----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:02:19]------------------------- 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 5.887382640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.622353349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.027150050000000 Atomic positions (fractional): *1 O 0.18072447433365 0.42261272065658 0.85822050113193 15.999 2 O 0.31927552566635 0.57738727934342 0.35822050113193 15.999 3 O 0.68072447433365 0.07738727934342 0.64177949886807 15.999 4 O 0.81927552566635 0.92261272065658 0.14177949886807 15.999 5 O 0.81927552566635 0.57738727934342 0.14177949886807 15.999 6 O 0.68072447433365 0.42261272065658 0.64177949886807 15.999 7 O 0.31927552566635 0.92261272065658 0.35822050113193 15.999 8 O 0.18072447433365 0.07738727934342 0.85822050113193 15.999 *9 O 0.07110321503998 0.25000000000000 0.32200148823628 15.999 10 O 0.42889678496002 0.75000000000000 0.82200148823628 15.999 11 O 0.57110321503998 0.25000000000000 0.17799851176372 15.999 12 O 0.92889678496002 0.75000000000000 0.67799851176372 15.999 *13 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 14 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 15 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 16 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 *17 Se 0.01549205478837 0.25000000000000 0.98267626378803 78.960 18 Se 0.48450794521163 0.75000000000000 0.48267626378803 78.960 19 Se 0.51549205478837 0.25000000000000 0.51732373621197 78.960 20 Se 0.98450794521163 0.75000000000000 0.01732373621197 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.887382640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.622353349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.027150050000000 Atomic positions (fractional): *1 O 0.18072447433365 0.42261272065658 0.85822050113193 15.999 > 1 2 O 0.31927552566635 0.57738727934342 0.35822050113193 15.999 > 2 3 O 0.68072447433365 0.07738727934342 0.64177949886807 15.999 > 3 4 O 0.81927552566635 0.92261272065658 0.14177949886807 15.999 > 4 5 O 0.81927552566635 0.57738727934342 0.14177949886807 15.999 > 5 6 O 0.68072447433365 0.42261272065658 0.64177949886807 15.999 > 6 7 O 0.31927552566635 0.92261272065658 0.35822050113193 15.999 > 7 8 O 0.18072447433365 0.07738727934342 0.85822050113193 15.999 > 8 *9 O 0.07110321503998 0.25000000000000 0.32200148823628 15.999 > 9 10 O 0.42889678496002 0.75000000000000 0.82200148823628 15.999 > 10 11 O 0.57110321503998 0.25000000000000 0.17799851176372 15.999 > 11 12 O 0.92889678496002 0.75000000000000 0.67799851176372 15.999 > 12 *13 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 13 14 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 14 15 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 15 16 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 16 *17 Se 0.01549205478837 0.25000000000000 0.98267626378803 78.960 > 17 18 Se 0.48450794521163 0.75000000000000 0.48267626378803 78.960 > 18 19 Se 0.51549205478837 0.25000000000000 0.51732373621197 78.960 > 19 20 Se 0.98450794521163 0.75000000000000 0.01732373621197 78.960 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.774765280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.622353349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.054300100000001 Atomic positions (fractional): *1 O 0.09036223716682 0.42261272065658 0.42911025056597 15.999 > 1 2 O 0.59036223716682 0.42261272065658 0.42911025056597 15.999 > 1 3 O 0.09036223716682 0.42261272065658 0.92911025056597 15.999 > 1 4 O 0.59036223716682 0.42261272065658 0.92911025056597 15.999 > 1 5 O 0.15963776283317 0.57738727934342 0.17911025056597 15.999 > 2 6 O 0.65963776283317 0.57738727934342 0.17911025056597 15.999 > 2 7 O 0.15963776283317 0.57738727934342 0.67911025056597 15.999 > 2 8 O 0.65963776283317 0.57738727934342 0.67911025056597 15.999 > 2 9 O 0.34036223716682 0.07738727934342 0.32088974943403 15.999 > 3 10 O 0.84036223716682 0.07738727934342 0.32088974943403 15.999 > 3 11 O 0.34036223716682 0.07738727934342 0.82088974943403 15.999 > 3 12 O 0.84036223716682 0.07738727934342 0.82088974943403 15.999 > 3 13 O 0.40963776283318 0.92261272065658 0.07088974943403 15.999 > 4 14 O 0.90963776283318 0.92261272065658 0.07088974943403 15.999 > 4 15 O 0.40963776283318 0.92261272065658 0.57088974943403 15.999 > 4 16 O 0.90963776283318 0.92261272065658 0.57088974943403 15.999 > 4 17 O 0.40963776283318 0.57738727934342 0.07088974943403 15.999 > 5 18 O 0.90963776283318 0.57738727934342 0.07088974943403 15.999 > 5 19 O 0.40963776283318 0.57738727934342 0.57088974943403 15.999 > 5 20 O 0.90963776283318 0.57738727934342 0.57088974943403 15.999 > 5 21 O 0.34036223716682 0.42261272065658 0.32088974943403 15.999 > 6 22 O 0.84036223716682 0.42261272065658 0.32088974943403 15.999 > 6 23 O 0.34036223716682 0.42261272065658 0.82088974943403 15.999 > 6 24 O 0.84036223716682 0.42261272065658 0.82088974943403 15.999 > 6 25 O 0.15963776283317 0.92261272065658 0.17911025056597 15.999 > 7 26 O 0.65963776283317 0.92261272065658 0.17911025056597 15.999 > 7 27 O 0.15963776283317 0.92261272065658 0.67911025056597 15.999 > 7 28 O 0.65963776283317 0.92261272065658 0.67911025056597 15.999 > 7 29 O 0.09036223716682 0.07738727934342 0.42911025056597 15.999 > 8 30 O 0.59036223716682 0.07738727934342 0.42911025056597 15.999 > 8 31 O 0.09036223716682 0.07738727934342 0.92911025056597 15.999 > 8 32 O 0.59036223716682 0.07738727934342 0.92911025056597 15.999 > 8 *33 O 0.03555160751999 0.25000000000000 0.16100074411814 15.999 > 9 34 O 0.53555160751999 0.25000000000000 0.16100074411814 15.999 > 9 35 O 0.03555160751999 0.25000000000000 0.66100074411814 15.999 > 9 36 O 0.53555160751999 0.25000000000000 0.66100074411814 15.999 > 9 37 O 0.21444839248001 0.75000000000000 0.41100074411814 15.999 > 10 38 O 0.71444839248001 0.75000000000000 0.41100074411814 15.999 > 10 39 O 0.21444839248001 0.75000000000000 0.91100074411814 15.999 > 10 40 O 0.71444839248001 0.75000000000000 0.91100074411814 15.999 > 10 41 O 0.28555160751999 0.25000000000000 0.08899925588186 15.999 > 11 42 O 0.78555160751999 0.25000000000000 0.08899925588186 15.999 > 11 43 O 0.28555160751999 0.25000000000000 0.58899925588186 15.999 > 11 44 O 0.78555160751999 0.25000000000000 0.58899925588186 15.999 > 11 45 O 0.46444839248001 0.75000000000000 0.33899925588186 15.999 > 12 46 O 0.96444839248001 0.75000000000000 0.33899925588186 15.999 > 12 47 O 0.46444839248001 0.75000000000000 0.83899925588186 15.999 > 12 48 O 0.96444839248001 0.75000000000000 0.83899925588186 15.999 > 12 *49 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 13 50 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 13 51 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 13 52 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 13 53 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 14 54 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 14 55 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 14 56 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 14 57 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 15 58 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 15 59 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 15 60 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 15 61 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 16 62 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 16 63 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 16 64 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 16 *65 Se 0.00774602739419 0.25000000000000 0.49133813189402 78.960 > 17 66 Se 0.50774602739419 0.25000000000000 0.49133813189402 78.960 > 17 67 Se 0.00774602739419 0.25000000000000 0.99133813189402 78.960 > 17 68 Se 0.50774602739419 0.25000000000000 0.99133813189402 78.960 > 17 69 Se 0.24225397260581 0.75000000000000 0.24133813189402 78.960 > 18 70 Se 0.74225397260581 0.75000000000000 0.24133813189402 78.960 > 18 71 Se 0.24225397260581 0.75000000000000 0.74133813189402 78.960 > 18 72 Se 0.74225397260581 0.75000000000000 0.74133813189402 78.960 > 18 73 Se 0.25774602739419 0.25000000000000 0.25866186810598 78.960 > 19 74 Se 0.75774602739419 0.25000000000000 0.25866186810598 78.960 > 19 75 Se 0.25774602739419 0.25000000000000 0.75866186810598 78.960 > 19 76 Se 0.75774602739419 0.25000000000000 0.75866186810598 78.960 > 19 77 Se 0.49225397260581 0.75000000000000 0.00866186810598 78.960 > 20 78 Se 0.99225397260581 0.75000000000000 0.00866186810598 78.960 > 20 79 Se 0.49225397260581 0.75000000000000 0.50866186810598 78.960 > 20 80 Se 0.99225397260581 0.75000000000000 0.50866186810598 78.960 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6072874 0.0000000 0.0000000 0.0000000 4.2318528 0.0000000 0.0000000 0.0000000 4.0868185 -------------------------- Born effective charges -------------------------- 1 O -1.7841840 -0.2241423 0.1671676 -0.7220874 -2.2634444 0.2334639 0.4134402 0.3933663 -1.4667797 2 O -1.7841840 -0.2241423 -0.1671676 -0.7220874 -2.2634444 -0.2334639 -0.4134402 -0.3933663 -1.4667797 3 O -1.7841840 0.2241423 -0.1671676 0.7220874 -2.2634444 0.2334639 -0.4134402 0.3933663 -1.4667797 4 O -1.7841840 0.2241423 0.1671676 0.7220874 -2.2634444 -0.2334639 0.4134402 -0.3933663 -1.4667797 5 O -1.7841840 -0.2241423 0.1671676 -0.7220874 -2.2634444 0.2334639 0.4134402 0.3933663 -1.4667797 6 O -1.7841840 -0.2241423 -0.1671676 -0.7220874 -2.2634444 -0.2334639 -0.4134402 -0.3933663 -1.4667797 7 O -1.7841840 0.2241423 -0.1671676 0.7220874 -2.2634444 0.2334639 -0.4134402 0.3933663 -1.4667797 8 O -1.7841840 0.2241423 0.1671676 0.7220874 -2.2634444 -0.2334639 0.4134402 -0.3933663 -1.4667797 9 O -1.3118311 0.0000000 -0.1090871 0.0000000 -1.4384337 0.0000000 -0.4419415 0.0000000 -2.7176279 10 O -1.3118311 0.0000000 0.1090871 0.0000000 -1.4384337 0.0000000 0.4419415 0.0000000 -2.7176279 11 O -1.3118311 0.0000000 0.1090871 0.0000000 -1.4384337 0.0000000 0.4419415 0.0000000 -2.7176279 12 O -1.3118311 0.0000000 -0.1090871 0.0000000 -1.4384337 0.0000000 -0.4419415 0.0000000 -2.7176279 13 Mg 2.2230064 0.0363085 -0.2085426 -0.1476045 2.2404545 0.4010766 0.1799302 -0.3931438 2.4005831 14 Mg 2.2230064 0.0363085 0.2085426 -0.1476045 2.2404545 -0.4010766 -0.1799302 0.3931438 2.4005831 15 Mg 2.2230064 -0.0363085 0.2085426 0.1476045 2.2404545 0.4010766 -0.1799302 -0.3931438 2.4005831 16 Mg 2.2230064 -0.0363085 -0.2085426 0.1476045 2.2404545 -0.4010766 0.1799302 0.3931438 2.4005831 17 Se 2.6571928 0.0000000 -0.1649523 0.0000000 3.7248679 0.0000000 -0.3002805 0.0000000 3.2506042 18 Se 2.6571928 0.0000000 0.1649523 0.0000000 3.7248679 0.0000000 0.3002805 0.0000000 3.2506042 19 Se 2.6571928 0.0000000 0.1649523 0.0000000 3.7248679 0.0000000 0.3002805 0.0000000 3.2506042 20 Se 2.6571928 0.0000000 -0.1649523 0.0000000 3.7248679 0.0000000 -0.3002805 0.0000000 3.2506042 ---------------------------------------------------------------------------- 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: 0.729 Solver_block: 200 / 320 - Time: 0.745 Solver_block: 300 / 320 - Time: 0.747 Solver_block: 320 / 320 - Time: 0.189 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.427 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:02:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:02:32]------------------------- 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 5.887382640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.622353349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.027150050000000 Atomic positions (fractional): 1 O 0.18072447433365 0.42261272065658 0.85822050113193 15.999 2 O 0.31927552566635 0.57738727934342 0.35822050113193 15.999 3 O 0.68072447433365 0.07738727934342 0.64177949886807 15.999 4 O 0.81927552566635 0.92261272065658 0.14177949886807 15.999 5 O 0.81927552566635 0.57738727934342 0.14177949886807 15.999 6 O 0.68072447433365 0.42261272065658 0.64177949886807 15.999 7 O 0.31927552566635 0.92261272065658 0.35822050113193 15.999 8 O 