859 5.869 1.367) 7.155 3.908 ( -4.982 6.568 -2.591) 8.642 3.994 ( 2.508 -11.524 -3.290) 12.244 4.032 ( -1.342 -6.436 -4.244) 7.825 4.632 ( 4.955 8.909 4.993) 11.351 4.723 ( -2.990 6.957 4.787) 8.959 4.826 ( 4.218 -9.941 4.730) 11.790 4.880 ( -0.139 -8.183 2.804) 8.651 5.171 ( 13.026 7.090 2.037) 14.970 5.320 ( 11.468 -8.661 1.940) 14.501 5.403 ( -8.687 4.508 0.083) 9.787 5.492 ( -5.179 -4.640 0.934) 7.016 5.849 ( 9.393 7.217 -13.190) 17.728 5.993 ( 10.216 -7.896 -14.108) 19.125 6.123 ( -14.622 6.779 -15.388) 22.283 6.274 ( -14.994 -9.155 -17.423) 24.743 6.743 ( 5.270 6.329 1.912) 8.455 6.800 ( 3.508 2.085 -1.965) 4.529 6.859 ( -4.796 4.772 -1.425) 6.914 6.939 ( -7.590 -2.690 -3.940) 8.965 7.278 ( 11.494 6.541 1.461) 13.306 7.387 ( 11.734 -4.664 0.209) 12.629 7.545 ( -14.025 8.019 -4.088) 16.665 7.660 ( -14.235 -3.846 -5.380) 15.696 8.053 ( 2.576 7.769 -8.128) 11.535 8.120 ( -0.050 8.419 -9.906) 13.000 8.147 ( 1.261 3.469 -7.580) 8.431 8.258 ( -6.715 2.690 -8.053) 10.825 8.554 ( 2.150 -3.219 0.982) 3.994 8.586 ( 0.329 -1.138 1.119) 1.629 8.736 ( -2.474 -11.923 6.089) 13.615 8.785 ( -4.999 -13.517 4.653) 15.144 9.798 ( 7.193 35.324 0.566) 36.054 9.950 ( -7.074 35.004 -2.355) 35.790 10.423 ( 6.322 -28.148 1.760) 28.903 10.551 ( -5.633 -25.808 -0.700) 26.425 11.930 ( 10.104 0.248 13.520) 16.880 11.994 ( 8.391 -0.146 11.947) 14.600 12.103 ( 4.956 -6.779 14.187) 16.486 12.237 ( -2.920 -14.611 12.455) 19.421 13.119 ( 6.232 14.681 8.813) 18.222 13.265 ( -5.949 14.569 14.533) 21.422 13.425 ( 5.033 -17.378 7.795) 19.700 13.545 ( -5.015 -14.987 13.516) 20.796 13.825 ( 15.079 3.633 10.229) 18.580 13.890 ( 11.935 -3.549 9.172) 15.465 14.096 ( -10.182 1.055 7.283) 12.563 14.118 ( -9.074 -1.269 6.680) 11.339 15.263 ( 4.610 6.852 -18.101) 19.896 15.327 ( 7.526 0.131 -20.446) 21.787 15.433 ( -11.712 10.738 -21.221) 26.510 15.564 ( -15.199 -3.246 -23.941) 28.543 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 0.000 0.000 26.364) 26.364 2.735 ( 0.000 0.000 21.082) 21.082 3.060 ( 0.000 0.000 -9.684) 9.684 3.135 ( 0.000 0.000 -8.554) 8.554 3.138 ( 0.000 0.000 1.415) 1.415 3.208 ( 0.000 0.000 -15.302) 15.302 3.482 ( 0.000 0.000 0.855) 0.855 3.632 ( 0.000 0.000 -11.542) 11.542 3.832 ( 0.000 0.000 6.631) 6.631 3.905 ( 0.000 0.000 0.786) 0.786 4.064 ( 0.000 0.000 1.066) 1.066 4.100 ( 0.000 0.000 -1.307) 1.307 4.471 ( 0.000 0.000 5.091) 5.091 4.559 ( 0.000 0.000 8.612) 8.612 4.651 ( 0.000 0.000 -11.107) 11.107 4.721 ( 0.000 0.000 -7.940) 7.940 5.001 ( 0.000 0.000 12.828) 12.828 5.226 ( 0.000 0.000 -7.521) 7.521 5.387 ( 0.000 0.000 6.234) 6.234 5.406 ( 0.000 0.000 -0.883) 0.883 5.678 ( 0.000 0.000 25.061) 25.061 5.876 ( 0.000 0.000 6.898) 6.898 5.919 ( 0.000 0.000 3.648) 3.648 6.011 ( 0.000 0.000 -5.976) 5.976 6.084 ( 0.000 0.000 -5.116) 5.116 6.467 ( 0.000 0.000 -34.906) 34.906 7.010 ( 0.000 0.000 13.853) 13.853 7.337 ( 0.000 0.000 -17.449) 17.449 7.597 ( 0.000 0.000 8.672) 8.672 7.643 ( 0.000 0.000 4.032) 4.032 7.940 ( 0.000 0.000 5.020) 5.020 8.079 ( 0.000 0.000 -6.986) 6.986 8.163 ( 0.000 0.000 15.416) 15.416 8.324 ( 0.000 0.000 5.711) 5.711 8.418 ( 0.000 0.000 -3.307) 3.307 8.433 ( 0.000 0.000 -7.701) 7.701 8.768 ( 0.000 0.000 12.401) 12.401 8.841 ( 0.000 0.000 0.073) 0.073 8.905 ( 0.000 0.000 -4.613) 4.613 9.158 ( 0.000 0.000 -21.587) 21.587 9.855 ( 0.000 0.000 18.623) 18.623 9.884 ( 0.000 0.000 21.931) 21.931 10.193 ( 0.000 0.000 -13.188) 13.188 10.319 ( 0.000 0.000 -18.675) 18.675 11.357 ( 0.000 0.000 12.435) 12.435 11.638 ( 0.000 0.000 -14.773) 14.773 11.747 ( 0.000 0.000 4.865) 4.865 11.939 ( 0.000 0.000 -13.376) 13.376 12.975 ( 0.000 0.000 16.227) 16.227 13.004 ( 0.000 0.000 16.329) 16.329 13.228 ( 0.000 0.000 10.860) 10.860 13.302 ( 0.000 0.000 -14.928) 14.928 13.344 ( 0.000 0.000 -16.096) 16.096 13.499 ( 0.000 0.000 -14.554) 14.554 14.252 ( 0.000 0.000 1.479) 1.479 14.286 ( 0.000 0.000 -1.805) 1.805 15.378 ( 0.000 0.000 5.953) 5.953 15.426 ( 0.000 0.000 1.578) 1.578 16.105 ( 0.000 0.000 24.062) 24.062 16.568 ( 0.000 0.000 -20.404) 20.404 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -0.323 0.000 23.515) 23.517 2.771 ( 2.384 0.000 22.085) 22.213 3.113 ( -4.376 0.000 -18.119) 18.640 3.136 ( 5.975 0.000 -12.088) 13.484 3.224 ( 7.700 0.000 2.027) 7.962 3.274 ( 8.394 0.000 -3.235) 8.996 3.455 ( -2.555 0.000 1.530) 2.978 3.590 ( -4.586 0.000 -10.206) 11.189 3.855 ( -3.846 0.000 4.138) 5.649 3.874 ( 4.226 0.000 2.224) 4.775 4.085 ( 2.278 0.000 2.008) 3.036 4.150 ( 4.856 0.000 -3.074) 5.747 4.273 ( -4.416 0.000 5.210) 6.830 4.440 ( -5.831 0.000 -10.302) 11.837 4.871 ( 14.794 0.000 5.783) 15.884 5.006 ( 11.734 0.000 -7.586) 13.973 5.021 ( 1.897 0.000 13.452) 13.585 5.254 ( 2.516 0.000 -7.917) 8.307 5.371 ( -1.000 0.000 2.090) 2.317 5.428 ( 4.279 0.000 0.864) 4.366 5.672 ( 0.240 0.000 30.609) 30.610 5.889 ( 1.414 0.000 6.669) 6.817 5.959 ( 3.520 0.000 2.729) 4.454 6.010 ( 0.094 0.000 -4.576) 4.577 6.090 ( 0.279 0.000 -5.932) 5.938 6.475 ( 1.145 0.000 -35.520) 35.538 6.927 ( -8.142 0.000 12.978) 15.321 7.257 ( -7.878 0.000 -18.262) 19.889 7.534 ( -6.981 0.000 10.902) 12.945 7.627 ( -2.102 0.000 3.574) 4.146 7.864 ( -7.167 0.000 2.214) 7.501 7.994 ( -6.475 0.000 -8.858) 10.972 8.180 ( 0.097 0.000 15.346) 15.346 8.265 ( -2.067 0.000 8.251) 8.506 8.371 ( -13.958 0.000 11.172) 17.879 8.438 ( -0.842 0.000 -8.327) 8.369 8.516 ( -7.800 0.000 -9.810) 12.533 8.766 ( -29.456 0.000 -20.308) 35.778 8.889 ( 5.999 0.000 6.340) 8.729 9.022 ( 7.537 0.000 -5.792) 9.505 9.733 ( -13.425 0.000 18.085) 22.524 10.103 ( -19.456 0.000 -17.123) 25.918 10.195 ( 25.366 0.000 18.196) 31.217 10.478 ( 17.933 0.000 -8.845) 19.995 11.490 ( 13.488 0.000 15.420) 20.487 11.793 ( 15.065 0.000 -12.848) 19.800 11.814 ( 7.341 0.000 -0.154) 7.342 11.916 ( -0.058 0.000 -9.743) 9.743 13.013 ( 0.203 0.000 15.125) 15.126 13.060 ( 7.707 0.000 17.138) 18.791 13.321 ( 1.272 0.000 -11.043) 11.116 13.402 ( 9.062 0.000 -15.548) 17.996 13.404 ( 12.079 0.000 4.278) 12.815 13.636 ( 12.854 0.000 -13.682) 18.773 14.254 ( 0.143 0.000 1.547) 1.553 14.290 ( 0.385 0.000 -1.961) 1.998 15.298 ( -7.740 0.000 5.259) 9.358 15.342 ( -8.234 0.000 1.352) 8.345 15.959 ( -14.251 0.000 23.080) 27.125 16.408 ( -15.513 0.000 -19.984) 25.298 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -1.396 0.000 16.168) 16.229 2.784 ( -1.438 0.000 20.584) 20.634 2.978 ( -8.279 0.000 -15.156) 17.270 3.187 ( -3.193 0.000 -17.149) 17.443 3.378 ( -5.171 0.000 3.047) 6.002 3.420 ( 10.509 0.000 4.145) 11.296 3.449 ( -8.456 0.000 -3.180) 9.034 3.479 ( 10.291 0.000 -0.821) 10.323 3.872 ( 8.085 0.000 5.231) 9.629 4.025 ( 10.924 0.000 -7.571) 13.291 4.169 ( 6.376 0.000 4.069) 7.564 4.291 ( 8.840 0.000 -6.316) 10.864 4.325 ( 8.137 0.000 5.815) 10.001 4.470 ( 7.843 0.000 -7.580) 10.907 5.030 ( 1.525 0.000 1.073) 1.865 5.071 ( 2.831 0.000 13.719) 14.009 5.073 ( -3.031 0.000 -2.984) 4.254 5.303 ( 1.464 0.000 -7.715) 7.853 5.422 ( 4.656 0.000 6.902) 8.326 5.541 ( 3.538 0.000 -4.791) 5.955 5.770 ( 10.016 0.000 35.647) 37.027 5.941 ( 4.043 0.000 6.878) 7.978 6.028 ( 2.249 0.000 -0.170) 2.255 6.029 ( 2.076 0.000 -1.528) 2.578 6.096 ( 1.506 0.000 -6.539) 6.710 6.535 ( 5.231 0.000 -34.477) 34.872 6.702 ( -13.174 0.000 8.845) 15.868 7.023 ( -15.004 0.000 -20.487) 25.394 7.320 ( -12.820 0.000 10.918) 16.839 7.495 ( -12.546 0.000 -3.818) 13.114 7.716 ( -4.549 0.000 7.624) 8.878 7.892 ( -20.715 0.000 8.452) 22.373 7.905 ( -2.308 0.000 -9.168) 9.454 8.090 ( -25.136 0.000 -5.728) 25.781 8.250 ( -0.541 0.000 4.950) 4.980 8.339 ( 0.790 0.000 2.624) 2.740 8.382 ( -4.556 0.000 -7.773) 9.010 8.523 ( 1.534 0.000 -9.929) 10.047 9.005 ( 1.857 0.000 7.109) 7.348 9.110 ( -0.860 0.000 -1.778) 1.975 9.471 ( -7.816 0.000 6.939) 10.452 9.652 ( -21.459 0.000 -10.672) 23.966 10.632 ( 14.072 0.000 8.611) 16.498 10.708 ( 4.955 0.000 0.165) 4.957 11.896 ( 26.028 0.000 20.139) 32.910 11.955 ( 10.495 0.000 5.933) 12.055 12.168 ( 22.762 0.000 -12.199) 25.825 12.223 ( 26.693 0.000 -9.360) 28.287 13.014 ( 0.197 0.000 12.381) 12.382 13.250 ( 10.227 0.000 19.533) 22.048 13.280 ( -3.485 0.000 -13.181) 13.634 13.622 ( 11.785 0.000 -16.027) 19.894 13.751 ( 18.723 0.000 4.861) 19.343 13.936 ( 14.949 0.000 -11.441) 18.824 14.257 ( 0.093 0.000 1.857) 1.860 14.303 ( 0.934 0.000 -2.622) 2.784 15.074 ( -14.171 0.000 2.831) 14.451 15.100 ( -15.452 0.000 0.674) 15.467 15.549 ( -25.728 0.000 20.236) 32.732 15.968 ( -27.169 0.000 -19.845) 33.645 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -1.788 0.000 7.542) 7.751 2.741 ( -1.744 0.000 13.054) 13.170 2.803 ( -8.405 0.000 -10.314) 13.305 3.041 ( -9.467 0.000 -14.765) 17.540 3.263 ( -5.247 0.000 3.585) 6.355 3.293 ( -6.319 0.000 -0.168) 6.322 3.608 ( 7.611 0.000 5.318) 9.285 3.651 ( 6.428 0.000 2.077) 6.756 4.135 ( 15.542 0.000 3.103) 15.849 4.275 ( 12.262 0.000 -10.140) 15.912 4.338 ( 9.787 0.000 4.541) 10.789 4.479 ( 8.717 0.000 -7.917) 11.776 4.527 ( 9.446 0.000 6.503) 11.468 4.685 ( 10.587 0.000 -7.150) 12.775 4.977 ( -2.576 0.000 5.325) 5.915 5.066 ( 3.722 0.000 -1.837) 4.150 5.128 ( 2.648 0.000 11.512) 11.812 5.291 ( -2.483 0.000 -3.047) 3.931 5.462 ( -0.804 0.000 7.676) 7.718 5.584 ( 0.333 0.000 -3.629) 3.644 5.844 ( -4.040 0.000 16.670) 17.153 6.018 ( -3.321 0.000 -2.589) 4.211 6.041 ( 3.606 0.000 7.560) 8.376 6.099 ( 5.647 0.000 -0.647) 5.684 6.272 ( 15.170 0.000 5.558) 16.156 6.454 ( -9.850 0.000 0.400) 9.858 6.676 ( 7.812 0.000 -26.350) 27.484 6.693 ( -15.504 0.000 -20.656) 25.827 7.076 ( -10.446 0.000 5.309) 11.718 7.191 ( -15.441 0.000 -4.905) 16.201 7.528 ( -15.143 0.000 1.901) 15.262 7.614 ( -19.536 0.000 -5.706) 20.352 7.681 ( 0.628 0.000 9.160) 9.182 7.883 ( 0.270 0.000 -8.828) 8.832 8.190 ( -7.156 0.000 0.261) 7.161 8.254 ( -7.539 0.000 -5.217) 9.168 8.420 ( 4.833 0.000 6.172) 7.839 8.554 ( 1.115 0.000 -6.079) 6.181 8.868 ( -9.745 0.000 4.615) 10.782 8.983 ( -11.774 0.000 -6.744) 13.568 9.416 ( 0.440 0.000 3.787) 3.813 9.465 ( 1.999 0.000 -0.126) 2.003 10.710 ( -0.984 0.000 2.571) 2.753 10.771 ( -0.214 0.000 -2.106) 2.117 12.313 ( 22.712 0.000 19.033) 29.632 12.503 ( 32.953 0.000 23.991) 40.761 12.669 ( 23.546 0.000 -13.342) 27.063 12.830 ( 32.075 0.000 -4.016) 32.325 13.030 ( 1.779 0.000 8.182) 8.374 13.200 ( -4.037 0.000 -8.580) 9.482 13.452 ( 10.188 0.000 22.454) 24.657 13.849 ( 10.272 0.000 -14.567) 17.825 14.094 ( 14.121 0.000 0.798) 14.144 14.186 ( 9.089 0.000 -6.414) 11.124 14.251 ( -1.102 0.000 2.720) 2.935 14.329 ( 1.661 0.000 -4.597) 4.888 14.717 ( -21.055 0.000 0.739) 21.068 14.766 ( -16.318 0.000 -3.498) 16.689 14.955 ( -31.894 0.000 14.320) 34.961 15.350 ( -32.900 0.000 -22.395) 39.799 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 0.674 0.000 0.288) 0.732 2.661 ( -5.196 0.000 -5.353) 7.460 2.746 ( 2.758 0.000 2.616) 3.802 2.856 ( -7.890 0.000 -7.500) 10.885 3.193 ( -1.510 0.000 2.925) 3.292 3.203 ( -2.539 0.000 1.467) 2.932 3.718 ( 3.148 0.000 5.557) 6.387 3.733 ( 1.646 0.000 4.501) 4.792 4.423 ( 11.037 0.000 -2.461) 11.308 4.471 ( 6.057 0.000 -7.406) 9.567 4.524 ( 7.473 0.000 0.954) 7.534 4.593 ( 1.437 0.000 -5.318) 5.509 4.629 ( 1.583 0.000 5.633) 5.851 4.716 ( -5.818 0.000 -0.941) 5.894 5.108 ( 13.405 0.000 7.192) 15.212 5.175 ( 2.181 0.000 8.164) 8.450 5.228 ( -3.141 0.000 3.694) 4.849 5.249 ( 12.686 0.000 -2.330) 12.898 5.371 ( -9.202 0.000 5.696) 10.823 5.496 ( -9.457 0.000 3.067) 9.942 5.789 ( 2.139 0.000 1.998) 2.927 5.904 ( -7.211 0.000 -4.833) 8.681 6.067 ( 1.549 0.000 0.978) 1.832 6.153 ( -4.754 0.000 -6.661) 8.183 6.378 ( 4.603 0.000 -1.279) 4.778 6.490 ( -5.339 0.000 -11.464) 12.646 6.582 ( 14.292 0.000 7.059) 15.941 6.800 ( 0.479 0.000 -9.875) 9.886 6.882 ( -6.814 0.000 -2.309) 7.194 6.951 ( -6.944 0.000 -6.061) 9.217 7.300 ( -6.106 0.000 -1.690) 6.335 7.326 ( -8.511 0.000 -3.993) 9.401 7.753 ( 6.984 0.000 6.842) 9.777 7.922 ( 0.361 0.000 -3.255) 3.275 7.978 ( -7.729 0.000 -3.123) 8.337 8.090 ( -8.694 0.000 -8.171) 11.932 8.508 ( 3.578 0.000 2.934) 4.628 8.556 ( -1.099 0.000 -1.528) 1.883 8.749 ( -1.707 0.000 0.172) 1.715 8.790 ( -5.795 0.000 -4.215) 7.166 9.471 ( 2.813 0.000 4.368) 5.195 9.497 ( 0.332 0.000 1.866) 1.895 10.697 ( 0.281 0.000 -0.029) 0.282 10.728 ( -2.608 0.000 -2.805) 3.830 12.757 ( 18.666 0.000 19.305) 26.854 12.957 ( 1.638 0.000 3.258) 3.646 13.024 ( 6.862 0.000 6.145) 9.212 13.105 ( -2.820 0.000 -2.821) 3.989 13.236 ( 26.324 0.000 23.849) 35.521 13.432 ( 19.408 0.000 14.550) 24.256 13.731 ( 18.979 0.000 14.919) 24.141 14.024 ( 4.654 0.000 -4.612) 6.552 14.170 ( -8.337 0.000 -0.292) 8.342 14.200 ( -5.576 0.000 7.059) 8.996 14.284 ( -16.276 0.000 -6.696) 17.600 14.292 ( -9.484 0.000 8.817) 12.950 14.379 ( 2.205 0.000 -3.515) 4.149 14.434 ( -1.468 0.000 -21.113) 21.164 14.488 ( -9.581 0.000 -10.058) 13.890 14.719 ( -25.891 0.000 -29.729) 39.423 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 0.000 -6.004 18.383) 19.339 2.718 ( 0.000 -1.817 12.955) 13.082 3.060 ( 0.000 -6.524 -5.519) 8.546 3.093 ( 0.000 -0.335 -2.083) 2.110 3.186 ( 0.000 -0.725 -6.744) 6.783 3.208 ( 0.000 6.557 -5.145) 8.335 3.480 ( 0.000 -3.059 0.741) 3.147 3.536 ( 0.000 -9.031 -4.805) 10.230 3.866 ( 0.000 4.538 4.893) 6.673 3.949 ( 0.000 5.031 -2.429) 5.587 4.114 ( 0.000 4.278 1.514) 4.538 4.166 ( 0.000 5.146 -2.080) 5.550 4.462 ( 0.000 0.909 6.348) 6.412 4.582 ( 0.000 1.747 4.154) 4.506 4.659 ( 0.000 1.721 -9.108) 9.269 4.717 ( 0.000 -0.423 -6.344) 6.358 5.045 ( 0.000 4.411 10.844) 11.707 5.193 ( 0.000 -4.087 -1.977) 4.540 5.349 ( 0.000 -5.918 -0.679) 5.957 5.404 ( 0.000 2.305 -1.649) 2.834 5.624 ( 0.000 -5.179 23.972) 24.525 5.819 ( 0.000 -3.425 1.507) 3.742 5.957 ( 0.000 0.888 5.084) 5.161 6.069 ( 0.000 12.512 8.190) 14.954 6.263 ( 0.000 12.073 -10.145) 15.769 6.480 ( 0.000 1.711 -34.031) 34.074 7.041 ( 0.000 2.906 12.955) 13.277 7.354 ( 0.000 1.565 -16.435) 16.510 7.580 ( 0.000 -1.885 7.514) 7.746 7.612 ( 0.000 -3.152 4.721) 5.676 7.877 ( 0.000 -5.096 3.333) 6.089 7.995 ( 0.000 -7.445 -6.540) 9.910 8.256 ( 0.000 -4.423 4.688) 6.445 8.264 ( 0.000 5.276 7.403) 9.090 8.460 ( 0.000 6.864 6.699) 9.592 8.656 ( 0.000 4.649 7.124) 8.507 8.688 ( 0.000 7.130 -10.318) 12.542 8.724 ( 0.000 -8.375 -3.053) 8.914 8.986 ( 0.000 7.794 4.349) 8.925 9.278 ( 0.000 10.597 -19.161) 21.896 9.826 ( 0.000 -3.292 20.041) 20.310 9.957 ( 0.000 7.136 17.669) 19.056 10.185 ( 0.000 -2.423 -12.115) 12.355 10.316 ( 0.000 0.680 -17.150) 17.163 11.321 ( 0.000 -3.642 11.845) 12.392 11.588 ( 0.000 -5.220 -13.962) 14.906 11.690 ( 0.000 -6.760 4.128) 7.921 11.863 ( 0.000 -8.667 -12.221) 14.982 12.965 ( 0.000 -2.878 14.770) 15.047 12.979 ( 0.000 0.358 15.919) 15.923 13.216 ( 0.000 -0.811 10.854) 10.884 13.284 ( 0.000 -5.064 -15.131) 15.956 13.306 ( 0.000 0.418 -14.606) 14.612 13.485 ( 0.000 -0.860 -14.192) 14.218 14.146 ( 0.000 -10.886 1.641) 11.009 14.183 ( 0.000 -10.501 -1.924) 10.676 15.480 ( 0.000 10.087 7.448) 12.539 15.567 ( 0.000 13.744 -0.668) 13.760 16.125 ( 0.000 1.666 23.183) 23.243 16.572 ( 0.000 0.012 -19.744) 19.744 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 2.198 -3.934 16.941) 17.530 2.762 ( 3.438 -2.041 12.612) 13.231 3.042 ( -2.041 -3.766 -5.830) 7.234 3.164 ( 5.943 -1.352 -4.183) 7.392 3.261 ( 6.849 -1.423 -4.306) 8.215 3.276 ( 6.096 3.787 -4.707) 8.582 3.469 ( -1.416 1.415 0.533) 2.071 3.525 ( -1.627 -5.331 -5.057) 7.526 3.871 ( 0.748 1.001 3.439) 3.659 3.897 ( -3.978 3.952 0.316) 5.616 4.159 ( 3.757 6.388 1.844) 7.637 4.222 ( 1.956 6.327 -1.505) 6.791 4.246 ( -3.371 -1.819 5.663) 6.837 4.439 ( -6.561 0.069 -10.876) 12.702 4.818 ( 7.312 -4.675 4.971) 10.002 4.916 ( 5.585 -5.618 -4.271) 9.000 5.109 ( 4.243 4.830 8.968) 11.034 5.267 ( 8.706 -0.104 -2.359) 9.021 5.324 ( -0.722 -4.444 -0.630) 4.546 5.428 ( 3.103 0.869 -5.224) 6.138 5.631 ( 1.829 -3.002 30.160) 30.364 5.862 ( 3.574 -2.789 1.979) 4.946 5.968 ( 1.042 1.252 3.316) 3.695 6.087 ( 1.666 11.446 6.304) 13.173 6.226 ( -3.296 9.599 -9.128) 13.651 6.498 ( 1.795 2.833 -32.723) 32.895 6.980 ( -5.892 4.806 11.064) 13.425 7.278 ( -7.106 1.938 -16.043) 17.653 7.512 ( -7.403 -2.267 9.348) 12.138 7.602 ( -2.329 -2.545 2.737) 4.404 7.828 ( -5.296 -3.007 0.824) 6.146 7.920 ( -4.224 -7.367 -6.708) 10.822 8.173 ( -4.412 -4.662 6.752) 9.316 8.245 ( -3.602 2.745 5.004) 6.749 8.481 ( -14.618 6.781 7.936) 17.962 8.503 ( -2.331 10.931 8.003) 13.747 8.700 ( -2.681 13.773 -12.343) 18.688 8.730 ( -0.674 -4.679 -2.261) 5.240 8.921 ( -18.040 6.611 -9.034) 21.231 8.963 ( 3.090 -4.125 -6.715) 8.465 9.705 ( -12.560 -2.593 17.214) 21.466 10.060 ( -18.125 -4.229 -16.223) 24.690 10.263 ( 23.417 6.160 16.143) 29.101 10.508 ( 16.710 2.472 -7.216) 18.369 11.454 ( 13.411 -3.639 14.913) 20.383 11.734 ( 13.831 -5.866 -10.010) 18.053 11.777 ( 8.365 -5.085 -1.781) 9.950 11.870 ( 3.394 -5.845 -9.717) 11.837 12.897 ( -2.648 -6.419 13.476) 15.160 13.123 ( 9.315 2.125 14.975) 17.764 13.186 ( -3.883 -8.817 -12.440) 15.734 13.379 ( 13.963 -0.884 7.666) 15.953 13.457 ( 10.158 1.311 -13.554) 16.989 13.633 ( 12.808 -0.125 -13.791) 18.821 14.148 ( 0.167 -10.793 1.763) 10.937 14.188 ( 0.527 -10.226 -2.157) 10.465 15.400 ( -7.828 9.959 6.721) 14.340 15.482 ( -8.332 13.608 -0.918) 15.983 15.986 ( -13.522 2.369 22.170) 26.076 16.420 ( -14.756 0.779 -19.405) 24.391 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 2.160 1.176 11.822) 12.075 2.806 ( 0.117 -0.614 9.688) 9.708 2.976 ( -4.441 2.771 -2.298) 5.716 3.248 ( -0.032 -0.737 -12.376) 12.398 3.349 ( -2.815 -0.149 -0.535) 2.869 3.380 ( -4.367 -1.134 -4.150) 6.131 3.438 ( 7.575 1.125 4.575) 8.921 3.542 ( 5.819 3.728 -3.163) 7.600 3.845 ( 1.977 -0.418 4.311) 4.761 3.927 ( 4.715 -5.725 -1.833) 7.640 4.224 ( 6.641 -1.193 5.309) 8.586 4.310 ( 9.662 2.480 1.244) 10.053 4.385 ( 9.319 4.804 -3.002) 10.905 4.476 ( 9.255 1.542 -7.405) 11.953 4.843 ( -2.289 -12.969 3.012) 13.509 4.909 ( -4.047 -11.973 -3.555) 13.129 5.168 ( 1.377 3.803 11.045) 11.762 5.350 ( 1.719 -0.754 -2.501) 3.127 5.424 ( 5.002 1.552 3.045) 6.058 5.520 ( 4.252 -1.855 -4.046) 6.155 5.749 ( 7.198 -0.943 26.797) 27.763 5.955 ( 5.669 -2.925 -0.088) 6.380 5.990 ( 0.494 1.556 0.257) 1.652 6.117 ( 0.871 5.635 -3.720) 6.809 6.179 ( 1.828 10.909 3.706) 11.665 6.553 ( 3.316 2.907 -25.110) 25.494 6.821 ( -8.798 9.953 2.781) 13.572 7.077 ( -12.444 5.101 -17.668) 22.204 7.300 ( -12.129 -1.920 8.517) 14.944 7.452 ( -12.343 -4.118 -3.287) 13.421 7.717 ( -4.077 0.318 6.555) 7.726 7.888 ( -0.440 -1.709 -8.186) 8.374 7.947 ( -18.736 4.661 6.520) 20.378 8.084 ( -15.705 -3.116 -3.130) 16.314 8.217 ( -7.782 2.725 3.463) 8.943 8.353 ( -10.207 1.732 -9.476) 14.035 8.524 ( 1.362 13.963 6.330) 15.391 8.716 ( -0.179 15.416 -9.477) 18.098 8.937 ( 4.990 -6.771 6.687) 10.745 9.049 ( 0.572 -5.268 -3.405) 6.298 9.435 ( -10.255 -2.683 7.640) 13.067 9.620 ( -21.715 -2.960 -10.487) 24.295 10.671 ( 13.052 3.520 7.383) 15.403 10.727 ( 5.248 1.415 0.915) 5.512 11.850 ( 24.954 -4.863 19.482) 32.030 11.938 ( 11.939 -3.097 6.325) 13.861 12.120 ( 23.528 -6.222 -8.914) 25.918 12.187 ( 24.319 -4.237 -10.562) 26.850 12.866 ( -0.234 -8.512 10.221) 13.303 13.097 ( -4.196 -13.598 -11.827) 18.503 13.344 ( 11.219 5.565 17.216) 21.289 13.667 ( 11.158 1.216 -13.021) 17.191 13.731 ( 17.710 -1.990 5.367) 18.612 13.925 ( 14.467 -1.092 -11.609) 18.581 14.152 ( 0.282 -10.352 2.223) 10.592 14.205 ( 1.292 -9.198 -3.021) 9.767 15.174 ( -14.097 9.705 4.109) 17.601 15.237 ( -15.618 13.388 -1.667) 20.639 15.600 ( -24.047 4.564 19.083) 