0.18072447433365 0.07738727934342 0.85822050113193 15.999 9 O 0.07110321503998 0.25000000000000 0.32200148823628 15.999 10 O 0.42889678496002 0.75000000000000 0.82200148823628 15.999 11 O 0.57110321503998 0.25000000000000 0.17799851176372 15.999 12 O 0.92889678496002 0.75000000000000 0.67799851176372 15.999 13 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 14 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 15 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 16 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 17 Se 0.01549205478837 0.25000000000000 0.98267626378803 78.960 18 Se 0.48450794521163 0.75000000000000 0.48267626378803 78.960 19 Se 0.51549205478837 0.25000000000000 0.51732373621197 78.960 20 Se 0.98450794521163 0.75000000000000 0.01732373621197 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.774765280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.622353349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.054300100000001 Atomic positions (fractional): 1 O 0.09036223716682 0.42261272065658 0.42911025056597 15.999 > 1 2 O 0.59036223716682 0.42261272065658 0.42911025056597 15.999 > 1 3 O 0.09036223716682 0.42261272065658 0.92911025056597 15.999 > 1 4 O 0.59036223716682 0.42261272065658 0.92911025056597 15.999 > 1 5 O 0.15963776283317 0.57738727934342 0.17911025056597 15.999 > 5 6 O 0.65963776283317 0.57738727934342 0.17911025056597 15.999 > 5 7 O 0.15963776283317 0.57738727934342 0.67911025056597 15.999 > 5 8 O 0.65963776283317 0.57738727934342 0.67911025056597 15.999 > 5 9 O 0.34036223716682 0.07738727934342 0.32088974943403 15.999 > 9 10 O 0.84036223716682 0.07738727934342 0.32088974943403 15.999 > 9 11 O 0.34036223716682 0.07738727934342 0.82088974943403 15.999 > 9 12 O 0.84036223716682 0.07738727934342 0.82088974943403 15.999 > 9 13 O 0.40963776283318 0.92261272065658 0.07088974943403 15.999 > 13 14 O 0.90963776283318 0.92261272065658 0.07088974943403 15.999 > 13 15 O 0.40963776283318 0.92261272065658 0.57088974943403 15.999 > 13 16 O 0.90963776283318 0.92261272065658 0.57088974943403 15.999 > 13 17 O 0.40963776283318 0.57738727934342 0.07088974943403 15.999 > 17 18 O 0.90963776283318 0.57738727934342 0.07088974943403 15.999 > 17 19 O 0.40963776283318 0.57738727934342 0.57088974943403 15.999 > 17 20 O 0.90963776283318 0.57738727934342 0.57088974943403 15.999 > 17 21 O 0.34036223716682 0.42261272065658 0.32088974943403 15.999 > 21 22 O 0.84036223716682 0.42261272065658 0.32088974943403 15.999 > 21 23 O 0.34036223716682 0.42261272065658 0.82088974943403 15.999 > 21 24 O 0.84036223716682 0.42261272065658 0.82088974943403 15.999 > 21 25 O 0.15963776283317 0.92261272065658 0.17911025056597 15.999 > 25 26 O 0.65963776283317 0.92261272065658 0.17911025056597 15.999 > 25 27 O 0.15963776283317 0.92261272065658 0.67911025056597 15.999 > 25 28 O 0.65963776283317 0.92261272065658 0.67911025056597 15.999 > 25 29 O 0.09036223716682 0.07738727934342 0.42911025056597 15.999 > 29 30 O 0.59036223716682 0.07738727934342 0.42911025056597 15.999 > 29 31 O 0.09036223716682 0.07738727934342 0.92911025056597 15.999 > 29 32 O 0.59036223716682 0.07738727934342 0.92911025056597 15.999 > 29 33 O 0.03555160751999 0.25000000000000 0.16100074411814 15.999 > 33 34 O 0.53555160751999 0.25000000000000 0.16100074411814 15.999 > 33 35 O 0.03555160751999 0.25000000000000 0.66100074411814 15.999 > 33 36 O 0.53555160751999 0.25000000000000 0.66100074411814 15.999 > 33 37 O 0.21444839248001 0.75000000000000 0.41100074411814 15.999 > 37 38 O 0.71444839248001 0.75000000000000 0.41100074411814 15.999 > 37 39 O 0.21444839248001 0.75000000000000 0.91100074411814 15.999 > 37 40 O 0.71444839248001 0.75000000000000 0.91100074411814 15.999 > 37 41 O 0.28555160751999 0.25000000000000 0.08899925588186 15.999 > 41 42 O 0.78555160751999 0.25000000000000 0.08899925588186 15.999 > 41 43 O 0.28555160751999 0.25000000000000 0.58899925588186 15.999 > 41 44 O 0.78555160751999 0.25000000000000 0.58899925588186 15.999 > 41 45 O 0.46444839248001 0.75000000000000 0.33899925588186 15.999 > 45 46 O 0.96444839248001 0.75000000000000 0.33899925588186 15.999 > 45 47 O 0.46444839248001 0.75000000000000 0.83899925588186 15.999 > 45 48 O 0.96444839248001 0.75000000000000 0.83899925588186 15.999 > 45 49 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 49 50 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 49 51 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 49 52 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 49 53 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 53 54 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 53 55 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 53 56 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 53 57 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 57 58 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 57 59 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 57 60 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 57 61 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 61 62 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 61 63 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 61 64 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 61 65 Se 0.00774602739419 0.25000000000000 0.49133813189402 78.960 > 65 66 Se 0.50774602739419 0.25000000000000 0.49133813189402 78.960 > 65 67 Se 0.00774602739419 0.25000000000000 0.99133813189402 78.960 > 65 68 Se 0.50774602739419 0.25000000000000 0.99133813189402 78.960 > 65 69 Se 0.24225397260581 0.75000000000000 0.24133813189402 78.960 > 69 70 Se 0.74225397260581 0.75000000000000 0.24133813189402 78.960 > 69 71 Se 0.24225397260581 0.75000000000000 0.74133813189402 78.960 > 69 72 Se 0.74225397260581 0.75000000000000 0.74133813189402 78.960 > 69 73 Se 0.25774602739419 0.25000000000000 0.25866186810598 78.960 > 73 74 Se 0.75774602739419 0.25000000000000 0.25866186810598 78.960 > 73 75 Se 0.25774602739419 0.25000000000000 0.75866186810598 78.960 > 73 76 Se 0.75774602739419 0.25000000000000 0.75866186810598 78.960 > 73 77 Se 0.49225397260581 0.75000000000000 0.00866186810598 78.960 > 77 78 Se 0.99225397260581 0.75000000000000 0.00866186810598 78.960 > 77 79 Se 0.49225397260581 0.75000000000000 0.50866186810598 78.960 > 77 80 Se 0.99225397260581 0.75000000000000 0.50866186810598 78.960 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6072874 0.0000000 0.0000000 0.0000000 4.2318528 0.0000000 0.0000000 0.0000000 4.0868185 -------------------------- Born effective charges -------------------------- 1 O -1.7841840 -0.2241423 0.1671676 -0.7220874 -2.2634444 0.2334639 0.4134402 0.3933663 -1.4667797 2 O -1.7841840 -0.2241423 -0.1671676 -0.7220874 -2.2634444 -0.2334639 -0.4134402 -0.3933663 -1.4667797 3 O -1.7841840 0.2241423 -0.1671676 0.7220874 -2.2634444 0.2334639 -0.4134402 0.3933663 -1.4667797 4 O -1.7841840 0.2241423 0.1671676 0.7220874 -2.2634444 -0.2334639 0.4134402 -0.3933663 -1.4667797 5 O -1.7841840 -0.2241423 0.1671676 -0.7220874 -2.2634444 0.2334639 0.4134402 0.3933663 -1.4667797 6 O -1.7841840 -0.2241423 -0.1671676 -0.7220874 -2.2634444 -0.2334639 -0.4134402 -0.3933663 -1.4667797 7 O -1.7841840 0.2241423 -0.1671676 0.7220874 -2.2634444 0.2334639 -0.4134402 0.3933663 -1.4667797 8 O -1.7841840 0.2241423 0.1671676 0.7220874 -2.2634444 -0.2334639 0.4134402 -0.3933663 -1.4667797 9 O -1.3118311 0.0000000 -0.1090871 0.0000000 -1.4384337 0.0000000 -0.4419415 0.0000000 -2.7176279 10 O -1.3118311 0.0000000 0.1090871 0.0000000 -1.4384337 0.0000000 0.4419415 0.0000000 -2.7176279 11 O -1.3118311 0.0000000 0.1090871 0.0000000 -1.4384337 0.0000000 0.4419415 0.0000000 -2.7176279 12 O -1.3118311 0.0000000 -0.1090871 0.0000000 -1.4384337 0.0000000 -0.4419415 0.0000000 -2.7176279 13 Mg 2.2230064 0.0363085 -0.2085426 -0.1476045 2.2404545 0.4010766 0.1799302 -0.3931438 2.4005831 14 Mg 2.2230064 0.0363085 0.2085426 -0.1476045 2.2404545 -0.4010766 -0.1799302 0.3931438 2.4005831 15 Mg 2.2230064 -0.0363085 0.2085426 0.1476045 2.2404545 0.4010766 -0.1799302 -0.3931438 2.4005831 16 Mg 2.2230064 -0.0363085 -0.2085426 0.1476045 2.2404545 -0.4010766 0.1799302 0.3931438 2.4005831 17 Se 2.6571928 0.0000000 -0.1649523 0.0000000 3.7248679 0.0000000 -0.3002805 0.0000000 3.2506042 18 Se 2.6571928 0.0000000 0.1649523 0.0000000 3.7248679 0.0000000 0.3002805 0.0000000 3.2506042 19 Se 2.6571928 0.0000000 0.1649523 0.0000000 3.7248679 0.0000000 0.3002805 0.0000000 3.2506042 20 Se 2.6571928 0.0000000 -0.1649523 0.0000000 3.7248679 0.0000000 -0.3002805 0.0000000 3.2506042 ---------------------------------------------------------------------------- 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: -0.00000007 (xxx) -0.00000007 (xxx) -0.00000007 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000009 (yz) -0.00000009 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:02:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:02:42]------------------------- 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 5.887382640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.622353349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.027150050000000 Atomic positions (fractional): 1 O 0.18072447433365 0.42261272065658 0.85822050113193 15.999 2 O 0.31927552566635 0.57738727934342 0.35822050113193 15.999 3 O 0.68072447433365 0.07738727934342 0.64177949886807 15.999 4 O 0.81927552566635 0.92261272065658 0.14177949886807 15.999 5 O 0.81927552566635 0.57738727934342 0.14177949886807 15.999 6 O 0.68072447433365 0.42261272065658 0.64177949886807 15.999 7 O 0.31927552566635 0.92261272065658 0.35822050113193 15.999 8 O 0.18072447433365 0.07738727934342 0.85822050113193 15.999 9 O 0.07110321503998 0.25000000000000 0.32200148823628 15.999 10 O 0.42889678496002 0.75000000000000 0.82200148823628 15.999 11 O 0.57110321503998 0.25000000000000 0.17799851176372 15.999 12 O 0.92889678496002 0.75000000000000 0.67799851176372 15.999 13 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 14 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 15 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 16 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 17 Se 0.01549205478837 0.25000000000000 0.98267626378803 78.960 18 Se 0.48450794521163 0.75000000000000 0.48267626378803 78.960 19 Se 0.51549205478837 0.25000000000000 0.51732373621197 78.960 20 Se 0.98450794521163 0.75000000000000 0.01732373621197 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.774765280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.622353349999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.054300100000001 Atomic positions (fractional): 1 O 0.09036223716682 0.42261272065658 0.42911025056597 15.999 > 1 2 O 0.59036223716682 0.42261272065658 0.42911025056597 15.999 > 1 3 O 0.09036223716682 0.42261272065658 0.92911025056597 15.999 > 1 4 O 0.59036223716682 0.42261272065658 0.92911025056597 15.999 > 1 5 O 0.15963776283317 0.57738727934342 0.17911025056597 15.999 > 5 6 O 0.65963776283317 0.57738727934342 0.17911025056597 15.999 > 5 7 O 0.15963776283317 0.57738727934342 0.67911025056597 15.999 > 5 8 O 0.65963776283317 0.57738727934342 0.67911025056597 15.999 > 5 9 O 0.34036223716682 0.07738727934342 0.32088974943403 15.999 > 9 10 O 0.84036223716682 0.07738727934342 0.32088974943403 15.999 > 9 11 O 0.34036223716682 0.07738727934342 0.82088974943403 15.999 > 9 12 O 0.84036223716682 0.07738727934342 0.82088974943403 15.999 > 9 13 O 0.40963776283318 0.92261272065658 0.07088974943403 15.999 > 13 14 O 0.90963776283318 0.92261272065658 0.07088974943403 15.999 > 13 15 O 0.40963776283318 0.92261272065658 0.57088974943403 15.999 > 13 16 O 0.90963776283318 0.92261272065658 0.57088974943403 15.999 > 13 17 O 0.40963776283318 0.57738727934342 0.07088974943403 15.999 > 17 18 O 0.90963776283318 0.57738727934342 0.07088974943403 15.999 > 17 19 O 0.40963776283318 0.57738727934342 0.57088974943403 15.999 > 17 20 O 0.90963776283318 0.57738727934342 