31.036 16.003 ( -25.746 2.896 -19.327) 32.323 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 2.021 7.027 4.408) 8.538 2.777 ( -1.966 2.857 4.574) 5.740 2.870 ( -5.608 7.694 1.032) 9.577 3.132 ( -9.632 8.028 -15.563) 19.986 3.251 ( -3.963 -1.033 3.122) 5.150 3.275 ( -5.270 -0.010 1.676) 5.530 3.600 ( 6.932 -1.384 3.976) 8.110 3.663 ( 4.668 0.935 -0.387) 4.777 3.999 ( 11.565 -9.177 2.867) 15.039 4.085 ( 10.470 -11.840 -2.950) 16.078 4.411 ( 9.695 -0.954 5.303) 11.092 4.520 ( 8.899 -1.505 1.302) 9.118 4.565 ( 5.352 1.283 -4.765) 7.280 4.657 ( 1.432 -2.452 -7.088) 7.635 4.834 ( 8.365 -8.264 5.361) 12.923 4.899 ( 6.224 -10.011 -0.861) 11.820 5.177 ( -0.534 1.901 11.877) 12.040 5.348 ( -1.528 1.682 -2.625) 3.472 5.470 ( -0.200 0.646 3.009) 3.084 5.582 ( 1.000 -0.301 -3.522) 3.674 5.764 ( -4.365 -6.317 16.146) 17.879 5.962 ( -3.711 -3.156 -5.519) 7.361 6.026 ( 3.282 -2.509 1.730) 4.478 6.185 ( 4.885 4.014 -8.687) 10.744 6.378 ( 14.721 11.589 13.040) 22.827 6.546 ( -4.677 4.673 -2.634) 7.117 6.646 ( -12.183 7.580 -10.734) 17.919 6.883 ( -1.118 12.381 -21.766) 25.066 7.077 ( -8.929 -0.066 2.595) 9.299 7.171 ( -14.107 -1.516 -4.639) 14.928 7.554 ( -13.106 2.157 4.916) 14.163 7.670 ( -18.270 5.020 -5.418) 19.707 7.718 ( -1.569 4.242 5.717) 7.289 7.887 ( 0.544 0.509 -8.674) 8.706 8.134 ( -5.279 -3.173 1.821) 6.422 8.210 ( -7.238 -2.763 -5.050) 9.248 8.583 ( 4.063 13.804 5.868) 15.540 8.708 ( -0.637 9.261 -5.399) 10.739 8.879 ( -9.155 5.777 2.150) 11.037 8.955 ( -9.065 -1.707 -4.728) 10.365 9.345 ( -1.375 -6.734 3.017) 7.506 9.387 ( 0.907 -7.804 -0.009) 7.856 10.744 ( -0.375 2.823 2.709) 3.930 10.804 ( 0.241 2.845 -1.984) 3.477 12.300 ( 21.608 -3.712 17.106) 27.808 12.411 ( 28.066 -10.683 19.762) 35.949 12.592 ( 20.794 -12.737 -3.261) 24.602 12.737 ( 27.676 -8.927 -4.548) 29.434 12.909 ( 5.872 -2.111 3.460) 7.135 13.019 ( -3.053 -12.485 -7.048) 14.659 13.571 ( 11.742 7.529 17.832) 22.639 13.865 ( 8.446 -1.161 -9.373) 12.670 14.056 ( 13.025 -3.737 2.745) 13.825 14.142 ( 1.752 -7.213 0.626) 7.449 14.183 ( 7.054 -3.397 -3.959) 8.773 14.240 ( 2.178 -7.437 -4.534) 8.978 14.852 ( -17.610 10.871 -1.712) 20.766 14.870 ( -19.488 12.624 -3.251) 23.445 15.060 ( -27.685 8.933 12.003) 31.469 15.422 ( -30.532 6.221 -21.339) 37.766 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 0.511 9.828 1.445) 9.946 2.758 ( -2.499 10.030 -2.536) 10.643 2.804 ( 3.164 6.109 0.997) 6.951 2.937 ( -8.787 8.706 -9.441) 15.561 3.194 ( -1.400 0.536 2.822) 3.195 3.200 ( -2.013 0.731 2.346) 3.176 3.702 ( 3.041 -1.967 3.818) 5.263 3.721 ( 1.064 -1.267 2.503) 3.000 4.245 ( 11.759 -13.196 1.952) 17.783 4.307 ( 10.325 -14.152 -1.665) 17.597 4.454 ( -6.355 -9.685 0.180) 11.585 4.501 ( -7.226 -10.116 -3.217) 12.841 4.674 ( 6.390 -2.369 2.982) 7.439 4.711 ( 3.658 4.004 -1.612) 5.658 5.066 ( 6.261 -5.276 4.298) 9.247 5.085 ( 6.461 -5.193 2.436) 8.639 5.170 ( 4.179 1.421 11.419) 12.243 5.351 ( -0.430 0.689 5.859) 5.915 5.388 ( -2.919 4.209 -6.980) 8.658 5.530 ( -6.405 2.288 -3.298) 7.559 5.741 ( 3.838 -4.768 4.590) 7.650 5.858 ( -5.950 -3.875 -3.570) 7.948 6.096 ( 3.638 -2.251 -0.261) 4.287 6.222 ( -5.833 0.072 -11.334) 12.747 6.417 ( -1.866 7.336 -2.508) 7.974 6.448 ( -2.397 2.908 -5.756) 6.880 6.674 ( 10.579 8.072 8.832) 15.972 6.860 ( -8.423 3.816 -4.079) 10.106 6.973 ( -0.109 6.097 -5.495) 8.209 6.992 ( -0.912 7.510 -7.851) 10.903 7.353 ( -5.154 5.271 -0.064) 7.373 7.394 ( -8.754 6.786 -3.759) 11.697 7.765 ( 5.866 1.581 5.811) 8.407 7.924 ( -0.774 0.623 -2.044) 2.272 7.959 ( -5.676 -1.626 -4.106) 7.192 8.066 ( -7.261 -1.682 -7.330) 10.454 8.667 ( 3.421 11.684 2.282) 12.387 8.703 ( 1.263 3.347 -2.166) 4.182 8.727 ( -4.687 6.797 1.012) 8.318 8.787 ( -6.125 7.066 -4.291) 10.289 9.384 ( 2.666 -8.859 4.387) 10.239 9.411 ( 0.228 -8.906 1.906) 9.110 10.740 ( 0.511 3.810 0.208) 3.850 10.770 ( -2.272 3.730 -2.474) 5.019 12.677 ( 11.720 -16.246 11.802) 23.250 12.726 ( 4.306 -25.874 4.076) 26.545 12.958 ( 4.248 -4.352 4.826) 7.764 13.021 ( 2.119 5.137 2.852) 6.245 13.085 ( 21.352 -12.479 19.470) 31.476 13.234 ( 12.724 -17.149 9.407) 23.335 13.865 ( 17.633 8.318 13.243) 23.569 14.009 ( 5.294 -2.708 0.848) 6.007 14.131 ( -0.231 -3.452 3.724) 5.083 14.181 ( -0.573 -2.802 4.335) 5.194 14.245 ( -5.107 -3.970 3.763) 7.484 14.276 ( -4.625 -5.181 2.804) 7.489 14.491 ( -9.646 16.505 -12.437) 22.807 14.552 ( -10.017 11.220 -13.589) 20.270 14.646 ( -7.319 13.034 -11.102) 18.620 14.849 ( -23.155 10.500 -25.529) 36.030 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 0.000 -0.651 9.937) 9.959 2.676 ( 0.000 -2.444 -1.382) 2.808 2.956 ( 0.000 -4.024 6.737) 7.848 3.057 ( 0.000 -3.208 0.209) 3.215 3.173 ( 0.000 -1.249 -6.540) 6.658 3.256 ( 0.000 -3.345 -13.123) 13.543 3.371 ( 0.000 -5.643 4.533) 7.238 3.378 ( 0.000 -5.751 3.346) 6.653 3.973 ( 0.000 4.665 3.684) 5.944 4.025 ( 0.000 1.547 -2.248) 2.729 4.225 ( 0.000 8.353 2.996) 8.874 4.260 ( 0.000 5.691 1.366) 5.852 4.556 ( 0.000 8.190 0.956) 8.245 4.594 ( 0.000 -0.106 -2.556) 2.559 4.705 ( 0.000 -0.927 -3.025) 3.164 4.725 ( 0.000 3.751 -5.501) 6.658 5.105 ( 0.000 -3.960 2.102) 4.483 5.147 ( 0.000 5.893 5.308) 7.932 5.204 ( 0.000 -8.787 1.574) 8.927 5.409 ( 0.000 -4.234 -9.658) 10.546 5.556 ( 0.000 0.227 28.880) 28.881 5.749 ( 0.000 -4.180 5.640) 7.021 6.073 ( 0.000 10.920 5.411) 12.187 6.309 ( 0.000 9.837 -4.764) 10.930 6.480 ( 0.000 11.029 -7.620) 13.405 6.575 ( 0.000 10.961 -23.213) 25.671 7.091 ( 0.000 1.090 14.801) 14.841 7.392 ( 0.000 2.598 -11.453) 11.744 7.511 ( 0.000 -6.186 4.432) 7.610 7.536 ( 0.000 -4.319 2.931) 5.220 7.771 ( 0.000 -6.548 -2.480) 7.002 7.821 ( 0.000 -10.500 -4.862) 11.571 8.193 ( 0.000 -1.925 5.818) 6.128 8.277 ( 0.000 -2.256 -1.013) 2.473 8.448 ( 0.000 -8.385 -2.094) 8.643 8.464 ( 0.000 -10.974 -1.778) 11.117 8.881 ( 0.000 23.941 14.684) 28.086 9.118 ( 0.000 18.828 11.918) 22.283 9.193 ( 0.000 19.631 -8.504) 21.394 9.495 ( 0.000 10.779 -13.926) 17.611 9.750 ( 0.000 -3.471 13.270) 13.717 10.072 ( 0.000 -9.360 -10.617) 14.154 10.098 ( 0.000 6.554 12.984) 14.544 10.332 ( 0.000 -0.837 -11.284) 11.315 11.233 ( 0.000 -5.490 9.868) 11.292 11.444 ( 0.000 -10.808 -9.819) 14.602 11.496 ( 0.000 -12.319 1.205) 12.378 11.625 ( 0.000 -14.886 -11.171) 18.612 12.952 ( 0.000 2.044 11.995) 12.168 12.991 ( 0.000 0.988 14.955) 14.988 13.217 ( 0.000 1.519 10.565) 10.674 13.225 ( 0.000 -0.310 -12.698) 12.702 13.314 ( 0.000 0.314 -14.081) 14.084 13.479 ( 0.000 0.369 -13.800) 13.805 