0.57088974943403 15.999 > 17 21 O 0.34036223716682 0.42261272065658 0.32088974943403 15.999 > 21 22 O 0.84036223716682 0.42261272065658 0.32088974943403 15.999 > 21 23 O 0.34036223716682 0.42261272065658 0.82088974943403 15.999 > 21 24 O 0.84036223716682 0.42261272065658 0.82088974943403 15.999 > 21 25 O 0.15963776283317 0.92261272065658 0.17911025056597 15.999 > 25 26 O 0.65963776283317 0.92261272065658 0.17911025056597 15.999 > 25 27 O 0.15963776283317 0.92261272065658 0.67911025056597 15.999 > 25 28 O 0.65963776283317 0.92261272065658 0.67911025056597 15.999 > 25 29 O 0.09036223716682 0.07738727934342 0.42911025056597 15.999 > 29 30 O 0.59036223716682 0.07738727934342 0.42911025056597 15.999 > 29 31 O 0.09036223716682 0.07738727934342 0.92911025056597 15.999 > 29 32 O 0.59036223716682 0.07738727934342 0.92911025056597 15.999 > 29 33 O 0.03555160751999 0.25000000000000 0.16100074411814 15.999 > 33 34 O 0.53555160751999 0.25000000000000 0.16100074411814 15.999 > 33 35 O 0.03555160751999 0.25000000000000 0.66100074411814 15.999 > 33 36 O 0.53555160751999 0.25000000000000 0.66100074411814 15.999 > 33 37 O 0.21444839248001 0.75000000000000 0.41100074411814 15.999 > 37 38 O 0.71444839248001 0.75000000000000 0.41100074411814 15.999 > 37 39 O 0.21444839248001 0.75000000000000 0.91100074411814 15.999 > 37 40 O 0.71444839248001 0.75000000000000 0.91100074411814 15.999 > 37 41 O 0.28555160751999 0.25000000000000 0.08899925588186 15.999 > 41 42 O 0.78555160751999 0.25000000000000 0.08899925588186 15.999 > 41 43 O 0.28555160751999 0.25000000000000 0.58899925588186 15.999 > 41 44 O 0.78555160751999 0.25000000000000 0.58899925588186 15.999 > 41 45 O 0.46444839248001 0.75000000000000 0.33899925588186 15.999 > 45 46 O 0.96444839248001 0.75000000000000 0.33899925588186 15.999 > 45 47 O 0.46444839248001 0.75000000000000 0.83899925588186 15.999 > 45 48 O 0.96444839248001 0.75000000000000 0.83899925588186 15.999 > 45 49 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 49 50 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 49 51 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 49 52 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 49 53 Mg 0.25000000000000 0.00000000000000 0.00000000000000 24.305 > 53 54 Mg 0.75000000000000 0.00000000000000 0.00000000000000 24.305 > 53 55 Mg 0.25000000000000 0.00000000000000 0.50000000000000 24.305 > 53 56 Mg 0.75000000000000 0.00000000000000 0.50000000000000 24.305 > 53 57 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 57 58 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 57 59 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 57 60 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 57 61 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 61 62 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 61 63 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 61 64 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 61 65 Se 0.00774602739419 0.25000000000000 0.49133813189402 78.960 > 65 66 Se 0.50774602739419 0.25000000000000 0.49133813189402 78.960 > 65 67 Se 0.00774602739419 0.25000000000000 0.99133813189402 78.960 > 65 68 Se 0.50774602739419 0.25000000000000 0.99133813189402 78.960 > 65 69 Se 0.24225397260581 0.75000000000000 0.24133813189402 78.960 > 69 70 Se 0.74225397260581 0.75000000000000 0.24133813189402 78.960 > 69 71 Se 0.24225397260581 0.75000000000000 0.74133813189402 78.960 > 69 72 Se 0.74225397260581 0.75000000000000 0.74133813189402 78.960 > 69 73 Se 0.25774602739419 0.25000000000000 0.25866186810598 78.960 > 73 74 Se 0.75774602739419 0.25000000000000 0.25866186810598 78.960 > 73 75 Se 0.25774602739419 0.25000000000000 0.75866186810598 78.960 > 73 76 Se 0.75774602739419 0.25000000000000 0.75866186810598 78.960 > 73 77 Se 0.49225397260581 0.75000000000000 0.00866186810598 78.960 > 77 78 Se 0.99225397260581 0.75000000000000 0.00866186810598 78.960 > 77 79 Se 0.49225397260581 0.75000000000000 0.50866186810598 78.960 > 77 80 Se 0.99225397260581 0.75000000000000 0.50866186810598 78.960 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6072874 0.0000000 0.0000000 0.0000000 4.2318528 0.0000000 0.0000000 0.0000000 4.0868185 -------------------------- Born effective charges -------------------------- 1 O -1.7841840 -0.2241423 0.1671676 -0.7220874 -2.2634444 0.2334639 0.4134402 0.3933663 -1.4667797 2 O -1.7841840 -0.2241423 -0.1671676 -0.7220874 -2.2634444 -0.2334639 -0.4134402 -0.3933663 -1.4667797 3 O -1.7841840 0.2241423 -0.1671676 0.7220874 -2.2634444 0.2334639 -0.4134402 0.3933663 -1.4667797 4 O -1.7841840 0.2241423 0.1671676 0.7220874 -2.2634444 -0.2334639 0.4134402 -0.3933663 -1.4667797 5 O -1.7841840 -0.2241423 0.1671676 -0.7220874 -2.2634444 0.2334639 0.4134402 0.3933663 -1.4667797 6 O -1.7841840 -0.2241423 -0.1671676 -0.7220874 -2.2634444 -0.2334639 -0.4134402 -0.3933663 -1.4667797 7 O -1.7841840 0.2241423 -0.1671676 0.7220874 -2.2634444 0.2334639 -0.4134402 0.3933663 -1.4667797 8 O -1.7841840 0.2241423 0.1671676 0.7220874 -2.2634444 -0.2334639 0.4134402 -0.3933663 -1.4667797 9 O -1.3118311 0.0000000 -0.1090871 0.0000000 -1.4384337 0.0000000 -0.4419415 0.0000000 -2.7176279 10 O -1.3118311 0.0000000 0.1090871 0.0000000 -1.4384337 0.0000000 0.4419415 0.0000000 -2.7176279 11 O -1.3118311 0.0000000 0.1090871 0.0000000 -1.4384337 0.0000000 0.4419415 0.0000000 -2.7176279 12 O -1.3118311 0.0000000 -0.1090871 0.0000000 -1.4384337 0.0000000 -0.4419415 0.0000000 -2.7176279 13 Mg 2.2230064 0.0363085 -0.2085426 -0.1476045 2.2404545 0.4010766 0.1799302 -0.3931438 2.4005831 14 Mg 2.2230064 0.0363085 0.2085426 -0.1476045 2.2404545 -0.4010766 -0.1799302 0.3931438 2.4005831 15 Mg 2.2230064 -0.0363085 0.2085426 0.1476045 2.2404545 0.4010766 -0.1799302 -0.3931438 2.4005831 16 Mg 2.2230064 -0.0363085 -0.2085426 0.1476045 2.2404545 -0.4010766 0.1799302 0.3931438 2.4005831 17 Se 2.6571928 0.0000000 -0.1649523 0.0000000 3.7248679 0.0000000 -0.3002805 0.0000000 3.2506042 18 Se 2.6571928 0.0000000 0.1649523 0.0000000 3.7248679 0.0000000 0.3002805 0.0000000 3.2506042 19 Se 2.6571928 0.0000000 0.1649523 0.0000000 3.7248679 0.0000000 0.3002805 0.0000000 3.2506042 20 Se 2.6571928 0.0000000 -0.1649523 0.0000000 3.7248679 0.0000000 -0.3002805 0.0000000 3.2506042 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (xxx) -0.00000007 (xxx) -0.00000007 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 10 ] 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: 309, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 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 4.022 ( 0.000 0.000 0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.488 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 6.019 ( 0.000 0.000 0.000) 0.000 6.736 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 7.350 ( 0.000 0.000 0.000) 0.000 7.376 ( 0.000 0.000 0.000) 0.000 7.551 ( 0.000 0.000 0.000) 0.000 7.661 ( 0.000 0.000 0.000) 0.000 7.828 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.384 ( 0.000 0.000 0.000) 0.000 8.458 ( 0.000 0.000 0.000) 0.000 8.615 ( 0.000 0.000 0.000) 0.000 8.731 ( 0.000 0.000 0.000) 0.000 8.865 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.151 ( 0.000 0.000 0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 9.400 ( 0.000 0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 10.580 ( 0.000 0.000 0.000) 0.000 10.720 ( 0.000 0.000 0.000) 0.000 10.728 ( 0.000 0.000 0.000) 0.000 11.078 ( 0.000 0.000 0.000) 0.000 11.362 ( 0.000 0.000 0.000) 0.000 11.669 ( 0.000 0.000 0.000) 0.000 12.079 ( 0.000 0.000 0.000) 0.000 12.192 ( 0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 0.000) 0.000 12.408 ( 0.000 0.000 0.000) 0.000 12.815 ( 0.000 0.000 0.000) 0.000 12.996 ( 0.000 0.000 0.000) 0.000 13.574 ( 0.000 0.000 0.000) 0.000 13.839 ( 0.000 0.000 0.000) 0.000 13.988 ( 0.000 0.000 0.000) 0.000 14.464 ( 0.000 0.000 0.000) 0.000 18.951 ( 0.000 0.000 0.000) 0.000 19.050 ( 0.000 0.000 0.000) 0.000 19.495 ( 0.000 0.000 0.000) 0.000 19.799 ( 0.000 0.000 0.000) 0.000 19.888 ( 0.000 0.000 0.000) 0.000 19.966 ( 0.000 0.000 0.000) 0.000 20.627 ( 0.000 0.000 0.000) 0.000 21.537 ( 0.000 0.000 0.000) 0.000 21.675 ( 0.000 0.000 0.000) 0.000 22.061 ( 0.000 0.000 0.000) 0.000 22.071 ( 0.000 0.000 0.000) 0.000 23.043 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 32.773 0.000 0.000) 32.773 0.758 ( 35.367 0.000 0.000) 35.367 1.277 ( 59.073 0.000 0.000) 59.073 3.902 ( -11.207 0.000 0.000) 11.207 4.031 ( -11.987 0.000 0.000) 11.987 4.188 ( -10.643 0.000 0.000) 10.643 4.315 ( 0.053 0.000 0.000) 0.053 4.376 ( 3.276 0.000 0.000) 3.276 4.523 ( 2.248 0.000 0.000) 2.248 4.851 ( 22.652 0.000 0.000) 22.652 4.896 ( 3.711 0.000 0.000) 3.711 5.545 ( -0.359 0.000 0.000) 0.359 5.604 ( 2.393 0.000 0.000) 2.393 5.898 ( -10.956 0.000 0.000) 10.956 6.822 ( 7.533 0.000 0.000) 7.533 7.218 ( 2.222 0.000 0.000) 2.222 7.267 ( -7.236 0.000 0.000) 7.236 7.302 ( -6.693 0.000 0.000) 6.693 7.458 ( -8.358 0.000 0.000) 8.358 7.808 ( -1.839 0.000 0.000) 1.839 8.004 ( 2.146 0.000 0.000) 2.146 8.371 ( -0.601 0.000 0.000) 0.601 8.481 ( 1.488 0.000 0.000) 1.488 8.583 ( -11.701 0.000 0.000) 11.701 8.636 ( 1.534 0.000 0.000) 1.534 8.672 ( 1.305 0.000 0.000) 1.305 8.911 ( 2.255 0.000 0.000) 2.255 8.937 ( -14.176 0.000 0.000) 14.176 9.016 ( 6.680 0.000 0.000) 6.680 9.209 ( -1.243 0.000 0.000) 1.243 9.538 ( 7.918 0.000 0.000) 7.918 10.015 ( 3.606 0.000 0.000) 3.606 10.579 ( 0.140 0.000 0.000) 0.140 10.593 ( -10.337 0.000 0.000) 10.337 10.839 ( 9.783 0.000 0.000) 9.783 11.008 ( -6.139 0.000 0.000) 6.139 11.380 ( 1.419 0.000 0.000) 1.419 11.736 ( 4.797 0.000 0.000) 4.797 12.085 ( 0.497 0.000 0.000) 0.497 12.189 ( -0.332 0.000 0.000) 0.332 12.190 ( -1.205 0.000 0.000) 1.205 12.439 ( -10.607 0.000 0.000) 10.607 12.843 ( 2.697 0.000 0.000) 2.697 13.084 ( 6.758 0.000 0.000) 6.758 13.551 ( -2.149 0.000 0.000) 2.149 13.922 ( -5.036 0.000 0.000) 5.036 14.590 ( 10.476 0.000 0.000) 10.476 16.042 ( -3.876 0.000 0.000) 3.876 18.946 ( -0.463 0.000 0.000) 0.463 19.002 ( -3.429 0.000 0.000) 3.429 19.624 ( 10.914 0.000 0.000) 10.914 19.792 ( -0.656 0.000 0.000) 0.656 19.834 ( -2.980 0.000 0.000) 2.980 20.048 ( 5.571 0.000 0.000) 5.571 20.614 ( -1.689 0.000 0.000) 1.689 21.585 ( 4.249 0.000 0.000) 4.249 21.601 ( -6.873 0.000 0.000) 6.873 22.070 ( -0.158 0.000 0.000) 0.158 23.057 ( 1.300 0.000 0.000) 1.300 23.773 ( -4.436 0.000 0.000) 4.436 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 30.063 0.000 0.000) 30.063 1.495 ( 33.946 0.000 0.000) 33.946 2.482 ( 53.505 0.000 0.000) 53.505 3.566 ( -19.691 0.000 0.000) 19.691 3.863 ( -3.387 0.000 0.000) 3.387 3.882 ( -17.568 0.000 0.000) 17.568 4.301 ( -1.978 0.000 0.000) 1.978 4.469 ( 5.057 0.000 0.000) 5.057 4.578 ( 2.851 0.000 0.000) 2.851 5.006 ( 6.361 0.000 0.000) 6.361 5.361 ( 24.573 0.000 0.000) 24.573 5.519 ( -2.283 0.000 0.000) 2.283 5.581 ( -18.329 0.000 0.000) 18.329 5.693 ( 6.156 0.000 0.000) 6.156 7.016 ( 9.354 0.000 0.000) 9.354 7.075 ( -10.101 0.000 0.000) 10.101 7.112 ( -10.500 0.000 0.000) 10.500 7.223 ( -12.961 0.000 0.000) 12.961 7.292 ( 4.889 0.000 0.000) 4.889 7.750 ( -3.585 0.000 0.000) 3.585 8.061 ( 3.152 0.000 0.000) 3.152 8.269 ( -17.089 0.000 0.000) 17.089 8.359 ( -1.001 0.000 0.000) 1.001 8.518 ( 2.198 0.000 0.000) 2.198 8.549 ( -13.305 0.000 0.000) 13.305 8.701 ( 1.056 0.000 0.000) 1.056 8.756 ( 1.016 0.000 0.000) 1.016 8.938 ( 0.341 0.000 0.000) 0.341 9.164 ( 6.023 0.000 0.000) 6.023 9.182 ( -0.889 0.000 0.000) 0.889 9.689 ( 6.483 0.000 0.000) 6.483 10.125 ( 6.539 0.000 0.000) 6.539 10.352 ( -11.270 0.000 0.000) 11.270 10.610 ( 3.490 0.000 0.000) 3.490 10.845 ( -8.604 0.000 0.000) 8.604 11.099 ( 13.591 0.000 0.000) 13.591 11.400 ( -0.383 0.000 0.000) 0.383 11.809 ( 1.118 0.000 0.000) 1.118 12.100 ( 0.900 0.000 0.000) 0.900 12.147 ( -2.841 0.000 0.000) 2.841 12.180 ( -0.496 0.000 0.000) 0.496 12.182 ( -12.128 0.000 0.000) 12.128 12.931 ( 5.510 0.000 0.000) 5.510 13.242 ( 7.724 0.000 0.000) 7.724 13.483 ( -4.268 0.000 0.000) 4.268 13.807 ( -5.585 0.000 0.000) 5.585 14.859 ( 14.082 0.000 0.000) 14.082 15.920 ( -7.575 0.000 0.000) 7.575 18.932 ( -0.781 0.000 0.000) 0.781 18.937 ( -2.347 0.000 0.000) 2.347 19.774 ( -0.938 0.000 0.000) 0.938 19.782 ( -1.865 0.000 0.000) 1.865 19.917 ( 16.088 0.000 0.000) 16.088 20.176 ( 6.177 0.000 0.000) 6.177 20.566 ( -2.729 0.000 0.000) 2.729 21.390 ( -12.745 0.000 0.000) 12.745 21.703 ( 6.441 0.000 0.000) 6.441 22.061 ( -0.807 0.000 0.000) 0.807 23.100 ( 2.879 0.000 0.000) 2.879 23.644 ( -7.406 0.000 0.000) 7.406 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 27.530 0.000 0.000) 27.530 2.193 ( 31.603 0.000 0.000) 31.603 3.095 ( -24.185 0.000 0.000) 24.185 3.312 ( -5.339 0.000 0.000) 5.339 3.665 ( 26.690 0.000 0.000) 26.690 3.887 ( 5.149 0.000 0.000) 5.149 4.213 ( -6.405 0.000 0.000) 6.405 4.562 ( 2.583 0.000 0.000) 2.583 4.640 ( 2.890 0.000 0.000) 2.890 5.111 ( -13.994 0.000 0.000) 13.994 5.180 ( -1.945 0.000 0.000) 1.945 5.443 ( -4.910 0.000 0.000) 4.910 5.843 ( 18.563 0.000 0.000) 18.563 5.862 ( 9.210 0.000 0.000) 9.210 6.878 ( -7.402 0.000 0.000) 7.402 6.911 ( -6.225 0.000 0.000) 6.225 6.952 ( -11.170 0.000 0.000) 11.170 7.131 ( -1.012 0.000 0.000) 1.012 7.428 ( 7.175 0.000 0.000) 7.175 7.659 ( -4.807 0.000 0.000) 4.807 7.943 ( -9.857 0.000 0.000) 9.857 8.139 ( 4.165 0.000 0.000) 4.165 8.238 ( -14.514 0.000 0.000) 14.514 8.315 ( -3.128 0.000 0.000) 3.128 8.578 ( 3.402 0.000 0.000) 3.402 8.701 ( -1.239 0.000 0.000) 1.239 8.819 ( 3.452 0.000 0.000) 3.452 8.928 ( -1.295 0.000 0.000) 1.295 9.184 ( 1.186 0.000 0.000) 1.186 9.240 ( 0.991 0.000 0.000) 0.991 9.823 ( 6.354 0.000 0.000) 6.354 10.136 ( -8.991 0.000 0.000) 8.991 10.283 ( 8.168 0.000 0.000) 8.168 10.648 ( -8.095 0.000 0.000) 8.095 10.765 ( 9.598 0.000 0.000) 9.598 11.307 ( -9.355 0.000 0.000) 9.355 11.383 ( 12.656 0.000 0.000) 12.656 11.771 ( -4.639 0.000 0.000) 4.639 11.996 ( -4.115 0.000 0.000) 4.115 12.073 ( -3.932 0.000 0.000) 3.932 12.121 ( 1.125 0.000 0.000) 1.125 12.166 ( -0.802 0.000 0.000) 0.802 13.070 ( 7.263 0.000 0.000) 7.263 13.372 ( -6.134 0.000 0.000) 6.134 13.404 ( 7.385 0.000 0.000) 7.385 13.685 ( -5.906 0.000 0.000) 5.906 15.167 ( 14.579 0.000 0.000) 14.579 15.723 ( -10.833 0.000 0.000) 10.833 18.905 ( -0.749 0.000 0.000) 0.749 18.915 ( -0.794 0.000 0.000) 0.794 19.754 ( -0.801 0.000 0.000) 0.801 19.756 ( -0.706 0.000 0.000) 0.706 20.289 ( 18.559 0.000 0.000) 18.559 20.303 ( 5.685 0.000 0.000) 5.685 20.499 ( -3.569 0.000 0.000) 3.569 21.073 ( -16.862 0.000 0.000) 16.862 21.841 ( 6.271 0.000 0.000) 6.271 22.029 ( -2.328 0.000 0.000) 2.328 23.182 ( 4.919 0.000 0.000) 4.919 23.475 ( -8.193 0.000 0.000) 8.193 ======================= Grid point 4 (5/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -26.116 0.000 0.000) 26.116 2.558 ( 26.116 0.000 0.000) 26.116 2.829 ( -27.987 0.000 0.000) 27.987 2.829 ( 27.987 0.000 0.000) 27.987 4.045 ( -8.636 0.000 0.000) 8.636 4.045 ( 8.636 0.000 0.000) 8.636 4.399 ( -26.704 0.000 0.000) 26.704 4.399 ( 26.704 0.000 0.000) 26.704 4.717 ( -7.357 0.000 0.000) 7.357 4.717 ( 7.357 0.000 0.000) 7.357 5.316 ( -6.823 0.000 0.000) 6.823 5.316 ( 6.823 0.000 0.000) 6.823 6.019 ( -2.582 0.000 0.000) 2.582 6.019 ( 2.582 0.000 0.000) 2.582 6.807 ( -1.659 0.000 0.000) 1.659 6.807 ( 1.659 0.000 0.000) 1.659 6.961 ( -10.439 0.000 0.000) 10.439 6.961 ( 10.439 0.000 0.000) 10.439 7.553 ( -5.050 0.000 0.000) 5.050 7.553 ( 5.050 0.000 0.000) 5.050 7.966 ( -9.808 0.000 0.000) 9.808 7.966 ( 9.808 0.000 0.000) 9.808 8.232 ( -4.410 0.000 0.000) 4.410 8.232 ( 4.410 0.000 0.000) 4.410 8.651 ( -3.194 0.000 0.000) 3.194 8.651 ( 3.194 0.000 0.000) 3.194 8.885 ( -2.664 0.000 0.000) 2.664 8.885 ( 2.664 0.000 0.000) 2.664 9.223 ( -1.949 0.000 0.000) 1.949 9.223 ( 1.949 0.000 0.000) 1.949 9.966 ( -7.185 0.000 0.000) 7.185 9.966 ( 7.185 0.000 0.000) 7.185 10.464 ( -8.708 0.000 0.000) 8.708 10.464 ( 8.708 0.000 0.000) 8.708 11.036 ( -14.367 0.000 0.000) 14.367 11.036 ( 14.367 0.000 0.000) 14.367 11.620 ( -9.361 0.000 0.000) 9.361 11.620 ( 9.361 0.000 0.000) 9.361 11.995 ( -2.799 0.000 0.000) 2.799 11.995 ( 2.799 0.000 0.000) 2.799 12.146 ( -1.102 0.000 0.000) 1.102 12.146 ( 1.102 0.000 0.000) 1.102 13.227 ( -7.322 0.000 0.000) 7.322 13.227 ( 7.322 0.000 0.000) 7.322 13.553 ( -6.620 0.000 0.000) 6.620 13.553 ( 6.620 0.000 0.000) 6.620 15.465 ( -13.303 0.000 0.000) 13.303 15.465 ( 13.303 0.000 0.000) 13.303 18.902 ( -0.328 0.000 0.000) 0.328 18.902 ( 0.328 0.000 0.000) 0.328 19.747 ( -0.073 0.000 0.000) 0.073 19.747 ( 0.073 0.000 0.000) 0.073 20.413 ( -4.622 0.000 0.000) 4.622 20.413 ( 4.622 0.000 0.000) 4.622 20.690 ( -18.829 0.000 0.000) 18.829 20.690 ( 18.829 0.000 0.000) 18.829 21.957 ( -4.496 0.000 0.000) 4.496 21.957 ( 4.496 0.000 0.000) 4.496 23.310 ( -7.040 0.000 0.000) 7.040 23.310 ( 7.040 0.000 0.000) 7.040 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 0.000 32.189 0.000) 32.189 0.826 ( 0.000 43.875 0.000) 43.875 1.077 ( 0.000 55.461 0.000) 55.461 3.953 ( 0.000 -31.830 0.000) 31.830 4.012 ( 0.000 -2.786 0.000) 2.786 4.312 ( 0.000 0.306 0.000) 0.306 4.325 ( 0.000 1.069 0.000) 1.069 4.392 ( 0.000 4.958 0.000) 4.958 4.461 ( 0.000 -1.622 0.000) 1.622 4.602 ( 0.000 -20.217 0.000) 20.217 5.138 ( 0.000 28.665 0.000) 28.665 5.474 ( 0.000 -6.853 0.000) 6.853 5.535 ( 0.000 -9.527 0.000) 9.527 6.200 ( 0.000 20.100 0.000) 20.100 6.834 ( 0.000 9.726 0.000) 9.726 7.304 ( 0.000 10.714 0.000) 10.714 7.363 ( 0.000 1.554 0.000) 1.554 7.537 ( 0.000 -1.519 0.000) 1.519 7.609 ( 0.000 -8.444 0.000) 8.444 7.789 ( 0.000 -14.280 0.000) 14.280 7.827 ( 0.000 7.497 0.000) 7.497 8.109 ( 0.000 2.636 0.000) 2.636 8.240 ( 0.000 -9.098 0.000) 9.098 8.356 ( 0.000 -10.448 0.000) 10.448 8.633 ( 0.000 -0.685 0.000) 0.685 8.742 ( 0.000 -9.674 0.000) 9.674 8.915 ( 0.000 -5.666 0.000) 5.666 8.996 ( 0.000 21.802 0.000) 21.802 9.090 ( 0.000 -7.461 0.000) 7.461 9.433 ( 0.000 4.562 0.000) 4.562 9.719 ( 0.000 7.724 0.000) 7.724 9.913 ( 0.000 -0.656 0.000) 0.656 10.567 ( 0.000 -1.787 0.000) 1.787 10.747 ( 0.000 2.881 0.000) 2.881 11.067 ( 0.000 -14.357 0.000) 14.357 11.094 ( 0.000 2.412 0.000) 2.412 11.551 ( 0.000 10.315 0.000) 10.315 11.616 ( 0.000 -5.690 0.000) 5.690 12.044 ( 0.000 -3.023 0.000) 3.023 12.151 ( 0.000 -5.405 0.000) 5.405 12.238 ( 0.000 4.577 0.000) 4.577 12.535 ( 0.000 11.935 0.000) 11.935 12.787 ( 0.000 -2.946 0.000) 2.946 13.003 ( 0.000 0.777 0.000) 0.777 13.832 ( 0.000 -0.632 0.000) 0.632 14.012 ( 0.000 2.544 0.000) 2.544 14.441 ( 0.000 -2.353 0.000) 2.353 14.559 ( 0.000 -6.773 0.000) 6.773 19.074 ( 0.000 2.515 0.000) 2.515 19.470 ( 0.000 -2.589 0.000) 2.589 19.840 ( 0.000 4.288 0.000) 4.288 19.907 ( 0.000 1.840 0.000) 1.840 19.970 ( 0.000 0.377 0.000) 0.377 20.585 ( 0.000 -4.459 0.000) 4.459 21.539 ( 0.000 0.170 0.000) 0.170 21.648 ( 0.000 -2.378 0.000) 2.378 22.115 ( 0.000 4.620 0.000) 4.620 22.119 ( 0.000 5.672 0.000) 5.672 22.729 ( 0.000 -2.734 0.000) 2.734 22.993 ( 0.000 -5.293 0.000) 5.293 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 26.062 25.434 0.000) 36.416 1.119 ( 23.731 32.177 0.000) 39.981 1.565 ( 43.098 30.575 0.000) 52.842 3.813 ( -7.187 -19.893 0.000) 21.152 3.925 ( -8.882 1.172 0.000) 8.959 4.254 ( -9.225 5.028 0.000) 10.506 4.322 ( 0.257 0.233 0.000) 0.347 4.396 ( 1.565 2.221 0.000) 2.717 4.508 ( 4.500 -3.256 0.000) 5.554 4.637 ( 3.308 -20.951 0.000) 21.210 5.151 ( 6.671 23.511 0.000) 24.439 5.466 ( -0.811 -7.273 0.000) 7.318 5.499 ( -3.735 -12.066 0.000) 12.631 6.149 ( -4.157 23.352 0.000) 23.719 6.910 ( 6.867 8.945 0.000) 11.277 7.225 ( -10.057 -3.400 0.000) 10.616 7.326 ( 2.138 10.611 0.000) 10.824 7.455 ( -7.432 -0.301 0.000) 7.438 7.471 ( -8.330 9.591 0.000) 12.703 7.792 ( 0.681 -13.212 0.000) 13.229 7.883 ( 1.147 3.121 0.000) 3.325 8.215 ( -3.039 -10.137 0.000) 10.583 8.355 ( -0.176 -10.351 0.000) 10.353 8.358 ( 13.350 -13.446 0.000) 18.947 8.660 ( 2.251 -1.319 0.000) 2.609 8.693 ( -4.550 -2.045 0.000) 4.989 8.952 ( 3.256 -6.848 0.000) 7.583 9.004 ( 0.843 14.194 0.000) 14.219 9.068 ( -4.830 -1.930 0.000) 5.201 9.138 ( -14.074 5.347 0.000) 15.055 9.742 ( 2.020 6.399 0.000) 6.710 10.124 ( 9.048 8.046 0.000) 12.108 10.469 ( -9.217 -6.607 0.000) 11.340 10.713 ( -1.119 7.511 0.000) 7.594 10.843 ( -4.900 -3.216 0.000) 5.861 11.038 ( -5.081 3.667 0.000) 6.267 11.524 ( 0.107 11.800 0.000) 11.801 11.687 ( 5.179 -5.277 0.000) 7.394 12.047 ( -0.546 -3.995 0.000) 4.032 12.138 ( -1.222 -5.297 0.000) 5.436 12.235 ( -0.232 4.539 0.000) 4.545 12.511 ( -6.807 8.505 0.000) 10.893 12.809 ( 2.081 -3.540 0.000) 4.106 12.996 ( 3.124 -4.269 0.000) 5.290 13.676 ( -4.159 7.863 0.000) 8.895 13.958 ( -4.019 3.787 0.000) 5.522 14.556 ( 9.542 -3.541 0.000) 10.178 15.207 ( 28.328 -41.041 0.000) 49.868 19.038 ( -2.415 3.759 0.000) 4.468 19.581 ( 9.105 -4.031 0.000) 9.958 19.822 ( -2.295 5.059 0.000) 5.555 19.870 ( -1.338 3.160 0.000) 3.431 20.045 ( 5.157 -0.317 0.000) 5.166 20.350 ( -60.695 70.765 0.000) 93.228 20.570 ( -1.849 -4.543 0.000) 4.905 21.534 ( -3.417 -2.500 0.000) 4.234 21.709 ( -0.362 9.172 0.000) 9.179 22.114 ( -0.158 4.623 0.000) 4.625 23.005 ( 1.153 -5.446 0.000) 5.567 23.435 ( 12.059 -25.794 0.000) 28.474 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 25.548 20.998 0.000) 33.070 1.701 ( 29.412 20.575 0.000) 35.894 2.579 ( 47.620 9.888 0.000) 48.636 3.632 ( -18.089 6.269 0.000) 19.144 3.750 ( 1.390 -8.292 0.000) 8.408 3.971 ( -15.972 7.259 0.000) 17.544 4.304 ( -2.341 0.193 0.000) 2.349 4.471 ( 4.803 -0.206 0.000) 4.807 4.597 ( 3.457 0.722 0.000) 3.531 4.744 ( 6.747 -21.898 0.000) 22.914 5.353 ( -10.366 -14.115 0.000) 17.513 5.366 ( 3.157 -6.414 0.000) 7.149 5.497 ( 12.082 4.709 0.000) 12.968 6.075 ( -1.686 26.208 0.000) 26.262 6.994 ( -10.888 -6.392 0.000) 12.626 7.090 ( 8.271 7.489 0.000) 11.158 7.245 ( -11.085 2.576 0.000) 11.380 7.270 ( -10.391 11.923 0.000) 15.816 7.397 ( 4.641 10.215 0.000) 11.220 7.783 ( -1.759 -1.564 0.000) 2.354 7.900 ( 0.597 -5.593 0.000) 5.625 8.056 ( -12.504 -12.714 0.000) 17.832 8.357 ( 0.302 -7.700 0.000) 7.706 8.554 ( 5.314 -9.849 0.000) 11.191 8.597 ( -3.140 4.330 0.000) 5.348 8.693 ( -2.854 -6.305 0.000) 6.921 8.797 ( -7.831 17.370 0.000) 19.054 8.981 ( -0.489 5.098 0.000) 5.121 9.068 ( 4.086 -8.629 0.000) 9.547 9.075 ( -0.452 -9.239 0.000) 9.250 9.792 ( 2.500 4.763 0.000) 5.380 10.238 ( 4.491 11.887 0.000) 12.707 10.240 ( -10.732 -9.235 0.000) 14.158 10.733 ( 3.063 10.297 0.000) 10.743 10.898 ( -7.531 5.889 0.000) 9.560 10.971 ( 12.209 -9.589 0.000) 15.525 11.531 ( -0.506 9.643 0.000) 9.656 11.769 ( 1.459 -4.391 0.000) 4.627 12.010 ( -3.051 -5.578 0.000) 6.358 12.099 ( -2.397 -4.930 0.000) 5.481 12.228 ( -0.473 4.641 0.000) 4.665 12.326 ( -7.913 10.727 0.000) 13.329 12.876 ( 4.146 -5.437 0.000) 6.838 13.085 ( 3.636 -10.703 0.000) 11.304 13.636 ( -0.384 11.016 0.000) 11.023 13.870 ( -4.078 6.390 0.000) 7.580 14.801 ( 12.816 -5.933 0.000) 14.123 15.528 ( 4.808 -31.279 0.000) 31.647 19.001 ( -0.780 6.511 0.000) 6.558 19.505 ( -20.203 43.525 0.000) 47.986 19.750 ( 3.262 -3.280 0.000) 4.625 19.837 ( -2.535 8.883 0.000) 9.238 19.937 ( 10.673 1.928 0.000) 10.846 20.166 ( 6.033 -1.028 0.000) 6.120 20.526 ( -2.503 -4.004 0.000) 4.722 21.359 ( -12.241 -3.109 0.000) 12.630 21.774 ( 5.279 7.429 0.000) 9.113 22.105 ( -0.794 4.644 0.000) 4.711 23.043 ( 2.523 -5.975 0.000) 6.486 23.479 ( -3.674 -16.061 0.000) 16.476 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 24.897 15.347 0.000) 29.247 2.327 ( 28.835 13.831 0.000) 31.981 3.192 ( -22.514 9.713 0.000) 24.520 3.332 ( 3.609 0.621 0.000) 3.662 3.683 ( 7.330 3.141 0.000) 7.975 3.944 ( 16.551 6.443 0.000) 17.761 4.202 ( -7.462 -1.289 0.000) 7.573 4.565 ( 3.011 0.134 0.000) 3.014 4.657 ( 2.277 1.443 0.000) 2.696 4.896 ( 4.388 -19.171 0.000) 19.667 5.076 ( -12.674 -9.020 0.000) 15.556 5.291 ( -6.263 -14.244 0.000) 15.560 5.880 ( 17.481 2.828 0.000) 17.708 6.087 ( 2.073 18.884 0.000) 18.998 6.819 ( -3.656 -4.672 0.000) 5.933 6.983 ( -9.797 3.855 0.000) 10.528 7.055 ( -8.769 12.154 0.000) 14.987 7.216 ( -2.150 8.700 0.000) 8.962 7.529 ( 7.214 9.618 0.000) 12.023 7.721 ( -3.884 4.633 0.000) 6.046 7.768 ( -9.651 -13.715 0.000) 16.770 7.895 ( -1.819 -10.205 0.000) 10.366 8.352 ( -0.781 -2.893 0.000) 2.997 8.464 ( -9.081 6.840 0.000) 11.369 8.580 ( 1.187 1.484 0.000) 1.901 8.643 ( 0.407 -5.566 0.000) 5.581 8.818 ( 3.615 3.838 0.000) 5.272 8.954 ( -2.023 3.925 0.000) 4.416 9.081 ( 1.095 -9.978 0.000) 10.038 9.124 ( 0.856 -12.015 0.000) 12.046 9.849 ( 3.027 0.609 0.000) 3.087 10.047 ( -7.212 -8.263 0.000) 10.968 10.365 ( 7.303 8.819 0.000) 11.451 10.713 ( -8.017 6.769 0.000) 10.493 10.873 ( 8.455 10.440 0.000) 13.435 11.208 ( 6.116 -5.707 0.000) 8.365 11.480 ( -2.176 5.483 0.000) 5.899 11.733 ( -4.740 -4.127 0.000) 6.285 11.950 ( -1.094 -3.222 0.000) 3.402 12.040 ( -3.113 -3.630 0.000) 4.782 12.217 ( -0.469 5.015 0.000) 5.037 12.226 ( -1.979 8.720 0.000) 8.942 12.976 ( 5.036 -8.557 0.000) 9.929 13.122 ( -0.357 -13.702 0.000) 13.707 13.652 ( 1.904 14.030 0.000) 14.158 13.787 ( -3.782 9.623 0.000) 10.340 15.078 ( 12.856 -9.017 0.000) 15.702 15.506 ( -5.497 -20.150 0.000) 20.887 19.010 ( 1.658 10.548 0.000) 10.678 19.213 ( -9.091 27.205 0.000) 28.684 19.770 ( 0.262 1.438 0.000) 1.462 19.801 ( -1.280 4.964 0.000) 5.126 20.233 ( 12.210 -4.048 0.000) 12.863 20.316 ( 10.904 -0.348 0.000) 10.909 20.464 ( -3.438 -3.607 0.000) 4.983 21.045 ( -16.775 -3.010 0.000) 17.042 21.897 ( 5.768 5.945 0.000) 8.283 22.074 ( -2.245 4.761 0.000) 5.264 23.115 ( 4.258 -7.060 0.000) 8.244 23.361 ( -6.550 -11.603 0.000) 13.325 ======================= Grid point 13 (10/120) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( -20.949 10.177 0.000) 23.290 2.658 ( 20.949 10.177 0.000) 23.290 2.946 ( -22.521 11.872 0.000) 25.459 2.946 ( 22.521 11.872 0.000) 25.459 3.990 ( -12.305 -5.103 0.000) 13.321 3.990 ( 12.305 -5.103 0.000) 13.321 4.449 ( -20.952 4.630 0.000) 21.458 4.449 ( 20.952 4.630 0.000) 21.458 4.712 ( -5.376 -0.451 0.000) 5.395 4.712 ( 5.376 -0.451 0.000) 5.395 5.133 ( -8.203 -16.954 0.000) 18.834 5.133 ( 8.203 -16.954 0.000) 18.834 6.101 ( -2.845 6.406 0.000) 7.010 6.101 ( 2.845 6.406 0.000) 7.010 6.859 ( -3.087 4.956 0.000) 5.838 6.859 ( 3.087 4.956 0.000) 5.838 7.012 ( -9.348 5.303 0.000) 10.748 7.012 ( 9.348 5.303 0.000) 10.748 7.634 ( -3.881 6.912 0.000) 7.927 7.634 ( 3.881 6.912 0.000) 7.927 7.795 ( -7.022 -9.458 0.000) 11.780 7.795 ( 7.022 -9.458 0.000) 11.780 8.349 ( -1.642 3.162 0.000) 3.563 8.349 ( 1.642 3.162 0.000) 3.563 8.621 ( -2.080 -1.921 0.000) 2.831 8.621 ( 2.080 -1.921 0.000) 2.831 8.896 ( -3.396 2.642 0.000) 4.302 8.896 ( 3.396 2.642 0.000) 4.302 9.113 ( -1.457 -11.262 0.000) 11.356 9.113 ( 1.457 -11.262 0.000) 11.356 9.927 ( -4.427 -4.425 0.000) 6.259 9.927 ( 4.427 -4.425 0.000) 6.259 10.535 ( -8.432 7.600 0.000) 11.352 10.535 ( 8.432 7.600 0.000) 11.352 11.099 ( -11.383 6.618 0.000) 13.167 11.099 ( 11.383 6.618 0.000) 13.167 11.585 ( -8.448 -3.829 0.000) 9.275 11.585 ( 8.448 -3.829 0.000) 9.275 11.975 ( -2.701 -2.207 0.000) 3.488 11.975 ( 2.701 -2.207 0.000) 3.488 12.210 ( -0.054 6.151 0.000) 6.152 12.210 ( 0.054 6.151 0.000) 6.152 13.074 ( -3.793 -12.089 0.000) 12.670 13.074 ( 3.793 -12.089 0.000) 12.670 13.710 ( -3.346 12.864 0.000) 13.292 13.710 ( 3.346 12.864 0.000) 13.292 15.330 ( -10.529 -13.335 0.000) 16.990 15.330 ( 10.529 -13.335 0.000) 16.990 19.074 ( -4.484 16.784 0.000) 17.373 19.074 ( 4.484 16.784 0.000) 17.373 19.780 ( -0.736 3.382 0.000) 3.461 19.780 ( 0.736 3.382 0.000) 3.461 20.378 ( -4.723 -3.487 0.000) 5.871 20.378 ( 4.723 -3.487 0.000) 5.871 20.667 ( -18.325 -2.569 0.000) 18.504 20.667 ( 18.325 -2.569 0.000) 18.504 22.005 ( -4.255 5.135 0.000) 6.669 22.005 ( 4.255 5.135 0.000) 6.669 23.224 ( -5.992 -8.885 0.000) 10.717 23.224 ( 5.992 -8.885 0.000) 10.717 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 32.186 0.000) 32.186 1.640 ( 0.000 42.812 0.000) 42.812 2.013 ( 0.000 40.806 0.000) 40.806 3.403 ( 0.000 -23.771 0.000) 23.771 3.765 ( 0.000 -25.802 0.000) 25.802 4.214 ( 0.000 -13.130 0.000) 13.130 4.325 ( 0.000 0.849 0.000) 0.849 4.347 ( 0.000 -4.333 0.000) 4.333 4.521 ( 0.000 8.760 0.000) 8.760 4.532 ( 0.000 8.674 0.000) 8.674 5.255 ( 0.000 -12.238 0.000) 12.238 5.273 ( 0.000 -16.087 0.000) 16.087 5.696 ( 0.000 27.239 0.000) 27.239 6.655 ( 0.000 25.442 0.000) 25.442 7.084 ( 0.000 16.810 0.000) 16.810 7.237 ( 0.000 -26.378 0.000) 26.378 7.411 ( 0.000 3.432 0.000) 3.432 7.489 ( 0.000 -3.930 0.000) 3.930 7.553 ( 0.000 15.003 0.000) 15.003 7.647 ( 0.000 -4.183 0.000) 4.183 8.013 ( 0.000 11.735 0.000) 11.735 8.096 ( 0.000 -16.398 0.000) 16.398 8.126 ( 0.000 -2.413 0.000) 2.413 8.184 ( 0.000 5.399 0.000) 5.399 8.534 ( 0.000 -12.653 0.000) 12.653 8.559 ( 0.000 -6.578 0.000) 6.578 8.696 ( 0.000 -16.875 0.000) 16.875 8.873 ( 0.000 -14.600 0.000) 14.600 9.448 ( 0.000 25.269 0.000) 25.269 9.568 ( 0.000 8.553 0.000) 8.553 9.889 ( 0.000 -2.100 0.000) 2.100 9.923 ( 0.000 13.444 0.000) 13.444 10.486 ( 0.000 -7.544 0.000) 7.544 10.788 ( 0.000 -15.266 0.000) 15.266 10.829 ( 0.000 5.940 0.000) 5.940 11.187 ( 0.000 6.509 0.000) 6.509 11.473 ( 0.000 -7.819 0.000) 7.819 11.717 ( 0.000 7.343 0.000) 7.343 11.981 ( 0.000 -3.514 0.000) 3.514 12.001 ( 0.000 -10.520 0.000) 10.520 12.348 ( 0.000 6.781 0.000) 6.781 12.710 ( 0.000 -5.040 0.000) 5.040 12.791 ( 0.000 13.708 0.000) 13.708 13.026 ( 0.000 1.485 0.000) 1.485 13.833 ( 0.000 1.549 0.000) 1.549 14.081 ( 0.000 4.680 0.000) 4.680 14.379 ( 0.000 -4.248 0.000) 4.248 14.380 ( 0.000 -11.905 0.000) 11.905 19.139 ( 0.000 4.271 0.000) 4.271 19.406 ( 0.000 -4.089 0.000) 4.089 19.946 ( 0.000 1.962 0.000) 1.962 19.954 ( 0.000 7.654 0.000) 7.654 19.978 ( 0.000 0.444 0.000) 0.444 20.467 ( 0.000 -7.883 0.000) 7.883 21.544 ( 0.000 0.374 0.000) 0.374 21.604 ( 0.000 -2.122 0.000) 2.122 22.241 ( 0.000 8.690 0.000) 8.690 22.250 ( 0.000 7.800 0.000) 7.800 22.655 ( 0.000 -5.140 0.000) 5.140 22.852 ( 0.000 -9.473 0.000) 9.473 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 23.831 24.283 0.000) 34.023 1.802 ( 14.354 38.709 0.000) 41.285 2.224 ( 19.555 31.122 0.000) 36.756 3.437 ( 4.712 -15.046 0.000) 15.767 3.792 ( 1.549 -20.808 0.000) 20.865 4.275 ( -2.914 -3.081 0.000) 4.240 4.300 ( 4.842 -7.831 0.000) 9.207 4.370 ( -0.519 -2.322 0.000) 2.379 4.461 ( -4.447 5.533 0.000) 7.099 4.493 ( -0.729 6.502 0.000) 6.543 5.218 ( -5.083 -16.316 0.000) 17.090 5.223 ( -2.979 -13.107 0.000) 13.441 5.654 ( -1.887 24.596 0.000) 24.668 6.635 ( -1.896 26.418 0.000) 26.486 7.040 ( -12.527 -18.407 0.000) 22.265 7.138 ( 5.009 14.676 0.000) 15.507 7.442 ( -4.385 -1.116 0.000) 4.525 7.537 ( 5.654 -2.208 0.000) 6.070 7.573 ( 1.751 14.517 0.000) 14.622 7.624 ( -2.341 -0.077 0.000) 2.342 8.029 ( 0.499 10.399 0.000) 10.411 8.056 ( -4.958 -9.845 0.000) 11.023 8.130 ( 0.963 -9.077 0.000) 9.128 8.239 ( 5.167 -0.729 0.000) 5.219 8.539 ( 0.214 -12.046 0.000) 12.048 8.568 ( 0.491 -7.151 0.000) 7.168 8.714 ( 1.793 -17.368 0.000) 17.460 8.868 ( -0.443 -14.129 0.000) 14.136 9.379 ( -12.839 14.315 0.000) 19.230 9.380 ( -5.859 22.295 0.000) 23.052 9.803 ( -0.187 1.131 0.000) 1.146 10.248 ( 16.589 5.927 0.000) 17.616 10.324 ( -12.657 -9.241 0.000) 15.671 10.716 ( -3.708 -9.038 0.000) 9.769 10.864 ( 2.833 8.562 0.000) 9.018 11.161 ( -2.896 8.932 0.000) 9.390 11.548 ( 5.712 -8.687 0.000) 10.397 11.712 ( -0.420 7.627 0.000) 7.639 11.963 ( -1.759 -4.318 0.000) 4.663 11.990 ( -1.065 -10.472 0.000) 10.526 12.346 ( -0.231 6.793 0.000) 6.797 12.715 ( -7.425 11.332 0.000) 13.548 12.720 ( 0.954 -5.612 0.000) 5.693 12.962 ( -3.238 -0.178 0.000) 3.242 13.807 ( 0.405 7.386 0.000) 7.397 14.057 ( -1.627 6.493 0.000) 6.693 14.464 ( 7.191 -6.079 0.000) 9.416 14.658 ( 18.409 -22.245 0.000) 28.874 19.134 ( 0.059 6.098 0.000) 6.098 19.490 ( 7.124 -5.446 0.000) 8.967 19.932 ( 0.196 3.166 0.000) 3.172 19.939 ( -1.431 7.648 0.000) 7.781 20.036 ( 4.063 -0.726 0.000) 4.127 20.451 ( -1.668 -7.931 0.000) 8.105 21.139 ( -37.800 20.566 0.000) 43.032 21.490 ( -6.463 -2.313 0.000) 6.865 21.966 ( -4.578 17.593 0.000) 18.179 22.240 ( -0.123 8.732 0.000) 8.733 22.860 ( 0.783 -9.707 0.000) 9.739 22.997 ( 12.334 -20.580 0.000) 23.993 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 22.484 21.233 0.000) 30.925 2.198 ( 21.797 30.816 0.000) 37.746 2.769 ( 28.198 5.680 0.000) 28.765 3.662 ( 17.061 3.311 0.000) 17.379 3.729 ( -9.752 -0.618 0.000) 9.771 4.158 ( -13.967 12.335 0.000) 18.634 4.270 ( 4.474 -15.873 0.000) 16.492 4.307 ( -4.776 -2.426 0.000) 5.357 4.534 ( 3.752 1.481 0.000) 4.034 4.553 ( 7.872 -6.247 0.000) 10.049 5.071 ( -8.306 -15.373 0.000) 17.474 5.127 ( -6.118 -16.291 0.000) 17.402 5.699 ( 7.183 14.524 0.000) 16.203 6.576 ( -3.787 26.051 0.000) 26.325 6.784 ( -10.494 -16.584 0.000) 19.625 7.237 ( -1.882 5.262 0.000) 5.589 7.355 ( 2.332 10.571 0.000) 10.825 7.493 ( -7.187 10.696 0.000) 12.886 7.618 ( 1.678 11.571 0.000) 11.692 7.658 ( 3.466 -4.055 0.000) 5.335 7.866 ( -12.332 -6.303 0.000) 13.849 8.009 ( -2.312 10.098 0.000) 10.359 8.162 ( 1.777 -10.808 0.000) 10.953 8.369 ( 6.077 -8.513 0.000) 10.460 8.536 ( -0.329 -9.839 0.000) 9.844 8.548 ( -3.073 -8.128 0.000) 8.690 8.769 ( 2.915 -18.718 0.000) 18.944 8.856 ( -0.582 -13.565 0.000) 13.577 9.144 ( -8.199 18.187 0.000) 19.950 9.238 ( -6.653 16.421 0.000) 17.717 9.809 ( -0.049 -2.566 0.000) 2.566 10.048 ( -11.740 -10.994 0.000) 16.084 10.476 ( 4.777 11.221 0.000) 12.196 10.810 ( 13.210 -6.880 0.000) 14.894 10.936 ( 3.199 10.917 0.000) 11.376 11.076 ( -3.963 12.689 0.000) 13.293 11.646 ( 2.230 -8.345 0.000) 8.638 11.686 ( -2.800 6.369 0.000) 6.957 11.911 ( -2.607 -4.845 0.000) 5.502 11.958 ( -1.692 -10.182 0.000) 10.322 12.340 ( -0.302 6.900 0.000) 6.907 12.531 ( -8.231 10.305 0.000) 13.189 12.751 ( 1.901 -7.314 0.000) 7.557 12.920 ( -1.356 -6.738 0.000) 6.873 13.856 ( 3.414 13.073 0.000) 13.512 14.028 ( -1.040 10.022 0.000) 10.076 14.650 ( 9.722 -9.759 0.000) 13.775 14.972 ( 9.919 -26.829 0.000) 28.604 19.162 ( 2.855 10.017 0.000) 10.416 19.664 ( 8.023 -5.853 0.000) 9.931 19.888 ( -3.916 8.637 0.000) 9.483 19.982 ( 5.273 2.754 0.000) 5.948 20.137 ( 5.435 -2.014 0.000) 5.796 20.311 ( -19.440 13.465 0.000) 23.648 20.489 ( -11.435 13.238 0.000) 17.493 21.280 ( -13.113 -5.410 0.000) 14.186 21.977 ( 3.338 14.246 0.000) 14.632 22.233 ( -0.667 8.903 0.000) 8.928 22.886 ( 1.625 -10.519 0.000) 10.644 23.112 ( 0.310 -21.715 0.000) 21.717 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 21.189 18.987 0.000) 28.451 2.682 ( 22.586 23.028 0.000) 32.256 3.271 ( 15.580 -7.321 0.000) 17.214 3.412 ( -18.009 11.872 0.000) 21.569 3.840 ( -12.203 13.689 0.000) 18.339 4.130 ( 23.929 12.813 0.000) 27.144 4.153 ( -10.201 -4.453 0.000) 11.131 4.443 ( 10.004 -19.359 0.000) 21.791 4.625 ( 4.350 -1.679 0.000) 4.663 4.671 ( 3.010 -0.719 0.000) 3.095 4.886 ( -8.921 -10.085 0.000) 13.465 4.963 ( -9.207 -19.893 0.000) 21.921 5.945 ( 14.139 4.884 0.000) 14.959 6.452 ( -8.575 18.778 0.000) 20.643 6.659 ( 0.865 -12.876 0.000) 12.905 7.097 ( -6.658 6.591 0.000) 9.368 7.322 ( -8.091 15.171 0.000) 17.194 7.413 ( -15.700 5.779 0.000) 16.730 7.537 ( 5.784 -0.400 0.000) 5.798 7.707 ( 0.827 -0.990 0.000) 1.290 7.760 ( 3.373 11.156 0.000) 11.655 7.940 ( -3.901 9.177 0.000) 9.971 8.201 ( 2.114 -9.987 0.000) 10.208 8.409 ( -5.976 -7.921 0.000) 9.923 8.499 ( 2.551 -9.330 0.000) 9.672 8.536 ( 0.369 -8.110 0.000) 8.118 8.818 ( 1.438 -19.048 0.000) 19.102 8.842 ( -0.715 -14.062 0.000) 14.080 9.046 ( -1.423 16.279 0.000) 16.341 9.120 ( -4.256 12.842 0.000) 13.529 9.797 ( -0.695 -6.310 0.000) 6.348 9.861 ( -5.678 -11.115 0.000) 12.481 10.584 ( 6.359 13.299 0.000) 14.741 10.892 ( -6.458 11.881 0.000) 13.522 11.115 ( 6.847 14.468 0.000) 16.006 11.120 ( 13.778 -4.178 0.000) 14.397 11.564 ( -8.160 4.085 0.000) 9.125 11.615 ( -4.983 -8.216 0.000) 9.608 11.883 ( 0.127 -4.237 0.000) 4.239 11.927 ( -1.195 -8.616 0.000) 8.698 12.336 ( 0.052 7.217 0.000) 7.217 12.400 ( -4.060 9.218 0.000) 10.072 12.798 ( 2.393 -9.666 0.000) 9.958 12.889 ( -1.655 -10.838 0.000) 10.964 13.929 ( 3.072 15.890 0.000) 16.185 14.009 ( -0.948 13.500 0.000) 13.533 14.855 ( 9.107 -14.067 0.000) 16.757 15.078 ( 0.527 -23.774 0.000) 23.780 19.261 ( 6.535 14.979 0.000) 16.342 19.713 ( -13.093 20.312 0.000) 24.166 19.791 ( 4.108 -0.015 0.000) 4.108 19.966 ( -7.953 13.506 0.000) 15.674 20.158 ( 9.204 -3.185 0.000) 9.740 20.284 ( 9.882 -3.027 0.000) 10.335 20.386 ( -3.595 -3.077 0.000) 4.732 20.954 ( -16.960 -6.914 0.000) 18.315 22.065 ( 4.417 12.021 0.000) 12.807 22.207 ( -1.870 9.365 0.000) 9.550 22.930 ( 2.595 -12.185 0.000) 12.458 23.070 ( -3.293 -18.485 0.000) 18.776 ======================= Grid point 22 (15/120) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -14.954 15.466 0.000) 21.513 2.908 ( 14.954 15.466 0.000) 21.513 3.221 ( -12.597 15.201 0.000) 19.742 3.221 ( 12.597 15.201 0.000) 19.742 3.888 ( -13.066 -4.381 0.000) 13.781 3.888 ( 13.066 -4.381 0.000) 13.781 4.535 ( -9.165 2.562 0.000) 9.516 4.535 ( 9.165 2.562 0.000) 9.516 4.703 ( -1.022 -0.730 0.000) 1.256 4.703 ( 1.022 -0.730 0.000) 1.256 4.764 ( -6.719 -19.772 0.000) 20.883 4.764 ( 6.719 -19.772 0.000) 20.883 6.223 ( -11.981 7.154 0.000) 13.954 6.223 ( 11.981 7.154 0.000) 13.954 6.867 ( -16.152 -6.880 0.000) 17.556 6.867 ( 16.152 -6.880 0.000) 17.556 7.199 ( -1.359 14.846 0.000) 14.908 7.199 ( 1.359 14.846 0.000) 14.908 7.672 ( -4.395 3.281 0.000) 5.485 7.672 ( 4.395 3.281 0.000) 5.485 7.852 ( -4.426 9.087 0.000) 10.108 7.852 ( 4.426 9.087 0.000) 10.108 8.273 ( -5.179 -7.479 0.000) 9.097 8.273 ( 5.179 -7.479 0.000) 9.097 8.539 ( -0.575 -8.758 0.000) 8.777 8.539 ( 0.575 -8.758 0.000) 8.777 8.832 ( -0.251 -16.597 0.000) 16.599 8.832 ( 0.251 -16.597 0.000) 16.599 9.056 ( -1.882 12.966 0.000) 13.102 9.056 ( 1.882 12.966 0.000) 13.102 9.796 ( -1.000 -9.373 0.000) 9.426 9.796 ( 1.000 -9.373 0.000) 9.426 10.737 ( -7.615 13.346 0.000) 15.365 10.737 ( 7.615 13.346 0.000) 15.365 11.271 ( -4.556 10.899 0.000) 11.813 11.271 ( 4.556 10.899 0.000) 11.813 11.474 ( -5.233 -7.720 0.000) 9.327 11.474 ( 5.233 -7.720 0.000) 9.327 11.902 ( -1.225 -5.983 0.000) 6.107 11.902 ( 1.225 -5.983 0.000) 6.107 12.347 ( -1.231 7.938 0.000) 8.033 12.347 ( 1.231 7.938 0.000) 8.033 12.848 ( -2.204 -11.368 0.000) 11.579 12.848 ( 2.204 -11.368 0.000) 11.579 13.981 ( -1.815 15.790 0.000) 15.894 13.981 ( 1.815 15.790 0.000) 15.894 15.017 ( -5.741 -18.858 0.000) 19.712 15.017 ( 5.741 -18.858 0.000) 19.712 19.444 ( -10.851 20.330 0.000) 23.045 19.444 ( 10.851 20.330 0.000) 23.045 19.865 ( -3.396 5.202 0.000) 6.213 19.865 ( 3.396 5.202 0.000) 6.213 20.299 ( -4.841 -4.091 0.000) 6.338 20.299 ( 4.841 -4.091 0.000) 6.338 20.586 ( -16.961 -6.196 0.000) 18.057 20.586 ( 16.961 -6.196 0.000) 18.057 22.151 ( -3.441 10.362 0.000) 10.918 22.151 ( 3.441 10.362 0.000) 10.918 22.995 ( -3.468 -14.925 0.000) 15.323 22.995 ( 3.468 -14.925 0.000) 15.323 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 0.000 30.786 0.000) 30.786 2.288 ( 0.000 -15.218 0.000) 15.218 2.425 ( 0.000 40.728 0.000) 40.728 3.156 ( 0.000 -36.778 0.000) 36.778 3.359 ( 0.000 22.146 0.000) 22.146 3.856 ( 0.000 -24.740 0.000) 24.740 4.334 ( 0.000 0.563 0.000) 0.563 4.337 ( 0.000 0.300 0.000) 0.300 4.719 ( 0.000 12.235 0.000) 12.235 4.739 ( 0.000 12.898 0.000) 12.898 4.976 ( 0.000 -15.090 0.000) 15.090 4.998 ( 0.000 -14.302 0.000) 14.302 6.206 ( 0.000 27.166 0.000) 27.166 6.721 ( 0.000 -27.853 0.000) 27.853 7.087 ( 0.000 19.642 0.000) 19.642 7.367 ( 0.000 -10.076 0.000) 10.076 7.436 ( 0.000 19.202 0.000) 19.202 7.486 ( 0.000 4.411 0.000) 4.411 7.569 ( 0.000 -4.335 0.000) 4.335 7.774 ( 0.000 -17.406 0.000) 17.406 7.859 ( 0.000 18.267 0.000) 18.267 8.166 ( 0.000 6.757 0.000) 6.757 8.238 ( 0.000 -20.031 0.000) 20.031 8.240 ( 0.000 11.137 0.000) 11.137 8.324 ( 0.000 10.587 0.000) 10.587 8.368 ( 0.000 -14.788 0.000) 14.788 8.414 ( 0.000 -8.383 0.000) 8.383 8.582 ( 0.000 -15.571 0.000) 15.571 9.719 ( 0.000 7.107 0.000) 7.107 9.828 ( 0.000 -4.482 0.000) 4.482 9.906 ( 0.000 22.703 0.000) 22.703 10.201 ( 0.000 15.668 0.000) 15.668 10.270 ( 0.000 -15.624 0.000) 15.624 10.497 ( 0.000 -15.771 0.000) 15.771 10.971 ( 0.000 9.184 0.000) 9.184 11.160 ( 0.000 -9.682 0.000) 9.682 11.510 ( 0.000 11.910 0.000) 11.910 11.767 ( 0.000 -13.914 0.000) 13.914 11.830 ( 0.000 4.986 0.000) 4.986 11.912 ( 0.000 -3.923 0.000) 3.923 12.479 ( 0.000 6.942 0.000) 6.942 12.603 ( 0.000 -6.266 0.000) 6.266 12.992 ( 0.000 6.714 0.000) 6.714 13.046 ( 0.000 0.026 0.000) 0.026 13.922 ( 0.000 8.429 0.000) 8.429 14.135 ( 0.000 -13.305 0.000) 13.305 14.180 ( 0.000 5.706 0.000) 5.706 14.286 ( 0.000 -5.453 0.000) 5.453 19.228 ( 0.000 4.988 0.000) 4.988 19.321 ( 0.000 -4.845 0.000) 4.845 19.974 ( 0.000 1.004 0.000) 1.004 19.983 ( 0.000 -0.025 0.000) 0.025 20.118 ( 0.000 9.515 0.000) 9.515 20.300 ( 0.000 -9.620 0.000) 9.620 21.554 ( 0.000 0.701 0.000) 0.701 21.572 ( 0.000 -1.286 0.000) 1.286 22.400 ( 0.000 7.934 0.000) 7.934 22.431 ( 0.000 11.305 0.000) 11.305 22.541 ( 0.000 -6.945 0.000) 6.945 22.650 ( 0.000 -11.633 0.000) 11.633 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 15.941 24.813 0.000) 29.493 2.390 ( 9.647 -13.793 0.000) 16.832 2.532 ( 9.734 38.682 0.000) 39.888 3.231 ( 6.798 -35.215 0.000) 35.866 3.516 ( 14.387 22.894 0.000) 27.039 3.989 ( 11.713 -22.903 0.000) 25.724 4.296 ( -2.915 2.825 0.000) 4.059 4.341 ( -1.003 -1.812 0.000) 2.071 4.667 ( -3.882 11.711 0.000) 12.338 4.668 ( -6.528 13.827 0.000) 15.291 4.920 ( -4.870 -15.003 0.000) 15.773 4.947 ( -4.801 -15.403 0.000) 16.134 6.124 ( -6.249 25.376 0.000) 26.134 6.604 ( -9.248 -25.598 0.000) 27.217 7.080 ( -1.133 19.690 0.000) 19.723 7.321 ( -2.780 -4.039 0.000) 4.904 7.489 ( 3.319 12.472 0.000) 12.906 7.550 ( 4.800 2.866 0.000) 5.591 7.607 ( 2.582 -2.453 0.000) 3.562 7.760 ( -0.674 -13.345 0.000) 13.362 7.882 ( 0.896 14.756 0.000) 14.783 8.139 ( -2.029 6.168 0.000) 6.493 8.236 ( -0.552 9.591 0.000) 9.607 8.253 ( 0.889 -17.990 0.000) 18.012 8.294 ( -2.177 5.363 0.000) 5.788 8.375 ( 0.882 -15.929 0.000) 15.954 8.438 ( 1.338 -4.278 0.000) 4.482 8.589 ( 0.462 -14.658 0.000) 14.665 9.622 ( -7.790 10.982 0.000) 13.465 9.773 ( -3.367 -4.822 0.000) 5.881 9.784 ( -10.166 19.919 0.000) 22.363 10.106 ( -12.934 -14.311 0.000) 19.290 10.373 ( 12.926 7.748 0.000) 15.070 10.537 ( 4.144 -9.519 0.000) 10.382 11.040 ( 5.279 10.316 0.000) 11.589 11.227 ( 4.423 -7.031 0.000) 8.306 11.509 ( 0.222 9.555 0.000) 9.558 11.756 ( -1.048 -13.921 0.000) 13.960 11.819 ( -1.129 4.303 0.000) 4.449 11.890 ( -2.058 -3.613 0.000) 4.158 12.477 ( -0.132 7.046 0.000) 7.047 12.605 ( 0.194 -6.556 0.000) 6.559 12.886 ( -8.569 6.366 0.000) 10.675 12.955 ( -6.837 -1.408 0.000) 6.980 13.994 ( 6.334 13.024 0.000) 14.482 14.192 ( 1.245 7.664 0.000) 7.765 14.288 ( 11.386 -17.855 0.000) 21.177 14.335 ( 4.251 -7.440 0.000) 8.569 19.256 ( 2.870 6.738 0.000) 7.324 19.379 ( 5.247 -6.300 0.000) 8.199 19.983 ( 1.362 2.252 0.000) 2.632 20.017 ( 2.671 -1.353 0.000) 2.994 20.102 ( -1.476 9.467 0.000) 9.582 20.284 ( -1.593 -9.590 0.000) 9.722 21.358 ( -18.367 6.359 0.000) 19.437 21.441 ( -10.490 -3.155 0.000) 10.954 22.310 ( -2.966 18.172 0.000) 18.412 22.432 ( 0.031 11.433 0.000) 11.433 22.644 ( 4.532 -17.806 0.000) 18.374 22.654 ( 0.355 -11.849 0.000) 11.854 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 174 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 20.348 17.839 0.000) 27.060 2.686 ( 17.486 -12.521 0.000) 21.507 2.810 ( 15.572 33.497 0.000) 36.940 3.413 ( 9.027 -29.071 0.000) 30.440 3.926 ( 22.558 20.950 0.000) 30.786 4.186 ( -7.491 4.491 0.000) 8.734 4.271 ( -5.867 -3.298 0.000) 6.730 4.283 ( 12.166 -12.201 0.000) 17.230 4.486 ( -8.231 12.040 0.000) 14.584 4.615 ( -0.167 7.084 0.000) 7.086 4.798 ( -9.053 -18.093 0.000) 20.232 4.803 ( -5.167 -12.655 0.000) 13.669 6.019 ( -1.935 19.352 0.000) 19.448 6.410 ( -7.332 -21.662 0.000) 22.869 7.008 ( -6.433 18.936 0.000) 19.998 7.246 ( -5.228 -5.688 0.000) 7.726 7.549 ( 1.363 8.998 0.000) 9.101 7.635 ( -0.463 3.835 0.000) 3.863 7.649 ( 4.083 1.342 0.000) 4.298 7.748 ( -0.835 -10.555 0.000) 10.588 7.855 ( -2.604 17.383 0.000) 17.577 8.115 ( 0.396 5.651 0.000) 5.665 8.194 ( -3.798 7.370 0.000) 8.291 8.260 ( -0.695 -2.962 0.000) 3.042 8.267 ( 0.851 -15.699 0.000) 15.722 8.414 ( 2.671 -17.084 0.000) 17.292 8.443 ( -1.072 -0.251 0.000) 1.101 8.595 ( -0.064 -13.238 0.000) 13.238 9.460 ( -6.635 15.104 0.000) 16.496 9.550 ( -10.339 16.018 0.000) 19.064 9.695 ( -3.844 -9.584 0.000) 10.327 9.824 ( -11.983 -13.179 0.000) 17.812 10.633 ( 9.475 5.740 0.000) 11.078 10.715 ( 13.534 -3.863 0.000) 14.074 11.146 ( 3.521 11.265 0.000) 11.802 11.283 ( 1.113 2.899 0.000) 3.106 11.524 ( 0.504 1.376 0.000) 1.465 11.727 ( -1.360 -13.831 0.000) 13.898 11.772 ( -3.738 3.347 0.000) 5.018 11.833 ( -2.836 -3.528 0.000) 4.527 12.475 ( -0.074 7.345 0.000) 7.345 12.613 ( 0.501 -7.379 0.000) 7.396 12.697 ( -8.126 7.347 0.000) 10.955 12.813 ( -5.932 -5.390 0.000) 8.015 14.144 ( 6.761 17.726 0.000) 18.971 14.232 ( 2.358 11.483 0.000) 11.722 14.449 ( 6.005 -11.398 0.000) 12.883 14.517 ( 8.945 -22.032 0.000) 23.779 19.356 ( 6.532 10.169 0.000) 12.087 19.531 ( 8.676 -8.336 0.000) 12.031 20.037 ( 3.770 3.017 0.000) 4.829 20.054 ( -3.181 9.242 0.000) 9.774 20.092 ( 4.395 -2.749 0.000) 5.184 20.227 ( -4.034 -8.844 0.000) 9.720 20.899 ( -22.102 17.919 0.000) 28.453 21.146 ( -16.485 -9.375 0.000) 18.965 22.301 ( 1.369 19.778 0.000) 19.825 22.431 ( -0.241 11.901 0.000) 11.904 22.664 ( 0.577 -12.604 0.000) 12.618 22.697 ( 0.946 -22.034 0.000) 22.054 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 19.599 15.946 0.000) 25.267 3.082 ( 18.362 -12.291 0.000) 22.096 3.147 ( 14.382 25.116 0.000) 28.942 3.506 ( -3.407 -7.513 0.000) 8.250 4.042 ( -6.755 -3.039 0.000) 7.407 4.134 ( -1.499 -10.422 0.000) 10.529 4.161 ( -13.382 19.466 0.000) 23.622 4.378 ( 16.220 10.665 0.000) 19.412 4.578 ( -9.186 -18.459 0.000) 20.618 4.604 ( 7.581 -7.269 0.000) 10.503 4.647 ( 2.362 2.709 0.000) 3.594 4.729 ( -2.028 -6.306 0.000) 6.624 6.095 ( 9.500 11.554 0.000) 14.958 6.368 ( 5.176 -16.573 0.000) 17.363 6.775 ( -15.661 15.775 0.000) 22.229 7.045 ( -15.069 -12.106 0.000) 19.330 7.505 ( -3.011 12.891 0.000) 13.238 7.586 ( -3.721 11.998 0.000) 12.562 7.719 ( 2.428 -1.140 0.000) 2.682 7.746 ( 0.732 -3.964 0.000) 4.032 7.862 ( 3.411 13.305 0.000) 13.735 8.089 ( -5.658 6.332 0.000) 8.492 8.146 ( 2.259 0.526 0.000) 2.320 8.245 ( -1.135 -9.955 0.000) 10.019 8.303 ( 2.343 -9.668 0.000) 9.948 8.402 ( -2.402 3.329 0.000) 4.105 8.476 ( 2.985 -16.033 0.000) 16.308 8.580 ( -1.398 -13.034 0.000) 13.109 9.355 ( -3.188 15.811 0.000) 16.129 9.383 ( -5.165 14.217 0.000) 15.127 9.621 ( -2.879 -12.201 0.000) 12.536 9.637 ( -5.382 -12.806 0.000) 13.891 10.827 ( 9.071 11.970 0.000) 15.019 11.015 ( 13.522 -7.764 0.000) 15.593 11.136 ( -4.156 13.446 0.000) 14.074 11.332 ( 2.834 -0.368 0.000) 2.858 11.492 ( -3.114 3.835 0.000) 4.940 11.657 ( -6.579 6.120 0.000) 8.985 11.718 ( 0.649 -13.242 0.000) 13.258 11.782 ( -2.069 -6.507 0.000) 6.828 12.477 ( 0.414 7.760 0.000) 7.771 12.562 ( -4.507 8.136 0.000) 9.300 12.628 ( 0.985 -8.446 0.000) 8.504 12.713 ( -3.541 -8.313 0.000) 9.036 14.257 ( 3.707 19.218 0.000) 19.573 14.280 ( 1.876 15.272 0.000) 15.386 14.572 ( 5.221 -15.637 0.000) 16.485 14.646 ( 3.066 -22.079 0.000) 22.291 19.532 ( 10.026 13.193 0.000) 16.571 19.729 ( 9.464 -7.170 0.000) 11.873 19.959 ( -6.204 9.439 0.000) 11.295 20.098 ( -8.198 -3.786 0.000) 9.030 20.145 ( 6.138 1.984 0.000) 6.451 20.211 ( 7.430 -4.323 0.000) 8.596 20.502 ( -14.229 15.436 0.000) 20.993 20.777 ( -17.444 -12.242 0.000) 21.311 22.344 ( 2.311 17.435 0.000) 17.587 22.419 ( -0.943 12.949 0.000) 12.984 22.678 ( 0.644 -14.188 0.000) 14.203 22.701 ( -0.295 -20.102 0.000) 20.104 ======================= Grid point 31 (20/120) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( -13.915 14.119 0.000) 19.823 3.196 ( 13.915 14.119 0.000) 19.823 3.375 ( -6.471 -2.206 0.000) 6.837 3.375 ( 6.471 -2.206 0.000) 6.837 3.939 ( -3.344 12.656 0.000) 13.090 3.939 ( 3.344 12.656 0.000) 13.090 4.291 ( -11.730 -21.796 0.000) 24.752 4.291 ( 11.730 -21.796 0.000) 24.752 4.654 ( -4.915 2.475 0.000) 5.503 4.654 ( 4.915 2.475 0.000) 5.503 4.690 ( -1.033 -1.180 0.000) 1.568 4.690 ( 1.033 -1.180 0.000) 1.568 6.397 ( -17.809 11.693 0.000) 21.304 6.397 ( 17.809 11.693 0.000) 21.304 6.648 ( -19.174 -14.173 0.000) 23.843 6.648 ( 19.174 -14.173 0.000) 23.843 7.508 ( -2.775 16.652 0.000) 16.882 7.508 ( 2.775 16.652 0.000) 16.882 7.750 ( -0.517 -4.499 0.000) 4.529 7.750 ( 0.517 -4.499 0.000) 4.529 7.966 ( -5.724 9.072 0.000) 10.727 7.966 ( 5.724 9.072 0.000) 10.727 8.203 ( -2.709 -6.446 0.000) 6.992 8.203 ( 2.709 -6.446 0.000) 6.992 8.353 ( -2.239 -1.472 0.000) 2.680 8.353 ( 2.239 -1.472 0.000) 2.680 8.536 ( -2.576 -14.107 0.000) 14.340 8.536 ( 2.576 -14.107 0.000) 14.340 9.325 ( -0.487 14.668 0.000) 14.676 9.325 ( 0.487 14.668 0.000) 14.676 9.586 ( -0.063 -12.817 0.000) 12.817 9.586 ( 0.063 -12.817 0.000) 12.817 11.007 ( -7.574 14.695 0.000) 16.532 11.007 ( 7.574 14.695 0.000) 16.532 11.264 ( -9.222 -12.020 0.000) 15.151 11.264 ( 9.222 -12.020 0.000) 15.151 11.519 ( -5.688 12.437 0.000) 13.676 11.519 ( 5.688 12.437 0.000) 13.676 11.743 ( -1.530 -10.718 0.000) 10.827 11.743 ( 1.530 -10.718 0.000) 10.827 12.498 ( -1.753 8.128 0.000) 8.315 12.498 ( 1.753 8.128 0.000) 8.315 12.657 ( -1.868 -9.079 0.000) 9.269 12.657 ( 1.868 -9.079 0.000) 9.269 14.299 ( -0.359 18.112 0.000) 18.116 14.299 ( 0.359 18.112 0.000) 18.116 14.654 ( -2.050 -19.471 0.000) 19.578 14.654 ( 2.050 -19.471 0.000) 19.578 19.767 ( -11.305 13.101 0.000) 17.304 19.767 ( 11.305 13.101 0.000) 17.304 19.916 ( -8.283 -2.130 0.000) 8.553 19.916 ( 8.283 -2.130 0.000) 8.553 20.285 ( -7.431 4.512 0.000) 8.693 20.285 ( 7.431 4.512 0.000) 8.693 20.437 ( -13.847 -9.307 0.000) 16.684 20.437 ( 13.847 -9.307 0.000) 16.684 22.389 ( -1.839 14.831 0.000) 14.944 22.389 ( 1.839 14.831 0.000) 14.944 22.691 ( -0.591 -16.824 0.000) 16.834 22.691 ( 0.591 -16.824 0.000) 16.834 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 0.000 35.379) 35.379 0.880 ( 0.000 0.000 43.715) 43.715 1.277 ( 0.000 0.000 63.247) 63.247 4.056 ( 0.000 0.000 3.232) 3.232 4.270 ( 0.000 0.000 -4.323) 4.323 4.294 ( 0.000 0.000 -5.197) 5.197 4.329 ( 0.000 0.000 -14.770) 14.770 4.341 ( 0.000 0.000 5.628) 5.628 4.389 ( 0.000 0.000 8.732) 8.732 4.527 ( 0.000 0.000 3.269) 3.269 4.792 ( 0.000 0.000 -6.204) 6.204 5.481 ( 0.000 0.000 -6.605) 6.605 5.613 ( 0.000 0.000 3.053) 3.053 5.963 ( 0.000 0.000 -5.384) 5.384 6.757 ( 0.000 0.000 -0.401) 0.401 7.119 ( 0.000 0.000 -4.218) 4.218 7.349 ( 0.000 0.000 0.137) 0.137 7.352 ( 0.000 0.000 -2.550) 2.550 7.618 ( 0.000 0.000 -4.213) 4.213 7.638 ( 0.000 0.000 1.677) 1.677 7.782 ( 0.000 0.000 -4.226) 4.226 8.024 ( 0.000 0.000 3.910) 3.910 8.433 ( 0.000 0.000 4.846) 4.846 8.616 ( 0.000 0.000 -10.846) 10.846 8.763 ( 0.000 0.000 13.229) 13.229 8.895 ( 0.000 0.000 -1.740) 1.740 8.896 ( 0.000 0.000 2.858) 2.858 9.063 ( 0.000 0.000 -8.698) 8.698 9.126 ( 0.000 0.000 -2.720) 2.720 9.429 ( 0.000 0.000 2.472) 2.472 9.689 ( 0.000 0.000 4.137) 4.137 9.867 ( 0.000 0.000 -9.513) 9.513 10.527 ( 0.000 0.000 -4.598) 4.598 10.643 ( 0.000 0.000 -6.591) 6.591 10.691 ( 0.000 0.000 -3.332) 3.332 11.296 ( 0.000 0.000 -5.974) 5.974 11.574 ( 0.000 0.000 -9.302) 9.302 12.160 ( 0.000 0.000 7.402) 7.402 12.179 ( 0.000 0.000 -5.792) 5.792 12.181 ( 0.000 0.000 9.087) 9.087 12.255 ( 0.000 0.000 5.857) 5.857 12.294 ( 0.000 0.000 -7.499) 7.499 12.835 ( 0.000 0.000 1.967) 1.967 13.046 ( 0.000 0.000 4.902) 4.902 13.571 ( 0.000 0.000 -0.435) 0.435 13.811 ( 0.000 0.000 -2.579) 2.579 14.427 ( 0.000 0.000 -3.691) 3.691 14.716 ( 0.000 0.000 -4.989) 4.989 18.862 ( 0.000 0.000 -4.138) 4.138 19.222 ( 0.000 0.000 12.390) 12.390 19.471 ( 0.000 0.000 -2.392) 2.392 19.825 ( 0.000 0.000 2.431) 2.431 19.902 ( 0.000 0.000 1.385) 1.385 20.703 ( 0.000 0.000 7.251) 7.251 21.540 ( 0.000 0.000 0.226) 0.226 21.622 ( 0.000 0.000 -5.288) 5.288 22.043 ( 0.000 0.000 0.913) 0.913 22.172 ( 0.000 0.000 7.222) 7.222 22.852 ( 0.000 0.000 -2.313) 2.313 23.553 ( 0.000 0.000 -2.034) 2.034 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 26.216 0.000 24.404) 35.816 1.123 ( 19.936 0.000 33.346) 38.852 1.775 ( 39.889 0.000 42.888) 58.570 3.925 ( -12.158 0.000 1.305) 12.228 4.014 ( -10.758 0.000 -1.888) 10.923 4.273 ( -9.084 0.000 6.816) 11.356 4.278 ( 0.339 0.000 -3.520) 3.536 4.335 ( 2.268 0.000 -2.764) 3.576 4.547 ( 1.756 0.000 2.813) 3.316 4.783 ( 23.119 0.000 -5.069) 23.668 4.836 ( 3.890 0.000 -5.988) 7.141 5.459 ( -1.126 0.000 -7.352) 7.438 5.634 ( 2.074 0.000 2.750) 3.444 5.850 ( -10.280 0.000 -4.688) 11.298 6.821 ( 5.439 0.000 -2.461) 5.969 7.144 ( 2.345 0.000 -4.061) 4.690 7.258 ( -6.647 0.000 -0.321) 6.655 7.285 ( -5.993 0.000 -2.060) 6.337 7.498 ( -11.197 0.000 1.091) 11.250 7.766 ( -1.566 0.000 -3.811) 4.120 7.885 ( 16.692 0.000 -15.470) 22.758 8.056 ( 2.253 0.000 4.013) 4.602 8.417 ( -0.958 0.000 4.651) 4.749 8.478 ( -11.785 0.000 -10.214) 15.595 8.777 ( 0.643 0.000 12.223) 12.240 8.889 ( -6.382 0.000 -0.130) 6.383 8.927 ( 2.065 0.000 -2.355) 3.132 8.962 ( -1.629 0.000 -0.065) 1.630 9.040 ( -6.951 0.000 -0.589) 6.976 9.417 ( -8.673 0.000 8.557) 12.183 9.501 ( 4.995 0.000 -3.040) 5.847 10.074 ( 8.516 0.000 0.261) 8.520 10.509 ( -10.781 0.000 -7.315) 13.028 10.533 ( 0.898 0.000 -3.955) 4.056 10.811 ( 10.401 0.000 -2.484) 10.694 11.190 ( -11.065 0.000 -0.279) 11.068 11.601 ( -14.000 0.000 23.059) 26.977 11.651 ( 5.595 0.000 -8.232) 9.954 12.175 ( -1.444 0.000 -2.808) 3.158 12.186 ( 0.427 0.000 9.028) 9.039 12.250 ( -0.378 0.000 5.826) 5.839 12.359 ( -5.827 0.000 -4.890) 7.607 12.860 ( 2.394 0.000 1.637) 2.900 13.107 ( 5.567 0.000 2.923) 6.287 13.547 ( -2.204 0.000 -0.491) 2.258 13.890 ( -1.590 0.000 -3.332) 3.692 14.503 ( 9.302 0.000 -7.783) 12.128 15.239 ( 24.704 0.000 -38.169) 45.466 18.860 ( -0.062 0.000 -3.433) 3.433 19.160 ( -4.111 0.000 10.321) 11.109 19.610 ( 11.131 0.000 -1.096) 11.185 19.809 ( -1.222 0.000 2.313) 2.616 19.922 ( 1.356 0.000 1.262) 1.852 20.677 ( -2.755 0.000 7.744) 8.219 20.959 ( -44.215 0.000 41.562) 60.682 21.550 ( -6.738 0.000 -5.143) 8.477 21.642 ( 2.677 0.000 6.786) 7.295 22.108 ( -0.338 0.000 3.896) 3.911 23.014 ( 3.891 0.000 -3.464) 5.210 23.705 ( 2.539 0.000 -5.091) 5.689 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 24.631 0.000 21.352) 32.597 1.677 ( 30.897 0.000 16.523) 35.038 2.722 ( 45.905 0.000 23.045) 51.365 3.600 ( -18.436 0.000 2.742) 18.639 3.854 ( -3.492 0.000 -0.938) 3.616 3.982 ( -17.064 0.000 9.640) 19.599 4.270 ( -1.691 0.000 -2.892) 3.350 4.426 ( 5.266 0.000 -4.187) 6.728 4.591 ( 2.295 0.000 1.501) 2.742 4.947 ( 6.260 0.000 -5.743) 8.496 5.298 ( 24.866 0.000 -5.368) 25.439 5.423 ( -3.743 0.000 -8.238) 9.048 5.560 ( -15.295 0.000 -2.575) 15.510 5.712 ( 5.565 0.000 1.873) 5.872 6.937 ( 2.988 0.000 -7.112) 7.714 7.077 ( -9.918 0.000 -0.045) 9.918 7.130 ( -6.504 0.000 -1.685) 6.718 7.219 ( 4.635 0.000 -3.974) 6.105 7.230 ( -13.204 0.000 0.064) 13.205 7.706 ( -4.727 0.000 -3.906) 6.131 8.109 ( 2.869 0.000 4.124) 5.024 8.171 ( -15.220 0.000 -8.316) 17.344 8.191 ( 11.740 0.000 -14.576) 18.716 8.405 ( -0.316 0.000 4.197) 4.209 8.612 ( -13.224 0.000 4.019) 13.822 8.851 ( 2.627 0.000 9.175) 9.544 8.864 ( -6.097 0.000 3.199) 6.885 8.982 ( 0.972 0.000 3.665) 3.792 9.011 ( 2.920 0.000 -7.287) 7.850 9.328 ( -2.259 0.000 4.807) 5.311 9.610 ( 5.229 0.000 -7.327) 9.002 10.232 ( 7.040 0.000 6.249) 9.413 10.259 ( -11.676 0.000 -8.316) 14.335 10.585 ( 4.606 0.000 -2.241) 5.123 10.932 ( -11.312 0.000 5.234) 12.464 11.081 ( 13.940 0.000 -1.498) 14.020 11.469 ( -4.344 0.000 7.055) 8.285 11.746 ( 2.367 0.000 -6.007) 6.457 12.106 ( -5.249 0.000 -2.882) 5.988 12.196 ( 0.442 0.000 8.652) 8.664 12.217 ( -5.264 0.000 3.898) 6.550 12.241 ( -0.474 0.000 5.788) 5.807 12.939 ( 5.066 0.000 0.796) 5.128 13.248 ( 7.225 0.000 0.974) 7.290 13.478 ( -4.335 0.000 -0.612) 4.378 13.805 ( -5.164 0.000 -0.408) 5.180 14.749 ( 12.822 0.000 -10.647) 16.666 15.509 ( 3.192 0.000 -32.155) 32.313 18.865 ( 0.704 0.000 -1.499) 1.656 19.077 ( -3.627 0.000 8.604) 9.337 19.783 ( -0.939 0.000 2.386) 2.565 19.900 ( 15.733 0.000 -1.541) 15.808 19.930 ( -1.343 0.000 4.748) 4.934 20.405 ( -10.256 0.000 22.209) 24.463 20.627 ( -3.789 0.000 5.463) 6.648 21.343 ( -12.499 0.000 -4.734) 13.365 21.750 ( 6.331 0.000 4.686) 7.877 22.098 ( -0.748 0.000 3.723) 3.798 23.085 ( 3.590 0.000 -1.375) 3.845 23.649 ( -6.061 0.000 -0.049) 6.061 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 24.555 0.000 13.981) 28.256 2.333 ( 30.485 0.000 13.231) 33.233 3.157 ( -22.736 0.000 5.774) 23.458 3.437 ( -7.486 0.000 12.041) 14.179 3.769 ( 24.760 0.000 10.203) 26.780 3.875 ( 5.013 0.000 -1.124) 5.137 4.189 ( -6.044 0.000 -2.223) 6.440 4.528 ( 3.340 0.000 -3.359) 4.737 4.640 ( 2.193 0.000 0.042) 2.194 5.056 ( -5.609 0.000 -5.391) 7.780 5.157 ( -8.105 0.000 -2.000) 8.348 5.385 ( -4.926 0.000 -5.346) 7.270 5.792 ( 19.576 0.000 -4.675) 20.127 5.868 ( 8.534 0.000 0.571) 8.553 6.860 ( -5.321 0.000 -4.432) 6.925 6.880 ( -7.298 0.000 -0.023) 7.298 6.965 ( -10.875 0.000 0.849) 10.908 7.095 ( -1.570 0.000 -5.341) 5.567 7.316 ( 3.509 0.000 -8.520) 9.215 7.514 ( -12.304 0.000 -12.415) 17.479 7.971 ( -1.217 0.000 2.736) 2.995 8.183 ( 4.065 0.000 4.043) 5.733 8.327 ( -13.079 0.000 6.358) 14.543 8.336 ( -0.449 0.000 0.029) 0.450 8.447 ( 6.829 0.000 -4.901) 8.406 8.740 ( -5.866 0.000 -0.026) 5.866 8.912 ( 2.816 0.000 8.313) 8.778 8.988 ( -0.468 0.000 5.342) 5.362 9.085 ( 4.014 0.000 -6.588) 7.714 9.269 ( -3.647 0.000 -0.125) 3.650 9.727 ( 5.894 0.000 -8.981) 10.742 10.036 ( -9.203 0.000 -9.059) 12.913 10.383 ( 7.271 0.000 6.981) 10.080 10.716 ( -7.302 0.000 2.850) 7.838 10.750 ( 9.024 0.000 1.290) 9.116 11.306 ( -11.464 0.000 -0.364) 11.470 11.369 ( 12.601 0.000 -1.281) 12.666 11.734 ( -3.560 0.000 -3.591) 5.057 12.026 ( -0.878 0.000 4.251) 4.341 12.131 ( -3.627 0.000 5.639) 6.705 12.205 ( 0.471 0.000 7.703) 7.717 12.230 ( -0.559 0.000 6.054) 6.080 13.069 ( 6.950 0.000 -0.064) 6.950 13.366 ( -6.145 0.000 -0.682) 6.183 13.403 ( 7.260 0.000 0.164) 7.262 13.686 ( -5.950 0.000 0.076) 5.950 15.025 ( 12.797 0.000 -13.711) 18.755 15.463 ( -6.224 0.000 -23.312) 24.129 18.892 ( 1.826 0.000 1.115) 2.139 19.004 ( -3.211 0.000 6.481) 7.233 19.777 ( 0.436 0.000 3.216) 3.245 19.869 ( -3.538 0.000 7.568) 8.355 20.264 ( 18.140 0.000 -2.472) 18.308 20.350 ( 2.344 0.000 5.261) 5.760 20.537 ( -4.642 0.000 3.275) 5.681 21.031 ( -16.536 0.000 -4.120) 17.041 21.887 ( 6.181 0.000 4.402) 7.588 22.069 ( -2.157 0.000 3.966) 4.515 23.180 ( 5.494 0.000 -0.249) 5.500 23.491 ( -8.232 0.000 1.175) 8.315 ======================= Grid point 67 (25/120) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -24.194 0.000 9.218) 25.890 2.655 ( 24.194 0.000 9.218) 25.890 2.954 ( -27.513 0.000 11.940) 29.992 2.954 ( 27.513 0.000 11.940) 29.992 4.028 ( -8.327 0.000 -1.529) 8.466 4.028 ( 8.327 0.000 -1.529) 8.466 4.420 ( -21.887 0.000 1.854) 21.965 4.420 ( 21.887 0.000 1.854) 21.965 4.711 ( -8.167 0.000 -0.344) 8.174 4.711 ( 8.167 0.000 -0.344) 8.174 5.261 ( -6.624 0.000 -5.101) 8.361 5.261 ( 6.624 0.000 -5.101) 8.361 6.002 ( -1.313 0.000 -1.610) 2.078 6.002 ( 1.313 0.000 -1.610) 2.078 6.817 ( -2.096 0.000 0.652) 2.195 6.817 ( 2.096 0.000 0.652) 2.195 6.915 ( -11.062 0.000 -4.669) 12.007 6.915 ( 11.062 0.000 -4.669) 12.007 7.364 ( -2.324 0.000 -14.457) 14.642 7.364 ( 2.324 0.000 -14.457) 14.642 8.079 ( -9.581 0.000 7.644) 12.257 8.079 ( 9.581 0.000 7.644) 12.257 8.273 ( -4.136 0.000 3.811) 5.624 8.273 ( 4.136 0.000 3.811) 5.624 8.605 ( -7.007 0.000 -3.741) 7.943 8.605 ( 7.007 0.000 -3.741) 7.943 8.963 ( -1.862 0.000 6.891) 7.139 8.963 ( 1.862 0.000 6.891) 7.139 9.178 ( -4.582 0.000 -4.053) 6.117 9.178 ( 4.582 0.000 -4.053) 6.117 9.864 ( -7.126 0.000 -9.356) 11.761 9.864 ( 7.126 0.000 -9.356) 11.761 10.543 ( -7.775 0.000 5.834) 9.721 10.543 ( 7.775 0.000 5.834) 9.721 11.020 ( -14.215 0.000 -1.204) 14.266 11.020 ( 14.215 0.000 -1.204) 14.266 11.600 ( -8.846 0.000 -1.928) 9.054 11.600 ( 8.846 0.000 -1.928) 9.054 12.057 ( -3.016 