13.880 ( 0.000 -16.576 2.280) 16.732 13.935 ( 0.000 -14.802 -3.225) 15.149 15.707 ( 0.000 13.112 10.698) 16.923 15.873 ( 0.000 17.582 -4.952) 18.266 16.143 ( 0.000 -0.390 20.792) 20.796 16.544 ( 0.000 -3.630 -17.597) 17.968 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 4.444 -0.720 9.016) 10.078 2.725 ( 4.074 -1.820 -3.055) 5.408 2.957 ( 0.925 -3.724 7.891) 8.774 3.147 ( 5.934 -0.633 -2.244) 6.376 3.212 ( 3.281 -3.939 -5.502) 7.520 3.281 ( 4.804 -2.801 -7.198) 9.096 3.430 ( 4.614 -4.056 3.801) 7.224 3.470 ( 6.843 -2.456 0.634) 7.298 3.941 ( -2.521 5.648 2.543) 6.687 3.978 ( -4.197 3.698 -1.918) 5.914 4.221 ( -5.026 2.161 9.091) 10.610 4.299 ( 1.894 7.264 2.804) 8.014 4.363 ( -0.362 7.656 -2.023) 7.927 4.449 ( -8.420 1.020 -10.974) 13.870 4.719 ( -1.968 -5.881 2.650) 6.744 4.794 ( -2.660 -7.305 -5.130) 9.314 5.176 ( 5.096 0.797 4.372) 6.761 5.195 ( 1.558 -6.377 6.114) 8.971 5.277 ( 9.112 0.730 0.188) 9.143 5.447 ( 2.961 0.052 -9.390) 9.846 5.613 ( 6.521 1.549 27.153) 27.968 5.798 ( 4.002 -3.577 5.003) 7.337 6.083 ( 0.745 10.034 1.972) 10.253 6.279 ( -3.459 6.303 -10.778) 12.956 6.436 ( -2.432 13.361 -1.736) 13.691 6.616 ( 3.118 11.350 -19.009) 22.358 7.058 ( -2.930 1.876 11.578) 12.089 7.312 ( -6.115 1.338 -8.370) 10.452 7.446 ( -7.116 -5.065 4.952) 10.041 7.542 ( -4.067 -3.560 -3.851) 6.637 7.742 ( -2.080 -9.734 -0.291) 9.958 7.771 ( 0.402 -3.919 -3.578) 5.323 8.127 ( -4.039 0.133 4.625) 6.142 8.258 ( -4.605 -0.503 -6.313) 7.831 8.496 ( 6.925 -10.223 5.968) 13.714 8.553 ( -2.956 -4.505 1.679) 5.644 8.798 ( -7.150 8.427 7.586) 13.405 8.923 ( -7.592 18.538 10.694) 22.708 9.035 ( -21.701 7.679 -11.033) 25.527 9.202 ( -10.261 22.077 -12.323) 27.286 9.675 ( -7.236 1.503 11.920) 14.025 9.961 ( -15.299 -5.691 -14.100) 21.570 10.374 ( 20.459 4.145 11.912) 24.034 10.518 ( 13.524 -3.279 -2.332) 14.110 11.369 ( 12.953 -5.089 13.246) 19.213 11.578 ( 12.804 -11.175 -5.143) 17.756 11.599 ( 7.835 -12.919 -1.997) 15.241 11.699 ( 10.433 -10.448 -12.053) 19.060 12.859 ( -3.840 3.092 9.405) 10.619 13.072 ( -7.008 -0.516 -10.450) 12.592 13.159 ( 10.414 0.011 13.379) 16.954 13.370 ( 12.443 0.313 9.075) 15.404 13.441 ( 8.568 -3.247 -10.892) 14.233 13.638 ( 12.637 0.799 -13.884) 18.791 13.890 ( 0.979 -15.673 2.680) 15.930 13.959 ( 2.473 -12.686 -4.303) 13.622 15.623 ( -8.246 12.747 9.912) 18.131 15.783 ( -8.798 17.141 -5.183) 19.952 16.019 ( -11.980 0.528 19.744) 23.100 16.409 ( -13.085 -2.604 -17.453) 21.968 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 6.726 0.916 6.086) 9.117 2.808 ( 3.669 1.884 -3.369) 5.325 2.990 ( 1.794 -1.896 7.686) 8.118 3.201 ( 1.292 -1.003 -7.138) 7.323 3.332 ( 5.069 -0.387 -0.029) 5.084 3.398 ( 3.017 -1.332 -7.009) 7.746 3.476 ( 0.240 3.287 6.890) 7.638 3.592 ( 4.626 -1.027 -1.908) 5.108 3.894 ( -2.483 4.811 0.850) 5.480 3.902 ( -1.477 4.614 -0.048) 4.845 4.133 ( 2.225 -6.217 9.365) 11.459 4.305 ( -0.322 -3.723 -5.301) 6.485 4.458 ( 8.627 3.062 1.771) 9.324 4.527 ( 10.986 2.395 -2.859) 11.601 4.639 ( -2.857 -6.918 0.917) 7.541 4.703 ( -3.787 -8.945 -4.692) 10.788 5.193 ( 0.529 -1.665 11.986) 12.112 5.297 ( 3.427 -3.872 1.600) 5.412 5.407 ( 3.736 -1.578 4.628) 6.154 5.512 ( 3.359 0.063 -4.675) 5.757 5.751 ( 2.484 1.098 16.424) 16.647 5.884 ( 4.425 -3.359 1.950) 5.888 6.061 ( -4.605 4.302 -11.550) 13.158 6.197 ( -2.485 2.300 -16.063) 16.416 6.450 ( 5.406 16.604 12.166) 21.282 6.685 ( 3.005 11.717 -6.675) 13.816 6.988 ( -3.953 6.708 0.727) 7.819 7.172 ( -7.093 3.889 -10.805) 13.498 7.256 ( -10.328 -2.754 4.388) 11.555 7.359 ( -10.983 -5.481 -4.099) 12.941 7.723 ( -2.567 -0.337 1.893) 3.207 7.817 ( 1.826 -5.512 -5.477) 7.982 8.016 ( -8.440 3.267 2.947) 9.518 8.078 ( -13.264 3.424 -1.064) 13.740 8.298 ( -11.319 4.688 2.043) 12.421 8.434 ( -17.076 5.431 -8.753) 19.942 8.695 ( 0.718 -7.159 5.565) 9.096 8.796 ( -2.920 -7.122 -3.252) 8.356 8.905 ( 4.301 11.438 9.541) 15.503 9.091 ( -2.647 6.719 -6.830) 9.940 9.498 ( -9.604 14.664 1.742) 17.615 9.594 ( -17.326 3.721 -6.936) 19.030 10.699 ( 4.884 -5.667 3.934) 8.452 10.718 ( 10.793 -1.744 3.570) 11.502 11.720 ( 20.625 -8.381 16.118) 27.485 11.786 ( 13.342 -12.686 5.673) 19.265 11.941 ( 19.965 -10.802 -3.008) 22.898 12.054 ( 22.153 -8.987 -9.480) 25.718 12.843 ( 2.878 5.912 3.063) 7.254 12.953 ( -3.242 0.582 -7.448) 8.143 13.404 ( 12.527 0.099 12.568) 17.745 13.597 ( 7.630 -9.596 -5.906) 13.608 13.681 ( 15.396 -2.968 7.845) 17.533 13.907 ( 12.655 -0.290 -12.154) 17.549 13.923 ( 2.690 -12.559 4.068) 13.473 14.040 ( 5.498 -6.695 -6.989) 11.131 15.387 ( -14.613 11.857 7.143) 20.129 15.528 ( -16.104 16.068 -5.893) 23.501 15.679 ( -20.949 3.186 16.311) 26.740 16.039 ( -22.873 0.087 -17.602) 28.862 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 4.977 3.848 2.385) 6.728 2.872 ( 3.398 7.857 -2.059) 8.804 3.000 ( -1.340 3.050 5.995) 6.859 3.212 ( -1.237 2.669 -8.587) 9.077 3.312 ( -5.251 6.072 1.511) 8.169 3.361 ( -3.198 7.924 -1.104) 8.616 3.540 ( 4.700 -4.160 4.247) 7.578 3.663 ( 2.324 -2.262 -4.460) 5.515 3.916 ( 3.640 -0.291 1.914) 4.123 3.919 ( 4.814 -2.762 2.470) 6.075 4.245 ( 3.881 -15.317 3.238) 16.129 4.289 ( -2.007 -17.597 -0.746) 17.727 4.561 ( 2.114 2.175 5.236) 6.051 4.676 ( 5.463 1.375 -3.643) 6.709 4.784 ( 13.491 -1.205 0.765) 13.566 4.798 ( 12.885 -0.704 -1.106) 12.952 5.192 ( -0.762 -0.462 13.403) 13.433 5.336 ( 1.063 -2.353 -0.137) 2.586 5.457 ( 1.886 -2.309 1.273) 3.242 5.562 ( 1.015 -1.832 -4.395) 4.868 5.675 ( -7.280 -2.018 9.785) 12.362 5.896 ( -4.841 -4.912 -7.187) 9.961 5.978 ( -0.964 -0.986 -5.311) 5.487 6.172 ( -1.062 -4.367 -19.309) 19.825 6.647 ( 10.276 15.173 14.529) 23.386 6.686 ( -2.952 10.143 4.553) 11.503 6.836 ( -10.814 9.696 -1.270) 14.580 7.065 ( -7.239 -0.096 -4.323) 8.432 7.115 ( -2.057 8.707 -10.421) 13.735 7.152 ( -5.129 1.305 -5.772) 7.831 7.579 ( -9.712 -0.150 3.973) 10.494 7.718 ( -10.640 -1.399 -7.187) 12.916 7.853 ( -5.040 9.379 1.934) 10.822 7.920 ( -0.469 4.161 -4.973) 6.502 8.127 ( -7.603 2.338 1.512) 8.097 8.197 ( -7.911 2.368 -4.896) 9.600 8.693 ( -2.986 -6.458 0.681) 7.147 8.697 ( -3.831 -4.104 0.336) 5.624 9.022 ( 5.601 1.103 4.665) 7.372 9.079 ( 0.387 -3.255 -1.604) 3.649 9.297 ( -6.749 11.240 2.634) 13.372 9.374 ( -6.582 22.885 -4.629) 24.259 10.747 ( 0.993 -5.623 3.979) 6.960 10.821 ( 0.672 -3.603 -2.450) 4.409 12.084 ( 13.804 -16.236 8.502) 22.945 12.111 ( 13.614 -16.981 6.966) 22.852 12.329 ( 19.966 -12.812 11.242) 26.252 12.512 ( 20.945 -14.683 -3.146) 25.771 12.923 ( 5.322 5.992 3.704) 8.829 13.046 ( 11.871 10.959 -5.433) 17.046 13.657 ( 13.102 0.629 10.314) 16.686 13.729 ( 6.324 -13.193 0.398) 14.636 13.948 ( 8.510 -7.922 5.115) 12.702 13.998 ( 6.217 -5.105 7.674) 11.117 14.123 ( 7.632 -1.978 -8.227) 11.395 14.163 ( 5.836 -1.748 -6.376) 8.819 15.063 ( -16.487 11.125 0.928) 19.911 15.157 ( -19.726 15.076 -7.264) 25.868 15.219 ( -22.927 7.367 8.223) 25.447 15.525 ( -26.824 3.699 -19.111) 33.143 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 2.637 7.517 2.894) 8.475 2.935 ( -2.345 7.894 4.661) 9.462 2.981 ( 4.991 8.602 -6.610) 11.941 3.113 ( -7.001 6.915 -10.803) 14.613 3.266 ( 0.232 8.711 5.418) 10.261 3.295 ( -2.617 10.314 3.492) 11.199 3.635 ( 4.016 -4.938 0.728) 6.406 3.682 ( -0.546 -3.016 -2.363) 3.871 4.025 ( 5.977 -10.381 4.302) 12.728 4.044 ( 5.723 -11.146 2.209) 12.723 4.205 ( -3.394 -14.864 1.794) 15.352 4.239 ( -4.684 -15.485 -1.338) 16.233 4.669 ( 7.238 2.082 6.938) 10.240 4.758 ( 0.243 1.841 0.301) 1.881 4.988 ( 4.914 -3.237 1.642) 6.109 5.013 ( 4.182 -3.408 0.153) 5.396 5.214 ( 5.934 2.692 10.915) 12.712 5.355 ( -2.373 0.809 4.174) 4.869 5.467 ( 1.008 3.633 -9.393) 10.121 5.534 ( -2.035 -3.195 -8.096) 8.938 5.629 ( 4.254 -5.440 7.273) 10.029 5.779 ( -6.909 -3.616 -6.981) 10.466 5.971 ( 1.532 -8.955 -3.666) 9.797 6.090 ( -7.682 -9.883 -14.534) 19.181 6.609 ( -2.059 10.964 -0.188) 11.157 6.626 ( -3.822 10.497 -1.215) 11.237 6.809 ( 1.712 4.923 5.828) 7.819 6.898 ( -7.983 0.288 -2.722) 8.439 7.109 ( 6.549 9.739 -1.564) 11.840 7.194 ( 0.455 11.449 -8.947) 14.538 7.455 ( -1.319 3.807 3.320) 5.220 7.529 ( -7.381 5.377 -3.901) 9.930 7.833 ( 2.699 6.351 2.511) 7.344 7.947 ( -1.295 1.559 -5.849) 6.190 7.957 ( -3.749 2.907 0.454) 4.766 8.057 ( -6.386 1.267 -6.630) 9.292 8.635 ( -1.124 -3.825 0.619) 4.035 8.645 ( -1.956 -4.091 -0.454) 4.557 9.096 ( 1.473 5.633 1.790) 6.092 9.103 ( 1.744 -3.085 2.119) 4.129 9.245 ( -0.046 8.929 2.192) 9.195 9.275 ( -3.207 20.871 -1.450) 21.166 10.766 ( 1.240 -4.378 1.098) 4.681 10.800 ( -1.889 -3.780 -1.949) 4.654 12.251 ( 3.469 -20.161 2.742) 20.640 12.262 ( 2.702 -20.411 2.301) 20.718 12.707 ( 13.953 -20.170 13.083) 27.797 12.799 ( 5.569 -22.943 4.722) 24.077 13.117 ( 11.435 11.233 11.515) 19.736 13.232 ( 2.625 11.929 3.053) 12.590 13.884 ( 9.252 -10.665 7.875) 16.166 13.957 ( 15.479 -1.082 5.705) 16.532 14.030 ( -0.392 -5.398 9.688) 11.097 14.117 ( 5.145 -2.494 7.987) 9.823 14.186 ( -3.003 -1.335 0.497) 3.324 14.220 ( -1.825 -1.574 0.762) 2.528 14.786 ( -8.579 12.180 -9.815) 17.840 14.807 ( -11.826 15.377 -12.666) 23.167 14.873 ( -6.894 10.025 -9.255) 15.287 15.028 ( -19.706 7.565 -21.211) 29.924 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 0.000 3.619 2.145) 4.207 2.624 ( 0.000 -3.403 -4.611) 5.730 2.923 ( 0.000 0.826 9.564) 9.600 2.981 ( 0.000 -4.529 4.606) 6.460 3.133 ( 0.000 -1.922 -8.627) 8.838 3.150 ( 0.000 -4.285 -9.772) 10.671 3.322 ( 0.000 -0.451 3.369) 3.399 3.331 ( 0.000 -0.894 1.870) 2.073 4.016 ( 0.000 0.746 3.988) 4.058 4.025 ( 0.000 -0.542 2.462) 2.521 4.368 ( 0.000 4.775 0.398) 4.792 4.380 ( 0.000 5.174 -0.479) 5.196 4.604 ( 0.000 2.238 0.411) 2.275 4.672 ( 0.000 -3.097 0.081) 3.098 4.699 ( 0.000 5.660 -5.845) 8.136 4.753 ( 0.000 -0.702 -6.275) 6.314 5.058 ( 0.000 -1.729 3.447) 3.856 5.066 ( 0.000 -4.334 5.263) 6.818 5.241 ( 0.000 3.870 -1.091) 4.021 5.309 ( 0.000 -4.502 -4.023) 6.038 5.597 ( 0.000 3.163 22.639) 22.859 5.667 ( 0.000 -4.300 14.514) 15.138 6.293 ( 0.000 9.865 -10.610) 14.487 6.385 ( 0.000 -0.435 -19.673) 19.678 6.692 ( 0.000 12.501 6.742) 14.203 6.845 ( 0.000 8.016 -3.238) 8.645 7.050 ( 0.000 0.871 16.269) 16.292 7.299 ( 0.000 -14.780 0.778) 14.800 7.486 ( 0.000 5.923 -4.725) 7.577 7.515 ( 0.000 3.225 -4.599) 5.617 7.631 ( 0.000 -7.855 -8.227) 11.374 7.632 ( 0.000 -9.206 -5.113) 10.531 8.182 ( 0.000 0.409 5.423) 5.438 8.215 ( 0.000 -3.330 3.809) 5.060 8.325 ( 0.000 -2.985 -4.506) 5.405 8.336 ( 0.000 -3.324 -7.490) 8.194 9.343 ( 0.000 10.269 17.633) 20.405 9.362 ( 0.000 23.640 17.222) 29.248 9.526 ( 0.000 -5.588 12.879) 14.039 9.623 ( 0.000 12.664 -2.223) 12.858 9.834 ( 0.000 9.692 -17.829) 20.293 9.871 ( 0.000 -7.279 -10.552) 12.819 10.147 ( 0.000 -1.621 5.355) 5.595 10.228 ( 0.000 -9.854 -5.786) 11.427 11.130 ( 0.000 -3.704 6.039) 7.084 11.198 ( 0.000 -11.611 -0.927) 11.648 11.349 ( 0.000 -1.568 -5.182) 5.414 11.413 ( 0.000 -7.442 -10.775) 13.095 13.004 ( 0.000 1.947 12.454) 12.605 13.011 ( 0.000 0.806 14.193) 14.215 13.264 ( 0.000 3.418 -11.490) 11.987 13.301 ( 0.000 3.604 -3.274) 4.869 13.320 ( 0.000 4.849 -2.319) 5.375 13.509 ( 0.000 1.703 -9.841) 9.987 13.572 ( 0.000 -13.436 1.909) 13.570 13.675 ( 0.000 -12.004 -6.846) 13.819 15.933 ( 0.000 10.448 14.297) 17.708 16.078 ( 0.000 -4.278 16.197) 16.753 16.196 ( 0.000 13.906 -8.072) 16.079 16.423 ( 0.000 -9.496 -14.031) 16.943 ======================= Grid point 280 (97/100) ======================= q-point: ( 0.11 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 3.943 3.070 2.463) 5.571 2.665 ( 4.054 -4.554 -4.950) 7.853 2.969 ( 3.945 5.081 8.284) 10.489 3.099 ( 7.076 -7.282 2.057) 10.360 3.152 ( 4.418 1.089 -7.051) 8.392 3.207 ( 6.488 -4.267 -6.380) 10.050 3.389 ( 5.715 -0.205 3.632) 6.775 3.414 ( 6.353 -2.568 0.756) 6.894 4.014 ( -0.523 1.740 4.153) 4.533 4.020 ( -0.771 0.962 2.788) 3.048 4.319 ( -7.589 6.961 3.637) 10.921 4.408 ( 0.059 -0.132 -2.278) 2.282 4.463 ( -6.893 5.712 -0.749) 8.984 4.518 ( -8.110 6.574 -5.936) 12.009 4.599 ( -5.839 -6.619 0.841) 8.866 4.656 ( -7.031 -7.291 -4.896) 11.250 5.105 ( 2.818 -1.999 7.519) 8.275 5.129 ( 4.473 -3.626 4.412) 7.254 5.344 ( 6.640 4.797 0.754) 8.226 5.420 ( 5.901 -2.933 -5.512) 8.591 5.666 ( 7.007 3.480 18.916) 20.470 5.732 ( 5.447 -3.539 11.540) 13.243 6.264 ( -3.477 7.200 -14.456) 16.520 6.329 ( -5.477 -0.281 -20.528) 21.248 6.694 ( 1.041 14.897 11.068) 18.588 6.899 ( 5.092 9.516 -4.918) 11.861 7.001 ( -3.703 -1.462 16.200) 16.682 7.258 ( -3.183 -12.449 -1.397) 12.925 7.375 ( -7.786 2.416 -1.436) 8.278 7.461 ( -10.524 -5.463 -8.537) 14.611 7.634 ( 5.870 0.368 -1.527) 6.076 7.695 ( 3.634 -4.420 -7.123) 9.137 8.168 ( -1.498 3.777 2.413) 4.725 8.242 ( -1.334 -2.349 -2.961) 4.008 8.341 ( 4.298 -3.022 1.602) 5.493 8.408 ( 4.213 -7.795 -3.540) 9.542 8.962 ( -23.629 8.702 9.758) 27.006 9.078 ( -26.260 -2.385 2.840) 26.521 9.323 ( -11.088 16.930 6.954) 21.400 9.474 ( -19.530 2.523 -6.274) 20.668 9.876 ( 8.833 17.074 0.012) 19.224 9.924 ( -3.693 5.117 -6.342) 8.946 10.331 ( 9.602 -11.228 3.613) 15.209 10.355 ( 11.142 -10.400 1.783) 15.346 11.286 ( 13.089 -2.845 10.094) 16.772 11.332 ( 10.821 -9.454 4.387) 15.024 11.465 ( 12.607 -0.963 -8.116) 15.024 11.535 ( 12.969 -7.005 -11.771) 18.863 12.982 ( 0.300 8.503 7.960) 11.651 13.117 ( 7.822 -4.812 10.729) 14.123 13.152 ( -5.998 7.903 -8.646) 13.160 13.319 ( 0.362 -8.550 -8.589) 12.125 13.425 ( 9.856 5.476 9.790) 14.932 13.600 ( 5.063 -12.265 4.134) 13.898 13.679 ( 11.110 1.945 -11.509) 16.114 13.767 ( 8.133 -7.313 -9.492) 14.482 15.839 ( -9.124 9.831 13.429) 18.980 15.972 ( -10.355 -3.724 15.523) 19.028 16.095 ( -9.861 13.443 -8.550) 18.737 16.307 ( -11.296 -8.546 -14.086) 19.976 ======================= Grid point 281 (98/100) ======================= q-point: ( 0.22 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 8.026 2.844 2.597) 8.902 2.786 ( 7.576 -4.246 -3.872) 9.509 3.041 ( 2.884 7.335 3.604) 8.666 3.166 ( 2.848 -4.352 -7.620) 9.225 3.335 ( 8.286 1.420 1.574) 8.553 3.374 ( 7.742 -1.497 -2.725) 8.343 3.495 ( 3.819 -0.688 4.234) 5.743 3.526 ( 3.661 -3.727 1.533) 5.445 3.973 ( -2.674 2.455 4.104) 5.479 3.992 ( -2.184 1.477 3.737) 4.573 4.098 ( -9.877 4.286 2.678) 11.095 4.204 ( -11.572 -6.064 -4.886) 13.949 4.505 ( 5.758 2.944 2.850) 7.067 4.552 ( 6.436 0.266 -2.212) 6.811 4.586 ( 3.258 -1.255 -2.617) 4.363 4.588 ( 4.652 -3.190 -2.229) 6.065 5.152 ( 1.686 -0.770 10.725) 10.884 5.198 ( 2.536 -5.275 6.760) 8.942 5.433 ( 2.116 3.136 1.513) 4.074 5.489 ( 1.808 -2.403 -1.916) 3.565 5.783 ( 1.127 2.184 10.410) 10.697 5.829 ( 2.727 -2.696 6.235) 7.320 6.136 ( -8.203 3.707 -20.533) 22.419 6.194 ( -6.823 -2.113 -22.707) 23.804 6.764 ( 5.840 15.782 16.562) 23.611 6.922 ( -2.949 7.311 8.766) 11.790 7.043 ( 6.651 1.752 0.751) 6.918 7.193 ( -3.881 -4.599 0.648) 6.052 7.202 ( -8.095 -0.230 -2.361) 8.436 7.250 ( -8.719 -5.505 -8.363) 13.277 7.701 ( -1.383 -0.061 -4.441) 4.652 7.739 ( -1.117 -3.084 -7.528) 8.212 8.110 ( -4.372 6.112 1.489) 7.661 8.155 ( -7.241 3.234 -2.165) 8.220 8.356 ( -7.444 0.751 4.127) 8.545 8.429 ( -1.195 -6.392 -0.210) 6.506 8.599 ( -14.038 0.254 -1.001) 14.076 8.643 ( -7.183 -5.175 -4.408) 9.890 9.055 ( -11.894 3.639 2.986) 12.791 9.120 ( -14.684 -2.456 -3.322) 15.254 9.844 ( -3.146 24.336 5.634) 25.177 9.969 ( 1.216 25.279 -4.811) 25.762 10.427 ( 1.830 -20.022 6.664) 21.181 10.541 ( 4.787 -18.670 -2.975) 19.502 11.594 ( 15.666 -4.688 8.750) 18.546 11.600 ( 17.241 -3.683 11.220) 20.897 11.815 ( 18.569 -1.322 -3.047) 18.864 11.889 ( 19.617 -7.798 -7.067) 22.262 13.031 ( 3.655 13.030 1.258) 13.592 13.090 ( 2.434 11.497 -4.188) 12.475 13.301 ( 9.431 -11.350 3.527) 15.172 13.351 ( 3.648 -14.094 -1.923) 14.685 13.662 ( 12.316 1.618 11.556) 16.966 13.738 ( 8.576 -6.719 9.524) 14.470 13.920 ( 11.589 1.476 -12.207) 16.896 13.959 ( 9.973 -2.768 -10.781) 14.945 15.580 ( -15.955 8.217 10.451) 20.767 15.678 ( -18.046 -1.977 12.910) 22.276 15.812 ( -17.669 12.078 -9.876) 23.571 15.985 ( -19.967 -6.092 -14.562) 25.453 ======================= Grid point 282 (99/100) ======================= q-point: ( 0.33 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 8.015 4.148 2.308) 9.316 2.945 ( 7.333 -1.657 -1.988) 7.776 3.078 ( 0.681 7.642 1.191) 7.764 3.209 ( 0.274 -4.917 -9.486) 10.688 3.415 ( 0.891 5.656 4.356) 7.194 3.484 ( 3.290 3.278 -2.062) 5.082 3.531 ( -0.198 2.436 4.087) 4.762 3.567 ( 1.776 -5.057 2.221) 5.801 3.933 ( -1.455 0.179 3.512) 3.805 3.961 ( -1.332 -1.421 -0.149) 1.953 3.979 ( -2.174 -5.771 2.820) 6.781 4.025 ( -4.991 -7.484 -1.728) 9.160 4.645 ( 6.368 6.510 4.810) 10.299 4.708 ( 8.860 2.492 -1.201) 9.282 4.754 ( 11.326 -2.793 0.417) 11.673 4.764 ( 10.332 -3.809 -0.002) 11.012 5.179 ( 1.590 0.648 11.160) 11.292 5.249 ( 3.185 -6.076 5.360) 8.706 5.450 ( 0.135 2.297 0.357) 2.328 5.511 ( 0.549 -3.510 -1.623) 3.906 5.696 ( -7.532 3.638 0.634) 8.389 5.788 ( -5.460 -5.856 -3.184) 8.616 6.000 ( -5.732 2.903 -14.032) 15.433 6.076 ( -5.462 -5.052 -18.622) 20.053 6.851 ( -3.556 5.991 7.308) 10.097 6.859 ( -0.823 5.736 8.977) 10.685 6.978 ( -9.203 4.931 -1.140) 10.503 7.042 ( -9.123 -2.463 -2.630) 9.809 7.167 ( 2.914 5.269 2.335) 6.458 7.256 ( 7.006 0.353 -1.682) 7.214 7.566 ( -8.391 1.132 -6.919) 10.935 7.643 ( -6.232 -5.324 -10.552) 13.362 8.011 ( -4.363 5.857 0.196) 7.306 8.026 ( -3.701 4.548 -1.357) 6.019 8.201 ( -7.969 6.190 1.693) 10.232 8.279 ( -9.978 2.637 -5.664) 11.773 8.542 ( 3.364 -5.543 2.980) 7.136 8.591 ( 0.123 -6.449 -1.583) 6.642 8.906 ( -4.589 -5.678 1.969) 7.562 8.921 ( -4.496 -7.013 0.439) 8.342 9.808 ( -0.321 33.471 6.893) 34.174 9.952 ( -2.392 32.457 -6.307) 33.150 10.442 ( 0.424 -25.582 6.252) 26.339 10.564 ( -1.501 -24.319 -4.905) 24.854 11.907 ( 13.733 -1.322 7.464) 15.686 11.939 ( 14.089 -1.935 5.575) 15.275 12.134 ( 12.859 -5.492 6.175) 15.286 12.235 ( 12.929 -13.298 -1.679) 18.623 13.132 ( 8.762 14.592 6.928) 18.377 13.283 ( 13.564 12.896 -5.290) 19.449 13.441 ( 7.504 -15.545 5.388) 18.083 13.545 ( 12.972 -11.682 -2.246) 17.601 13.879 ( 8.825 0.684 12.781) 15.547 13.922 ( 8.718 -3.318 11.816) 15.054 14.116 ( 7.241 0.658 -8.343) 11.066 14.136 ( 6.741 -1.270 -7.499) 10.163 15.231 ( -17.308 6.330 3.786) 18.814 15.285 ( -19.378 0.711 6.191) 20.356 15.411 ( -21.063 10.187 -12.083) 26.333 15.535 ( -23.533 -2.965 -16.037) 28.632 ======================= Grid point 283 (100/100) ======================= q-point: ( 0.44 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 4.391 6.585 1.335) 8.026 3.048 ( 1.577 3.350 2.050) 4.232 3.089 ( 2.094 4.171 -3.865) 6.060 3.164 ( -3.906 -2.154 -6.638) 7.998 3.437 ( 1.647 7.768 6.108) 10.018 3.478 ( -2.223 7.390 5.645) 9.561 3.566 ( 2.863 -3.486 -2.921) 5.374 3.597 ( 0.359 -5.760 -1.713) 6.020 3.903 ( -0.922 -3.675 3.551) 5.193 3.915 ( -1.508 0.972 2.291) 2.911 3.986 ( 1.207 -10.062 1.242) 10.210 4.000 ( 0.008 -7.098 0.196) 7.101 4.758 ( 4.841 7.209 5.944) 10.524 4.815 ( 0.829 4.542 1.813) 4.961 4.906 ( 3.386 -6.186 2.724) 7.560 4.929 ( 2.643 -5.816 1.117) 6.485 5.270 ( 8.022 3.911 7.418) 11.605 5.365 ( 6.686 -3.722 1.178) 7.743 5.431 ( -2.906 -0.424 2.008) 3.557 5.489 ( -3.239 -3.354 -3.137) 5.620 5.620 ( 3.538 4.862 -4.706) 7.635 5.731 ( 1.084 -4.313 -10.892) 11.765 5.842 ( -9.198 -1.450 -7.110) 11.716 5.920 ( -10.011 -7.619 -13.308) 18.313 6.774 ( -2.180 6.018 -0.261) 6.406 6.776 ( -3.112 5.344 0.036) 6.184 6.848 ( -3.421 -0.122 0.843) 3.526 6.876 ( -5.983 -2.526 -1.962) 6.784 7.297 ( 7.360 9.175 1.602) 11.871 7.377 ( 2.675 5.823 -4.094) 7.604 7.459 ( -1.170 -1.181 0.121) 1.667 7.536 ( -5.023 -4.097 -5.572) 8.548 7.968 ( 0.436 5.684 -0.557) 5.728 8.001 ( 1.646 1.734 -3.506) 4.243 8.041 ( -6.585 5.791 -0.541) 8.785 8.096 ( -7.408 0.920 -5.599) 9.331 8.613 ( 2.891 3.397 2.721) 5.225 8.630 ( 1.745 3.446 1.229) 4.054 8.848 ( -0.742 -13.436 3.734) 13.965 8.869 ( -2.031 -14.105 1.886) 14.374 9.829 ( 2.248 36.298 2.355) 36.444 9.889 ( -3.417 36.039 -3.212) 36.343 10.463 ( 1.804 -27.872 2.222) 28.018 10.513 ( -2.934 -27.053 -2.438) 27.321 12.098 ( 4.927 3.844 3.536) 7.180 12.113 ( 3.436 5.160 1.829) 6.463 12.341 ( 6.944 -17.383 7.044) 20.000 12.388 ( 2.454 -19.555 2.363) 19.849 13.366 ( 11.950 14.664 12.187) 22.503 13.487 ( 2.598 14.728 3.051) 15.264 13.642 ( 11.270 -14.473 11.254) 21.521 13.761 ( 3.521 -14.105 2.876) 14.819 14.043 ( 8.897 2.091 10.852) 14.188 14.080 ( 7.911 -1.852 9.212) 12.283 14.183 ( -1.790 0.507 0.146) 1.867 14.197 ( -1.519 -0.985 0.251) 1.827 14.960 ( -6.987 5.853 -8.275) 12.310 14.992 ( -6.502 2.524 -8.257) 10.808 15.031 ( -13.787 8.116 -14.580) 21.646 15.105 ( -16.439 0.274 -17.537) 24.039 =================== 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 3/34020 10.0 2805.651 6813.187 3458.812 0.000 0.000 0.000 3/34020 20.0 458.057 503.722 518.086 0.000 0.000 -0.000 3/34020 30.0 121.304 129.635 132.185 0.000 0.000 0.000 3/34020 40.0 54.458 58.482 58.196 0.000 0.000 0.000 3/34020 50.0 32.066 34.504 33.769 0.000 0.000 0.000 3/34020 60.0 22.014 23.652 22.994 0.000 0.000 0.000 3/34020 70.0 16.609 17.803 17.298 0.000 0.000 0.000 3/34020 80.0 13.331 14.262 13.889 0.000 0.000 0.000 3/34020 90.0 11.167 11.933 11.657 0.000 0.000 0.000 3/34020 100.0 9.644 10.301 10.095 0.000 0.000 0.000 3/34020 110.0 8.519 9.099 8.944 0.000 0.000 0.000 3/34020 120.0 7.654 8.177 8.059 0.000 0.000 0.000 3/34020 130.0 6.969 7.448 7.356 0.000 0.000 0.000 3/34020 140.0 6.412 6.854 6.783 0.000 0.000 0.000 3/34020 150.0 5.948 6.360 6.304 0.000 0.000 0.000 3/34020 160.0 5.556 5.942 5.898 0.000 0.000 0.000 3/34020 170.0 5.219 5.582 5.548 0.000 0.000 0.000 3/34020 180.0 4.925 5.268 5.242 0.000 0.000 0.000 3/34020 190.0 4.666 4.992 4.971 0.000 0.000 0.000 3/34020 200.0 4.435 4.745 4.729 0.000 0.000 0.000 3/34020 210.0 4.229 4.524 4.512 0.000 0.000 0.000 3/34020 220.0 4.042 4.324 4.316 0.000 0.000 0.000 3/34020 230.0 3.873 4.142 4.137 0.000 0.000 0.000 3/34020 240.0 3.717 3.976 3.973 0.000 0.000 0.000 3/34020 250.0 3.575 3.823 3.822 0.000 0.000 0.000 3/34020 260.0 3.444 3.682 3.683 0.000 0.000 0.000 3/34020 270.0 3.322 3.551 3.553 0.000 0.000 0.000 3/34020 280.0 3.209 3.430 3.433 0.000 0.000 0.000 3/34020 290.0 3.103 3.317 3.321 0.000 0.000 0.000 3/34020 300.0 3.005 3.211 3.216 0.000 0.000 0.000 3/34020 310.0 2.912 3.112 3.118 0.000 0.000 0.000 3/34020 320.0 2.826 3.019 3.025 0.000 0.000 0.000 3/34020 330.0 2.744 2.931 2.938 0.000 0.000 0.000 3/34020 340.0 2.667 2.848 2.856 0.000 0.000 0.000 3/34020 350.0 2.594 2.770 2.778 0.000 0.000 0.000 3/34020 360.0 2.525 2.696 2.704 0.000 0.000 0.000 3/34020 370.0 2.460 2.626 2.635 0.000 0.000 0.000 3/34020 380.0 2.398 2.560 2.568 0.000 0.000 0.000 3/34020 390.0 2.339 2.497 2.505 0.000 0.000 0.000 3/34020 400.0 2.283 2.437 2.445 0.000 0.000 0.000 3/34020 410.0 2.229 2.379 2.388 0.000 0.000 0.000 3/34020 420.0 2.178 2.325 2.334 0.000 0.000 0.000 3/34020 430.0 2.129 2.272 2.281 0.000 0.000 0.000 3/34020 440.0 2.083 2.222 2.231 0.000 0.000 0.000 3/34020 450.0 2.038 2.175 2.184 0.000 0.000 0.000 3/34020 460.0 1.995 2.129 2.138 0.000 0.000 0.000 3/34020 470.0 1.954 2.085 2.094 0.000 0.000 0.000 3/34020 480.0 1.915 2.043 2.052 0.000 0.000 0.000 3/34020 490.0 1.877 2.002 2.011 0.000 0.000 0.000 3/34020 500.0 1.841 1.963 1.972 0.000 0.000 0.000 3/34020 510.0 1.806 1.926 1.935 0.000 0.000 0.000 3/34020 520.0 1.772 1.890 1.899 0.000 0.000 0.000 3/34020 530.0 1.739 1.855 1.864 0.000 0.000 0.000 3/34020 540.0 1.708 1.822 1.830 0.000 0.000 0.000 3/34020 550.0 1.678 1.789 1.798 0.000 0.000 0.000 3/34020 560.0 1.649 1.758 1.767 0.000 0.000 0.000 3/34020 570.0 1.621 1.728 1.737 0.000 0.000 0.000 3/34020 580.0 1.593 1.699 1.707 0.000 0.000 0.000 3/34020 590.0 1.567 1.671 1.679 0.000 0.000 0.000 3/34020 600.0 1.542 1.643 1.652 0.000 0.000 0.000 3/34020 610.0 1.517 1.617 1.626 0.000 0.000 0.000 3/34020 620.0 1.493 1.592 1.600 0.000 0.000 0.000 3/34020 630.0 1.470 1.567 1.575 0.000 0.000 0.000 3/34020 640.0 1.447 1.543 1.551 0.000 0.000 0.000 3/34020 650.0 1.426 1.520 1.528 0.000 0.000 0.000 3/34020 660.0 1.404 1.497 1.505 0.000 0.000 0.000 3/34020 670.0 1.384 1.475 1.483 0.000 0.000 0.000 3/34020 680.0 1.364 1.454 1.462 0.000 0.000 0.000 3/34020 690.0 1.344 1.433 1.441 0.000 0.000 0.000 3/34020 700.0 1.326 1.413 1.421 0.000 0.000 0.000 3/34020 710.0 1.307 1.393 1.401 0.000 0.000 0.000 3/34020 720.0 1.289 1.374 1.382 0.000 0.000 0.000 3/34020 730.0 1.272 1.356 1.363 0.000 0.000 0.000 3/34020 740.0 1.255 1.338 1.345 0.000 0.000 0.000 3/34020 750.0 1.239 1.320 1.328 0.000 0.000 0.000 3/34020 760.0 1.223 1.303 1.310 0.000 0.000 0.000 3/34020 770.0 1.207 1.286 1.294 0.000 0.000 0.000 3/34020 780.0 1.192 1.270 1.277 0.000 0.000 0.000 3/34020 790.0 1.177 1.254 1.261 0.000 0.000 0.000 3/34020 800.0 1.163 1.239 1.246 0.000 0.000 0.000 3/34020 810.0 1.148 1.224 1.231 0.000 0.000 0.000 3/34020 820.0 1.135 1.209 1.216 0.000 0.000 0.000 3/34020 830.0 1.121 1.195 1.202 0.000 0.000 0.000 3/34020 840.0 1.108 1.181 1.187 0.000 0.000 0.000 3/34020 850.0 1.095 1.167 1.174 0.000 0.000 0.000 3/34020 860.0 1.083 1.154 1.160 0.000 0.000 0.000 3/34020 870.0 1.070 1.140 1.147 0.000 0.000 0.000 3/34020 880.0 1.058 1.128 1.134 0.000 0.000 0.000 3/34020 890.0 1.047 1.115 1.122 0.000 0.000 0.000 3/34020 900.0 1.035 1.103 1.109 0.000 0.000 0.000 3/34020 910.0 1.024 1.091 1.097 0.000 0.000 0.000 3/34020 920.0 1.013 1.079 1.085 0.000 0.000 0.000 3/34020 930.0 1.002 1.068 1.074 0.000 0.000 0.000 3/34020 940.0 0.992 1.056 1.063 0.000 0.000 0.000 3/34020 950.0 0.981 1.045 1.052 0.000 0.000 0.000 3/34020 960.0 0.971 1.035 1.041 0.000 0.000 0.000 3/34020 970.0 0.961 1.024 1.030 0.000 0.000 0.000 3/34020 980.0 0.952 1.014 1.020 0.000 0.000 0.000 3/34020 990.0 0.942 1.004 1.010 0.000 0.000 0.000 3/34020 1000.0 0.933 0.994 1.000 0.000 0.000 0.000 3/34020 Thermal conductivity related properties were written into "kappa-m979.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:21:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|