0.000 6.371) 7.049 12.057 ( 3.016 0.000 6.371) 7.049 12.217 ( -0.651 0.000 6.707) 6.739 12.217 ( 0.651 0.000 6.707) 6.739 13.222 ( -7.203 0.000 -0.550) 7.224 13.222 ( 7.203 0.000 -0.550) 7.224 13.552 ( -6.706 0.000 0.032) 6.707 13.552 ( 6.706 0.000 0.032) 6.707 15.278 ( -10.720 0.000 -17.680) 20.676 15.278 ( 10.720 0.000 -17.680) 20.676 18.941 ( -2.700 0.000 3.893) 4.738 18.941 ( 2.700 0.000 3.893) 4.738 19.805 ( -2.242 0.000 5.206) 5.668 19.805 ( 2.242 0.000 5.206) 5.668 20.434 ( -4.843 0.000 2.013) 5.245 20.434 ( 4.843 0.000 2.013) 5.245 20.656 ( -18.446 0.000 -3.355) 18.749 20.656 ( 18.446 0.000 -3.355) 18.749 22.000 ( -4.350 0.000 4.227) 6.066 22.000 ( 4.350 0.000 4.227) 6.066 23.320 ( -7.533 0.000 0.731) 7.569 23.320 ( 7.533 0.000 0.731) 7.569 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 0.000 15.391 26.307) 30.479 0.930 ( 0.000 20.521 26.800) 33.754 1.859 ( 0.000 41.467 49.511) 64.582 3.946 ( 0.000 -25.984 2.453) 26.099 4.012 ( 0.000 -9.555 -2.046) 9.771 4.178 ( 0.000 -10.076 -13.680) 16.990 4.265 ( 0.000 0.307 -4.679) 4.689 4.351 ( 0.000 5.112 -4.445) 6.774 4.442 ( 0.000 4.969 6.410) 8.110 4.711 ( 0.000 -6.459 3.877) 7.533 5.085 ( 0.000 34.506 -1.163) 34.526 5.396 ( 0.000 -8.078 -6.351) 10.276 5.519 ( 0.000 -10.826 -1.608) 10.944 6.168 ( 0.000 20.399 -2.855) 20.598 6.837 ( 0.000 8.468 -1.061) 8.534 7.209 ( 0.000 8.438 -6.616) 10.723 7.359 ( 0.000 1.095 -0.068) 1.097 7.522 ( 0.000 9.002 -5.801) 10.709 7.581 ( 0.000 -5.312 -2.825) 6.016 7.637 ( 0.000 2.068 -3.988) 4.493 7.857 ( 0.000 -14.401 6.186) 15.674 7.866 ( 0.000 7.591 -6.718) 10.136 8.236 ( 0.000 -10.547 -0.412) 10.555 8.691 ( 0.000 -19.656 5.492) 20.408 8.757 ( 0.000 -1.669 9.420) 9.567 8.769 ( 0.000 -10.784 1.319) 10.864 8.923 ( 0.000 21.779 -5.819) 22.543 9.038 ( 0.000 -2.456 5.372) 5.907 9.085 ( 0.000 -5.470 -0.489) 5.492 9.460 ( 0.000 4.648 2.595) 5.323 9.747 ( 0.000 6.052 2.763) 6.653 9.803 ( 0.000 -2.972 -12.707) 13.050 10.461 ( 0.000 -5.290 -9.428) 10.811 10.677 ( 0.000 3.537 -6.079) 7.033 10.695 ( 0.000 -2.283 -3.465) 4.149 11.303 ( 0.000 -0.298 -3.593) 3.605 11.506 ( 0.000 -5.494 -8.670) 10.264 11.810 ( 0.000 -9.138 14.597) 17.221 12.050 ( 0.000 -6.759 -3.040) 7.411 12.153 ( 0.000 -4.982 0.779) 5.042 12.350 ( 0.000 0.436 8.762) 8.773 12.451 ( 0.000 10.463 -4.600) 11.430 12.836 ( 0.000 1.077 3.909) 4.055 13.049 ( 0.000 1.649 4.500) 4.792 13.776 ( 0.000 10.430 -11.593) 15.594 13.806 ( 0.000 -0.454 -2.307) 2.351 14.405 ( 0.000 -2.236 -3.618) 4.253 14.625 ( 0.000 -7.796 -0.011) 7.796 19.089 ( 0.000 6.279 -2.180) 6.647 19.451 ( 0.000 -2.094 -1.902) 2.829 19.514 ( 0.000 25.148 -12.924) 28.275 19.867 ( 0.000 4.468 2.553) 5.146 19.924 ( 0.000 2.063 1.547) 2.578 20.656 ( 0.000 -4.908 6.836) 8.416 21.540 ( 0.000 0.007 0.074) 0.075 21.606 ( 0.000 -1.487 -4.397) 4.642 22.074 ( 0.000 3.273 -0.134) 3.276 22.229 ( 0.000 5.826 7.105) 9.188 22.772 ( 0.000 -7.495 -1.068) 7.571 23.276 ( 0.000 -17.750 12.410) 21.658 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.12 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 21.996 14.566 15.486) 30.591 1.352 ( 28.878 15.674 19.648) 38.284 2.129 ( 25.169 31.367 42.047) 58.183 3.796 ( -7.138 -16.888 -1.942) 18.437 3.950 ( -8.270 -1.205 2.618) 8.758 4.279 ( 0.697 -0.402 -4.219) 4.295 4.302 ( 3.836 -10.711 -5.622) 12.691 4.352 ( -6.384 4.278 3.792) 8.570 4.381 ( 5.149 -2.807 -5.130) 7.791 4.719 ( 0.787 -5.599 3.533) 6.667 5.150 ( 7.626 25.645 0.274) 26.756 5.379 ( -1.390 -8.059 -7.248) 10.927 5.483 ( -3.581 -12.361 -1.765) 12.990 6.124 ( -3.491 23.220 -2.150) 23.579 6.897 ( 5.194 8.018 -2.668) 9.919 7.193 ( -5.032 0.680 -5.222) 7.283 7.271 ( -2.288 5.838 -0.959) 6.343 7.398 ( -5.874 5.925 -2.740) 8.782 7.512 ( -9.782 2.910 -0.141) 10.207 7.789 ( 1.834 0.883 -6.219) 6.544 7.852 ( 7.717 -10.493 -0.857) 13.054 7.937 ( 4.009 -1.361 -5.384) 6.849 8.215 ( -2.005 -9.654 -1.691) 10.004 8.585 ( -7.761 -7.796 0.896) 11.037 8.751 ( -1.081 -8.693 4.155) 9.695 8.793 ( 1.409 -6.032 6.290) 8.828 8.932 ( -0.535 12.136 -4.013) 12.793 8.988 ( -2.593 -1.790 1.020) 3.312 9.095 ( -3.286 5.150 1.692) 6.339 9.236 ( -7.339 -6.057 7.295) 11.991 9.713 ( -0.983 10.385 -5.733) 11.903 10.047 ( 11.254 -1.068 -4.820) 12.290 10.413 ( -7.686 -5.589 -5.459) 10.959 10.623 ( 1.389 2.101 -5.548) 6.093 10.766 ( 5.981 -1.887 -0.624) 6.303 11.199 ( -9.326 1.620 1.759) 9.627 11.567 ( 2.809 -2.915 -4.093) 5.757 11.677 ( -3.514 2.529 7.373) 8.550 12.056 ( -0.957 -7.745 -2.007) 8.058 12.147 ( -0.575 -5.199 1.621) 5.476 12.291 ( -1.788 3.485 4.822) 6.213 12.489 ( -2.515 9.270 0.242) 9.608 12.843 ( 1.362 -1.788 3.242) 3.945 13.046 ( 1.961 -2.283 4.868) 5.724 13.651 ( -3.020 7.314 -2.096) 8.186 13.913 ( -0.371 2.543 -4.335) 5.040 14.475 ( 8.254 -2.958 -7.167) 11.325 14.966 ( 20.637 -20.311 -17.085) 33.620 19.049 ( -2.640 6.826 -1.295) 7.433 19.460 ( -4.210 26.677 -12.177) 29.626 19.574 ( 9.636 -3.446 -0.425) 10.242 19.851 ( -1.212 4.390 2.423) 5.159 19.951 ( 2.102 2.649 0.737) 3.461 20.637 ( -1.784 -4.514 6.510) 8.120 21.075 ( -42.450 10.603 28.020) 51.957 21.514 ( -5.756 -2.373 -2.915) 6.874 21.747 ( -1.364 9.966 5.366) 11.400 22.154 ( -0.509 4.910 4.118) 6.428 22.956 ( 4.322 -6.118 -3.674) 8.342 23.475 ( 7.717 -19.688 2.010) 21.241 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.25 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 26.952 9.398 8.982) 29.923 1.949 ( 26.916 18.597 16.884) 36.815 2.837 ( 37.372 10.861 23.457) 45.440 3.636 ( -15.376 3.134 0.416) 15.698 3.770 ( 0.277 -5.290 2.208) 5.739 4.069 ( -15.566 7.522 8.611) 19.314 4.275 ( -1.993 0.573 -2.386) 3.161 4.424 ( 5.495 -2.397 -4.562) 7.534 4.535 ( 6.687 -9.383 -5.030) 12.572 4.760 ( 3.667 -9.181 1.114) 9.949 5.306 ( -8.058 -12.218 -5.545) 15.651 5.334 ( -0.680 -8.306 -2.773) 8.783 5.468 ( 13.606 8.768 -1.908) 16.298 6.065 ( -1.089 25.360 -0.781) 25.395 6.967 ( -6.886 -2.310 -2.976) 7.849 7.051 ( 1.374 5.029 -5.154) 7.331 7.233 ( -9.857 3.591 -0.018) 10.491 7.276 ( -8.511 8.279 -1.226) 11.936 7.323 ( 2.558 9.884 -5.020) 11.377 7.761 ( -2.914 4.153 -3.302) 6.053 7.908 ( -4.731 -12.371 -0.751) 13.266 7.995 ( -2.014 -10.973 -2.674) 11.473 8.227 ( 6.525 -3.719 -7.775) 10.810 8.448 ( -3.865 -0.764 -0.702) 4.002 8.666 ( -8.156 -2.070 -0.604) 8.436 8.781 ( -3.042 -7.118 3.535) 8.510 8.896 ( -0.418 7.287 5.205) 8.965 8.951 ( 0.860 -3.757 -1.028) 3.989 9.037 ( -0.450 7.365 4.093) 8.437 9.203 ( -0.567 -11.421 5.191) 12.559 9.710 ( 0.926 6.392 -9.429) 11.429 10.157 ( -7.130 -4.279 -5.161) 9.787 10.272 ( 4.172 0.243 1.171) 4.340 10.694 ( 4.695 8.828 -2.816) 10.388 10.979 ( -7.052 3.959 2.611) 8.498 10.991 ( 10.365 -5.647 3.965) 12.452 11.543 ( -3.574 5.652 0.671) 6.720 11.711 ( 2.064 -3.543 -5.022) 6.484 12.009 ( -2.774 -6.296 -0.593) 6.906 12.125 ( -1.589 -5.422 2.920) 6.360 12.271 ( -0.359 3.220 4.488) 5.535 12.385 ( -5.074 11.081 6.072) 13.616 12.901 ( 3.844 -4.267 2.477) 6.254 13.112 ( 3.038 -8.620 2.908) 9.591 13.617 ( -0.470 10.260 -1.631) 10.399 13.857 ( -3.691 5.357 -1.422) 6.659 14.698 ( 11.701 -5.220 -9.962) 16.230 15.264 ( 6.998 -21.313 -22.220) 31.574 19.010 ( -0.696 8.470 -0.047) 8.499 19.336 ( -6.804 25.543 -4.790) 26.864 19.813 ( 6.589 -2.575 1.963) 7.341 19.833 ( 3.742 1.864 0.196) 4.186 20.001 ( 3.273 3.985 1.401) 5.343 20.462 ( -14.492 6.685 23.286) 28.231 20.585 ( -3.219 -4.245 5.312) 7.523 21.318 ( -12.358 -2.549 -4.164) 13.288 21.815 ( 5.427 6.863 4.115) 9.669 22.142 ( -0.792 4.721 3.761) 6.088 23.027 ( 3.334 -6.084 -1.392) 7.076 23.502 ( -3.493 -14.524 1.520) 15.016 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.38 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 25.541 7.126 6.542) 27.311 2.512 ( 26.032 15.415 14.629) 33.605 3.221 ( -21.594 6.801 3.396) 22.893 3.439 ( 4.413 -2.118 9.030) 10.272 3.767 ( -1.322 3.679 7.421) 8.387 3.985 ( 19.235 9.328 4.780) 21.906 4.183 ( -6.533 -0.576 -1.460) 6.719 4.531 ( 3.658 -0.393 -3.501) 5.078 4.635 ( 2.967 -1.980 -2.201) 4.191 4.869 ( 3.923 -14.717 -2.194) 15.388 5.064 ( -11.395 -8.326 -1.217) 14.165 5.246 ( -5.878 -12.850 -4.107) 14.715 5.851 ( 17.558 4.824 -2.674) 18.404 6.084 ( 2.194 18.644 -0.198) 18.773 6.805 ( -3.931 -3.832 -1.749) 5.762 6.991 ( -8.786 5.379 -0.324) 10.307 7.016 ( -7.607 9.277 -2.935) 12.350 7.184 ( -3.112 9.133 -4.108) 10.487 7.407 ( 3.224 8.675 -9.540) 13.291 7.553 ( -13.423 2.032 -12.689) 18.583 7.825 ( 1.370 -9.223 3.863) 10.092 7.981 ( -1.061 -11.591 6.154) 13.166 8.356 ( 1.511 -6.235 -0.139) 6.417 8.438 ( 4.828 2.735 -6.288) 8.386 8.469 ( -8.217 2.635 0.509) 8.644 8.697 ( -4.813 -3.467 0.545) 5.957 8.926 ( 2.510 1.303 5.726) 6.386 8.999 ( 2.254 -2.989 0.555) 3.785 9.030 ( 0.079 1.977 3.961) 4.427 9.163 ( -3.070 -10.803 1.046) 11.279 9.754 ( 3.198 1.543 -9.565) 10.203 9.975 ( -7.612 -4.917 -6.902) 11.391 10.422 ( 7.838 3.845 4.789) 9.958 10.766 ( -6.950 4.346 4.227) 9.223 10.856 ( 7.467 11.314 -1.406) 13.629 11.235 ( 4.942 -4.386 2.551) 7.083 11.435 ( -2.659 3.791 -4.481) 6.443 11.697 ( -3.596 -4.078 -3.467) 6.449 11.980 ( 0.533 -3.612 3.599) 5.127 12.079 ( -2.637 -4.631 4.036) 6.685 12.270 ( 0.147 3.975 5.388) 6.697 12.308 ( -2.274 8.357 7.239) 11.288 12.997 ( 4.850 -6.986 1.947) 8.724 13.143 ( -0.524 -11.948 2.107) 12.143 13.632 ( 1.905 13.209 -1.836) 13.471 13.775 ( -3.956 8.570 -1.171) 9.511 14.947 ( 11.365 -7.883 -12.637) 18.735 15.296 ( -3.114 -16.006 -19.293) 25.261 19.023 ( 1.873 10.757 1.076) 10.972 19.196 ( -6.034 19.737 0.405) 20.642 19.816 ( 0.291 3.884 3.619) 5.317 19.891 ( -2.250 2.205 6.332) 7.072 20.219 ( 14.240 -3.794 -1.681) 14.833 20.361 ( 2.734 0.821 5.622) 6.305 20.509 ( -3.577 -2.892 3.746) 5.932 21.008 ( -16.390 -2.544 -3.706) 16.995 21.939 ( 5.767 5.584 4.074) 9.002 22.113 ( -2.137 4.704 3.890) 6.468 23.113 ( 4.899 -6.995 -0.148) 8.542 23.383 ( -6.832 -11.037 1.726) 13.095 ======================= Grid point 76 (30/120) ======================= q-point: (-0.50 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -22.076 5.558 5.112) 23.332 2.698 ( 22.076 5.558 5.112) 23.332 3.089 ( -22.450 12.582 12.439) 28.584 3.089 ( 22.450 12.582 12.439) 28.584 3.974 ( -11.255 -5.104 -1.521) 12.452 3.974 ( 11.255 -5.104 -1.521) 12.452 4.470 ( -15.808 4.449 1.592) 16.499 4.470 ( 15.808 4.449 1.592) 16.499 4.704 ( -6.990 -0.792 -0.360) 7.044 4.704 ( 6.990 -0.792 -0.360) 7.044 5.098 ( -7.593 -14.825 -3.126) 16.948 5.098 ( 7.593 -14.825 -3.126) 16.948 6.089 ( -4.013 7.250 -1.114) 8.361 6.089 ( 4.013 7.250 -1.114) 8.361 6.858 ( -5.016 3.551 -0.790) 6.196 6.858 ( 5.016 3.551 -0.790) 6.196 6.975 ( -8.994 6.693 -3.417) 11.721 6.975 ( 8.994 6.693 -3.417) 11.721 7.436 ( -0.713 6.707 -14.202) 15.722 7.436 ( 0.713 6.707 -14.202) 15.722 7.911 ( -5.137 -9.753 7.146) 13.137 7.911 ( 5.137 -9.753 7.146) 13.137 8.364 ( -1.686 0.271 1.395) 2.205 8.364 ( 1.686 0.271 1.395) 2.205 8.577 ( -6.474 -1.561 -3.560) 7.552 8.577 ( 6.474 -1.561 -3.560) 7.552 8.982 ( -2.342 2.138 6.202) 6.965 8.982 ( 2.342 2.138 6.202) 6.965 9.087 ( -3.716 -8.428 -1.141) 9.281 9.087 ( 3.716 -8.428 -1.141) 9.281 9.842 ( -5.091 -2.237 -8.321) 10.008 9.842 ( 5.091 -2.237 -8.321) 10.008 10.593 ( -8.201 5.173 4.903) 10.865 10.593 ( 8.201 5.173 4.903) 10.865 11.084 ( -11.884 6.810 -1.465) 13.775 11.084 ( 11.884 6.810 -1.465) 13.775 11.565 ( -8.378 -4.038 -1.906) 9.494 11.565 ( 8.378 -4.038 -1.906) 9.494 12.020 ( -2.723 -3.438 4.743) 6.460 12.020 ( 2.723 -3.438 4.743) 6.460 12.278 ( -0.757 5.642 6.352) 8.530 12.278 ( 0.757 5.642 6.352) 8.530 13.093 ( -3.828 -10.369 1.812) 11.200 13.093 ( 3.828 -10.369 1.812) 11.200 13.693 ( -3.588 11.864 -1.571) 12.494 13.693 ( 3.588 11.864 -1.571) 12.494 15.164 ( -8.665 -11.338 -15.775) 21.272 15.164 ( 8.665 -11.338 -15.775) 21.272 19.087 ( -4.125 14.299 1.654) 14.974 19.087 ( 4.125 14.299 1.654) 14.974 19.839 ( -1.948 3.500 5.222) 6.581 19.839 ( 1.948 3.500 5.222) 6.581 20.394 ( -4.332 -3.921 1.395) 6.007 20.394 ( 4.332 -3.921 1.395) 6.007 20.645 ( -16.888 -1.448 -2.154) 17.086 20.645 ( 16.888 -1.448 -2.154) 17.086 22.046 ( -4.178 4.933 4.032) 7.619 22.046 ( 4.178 4.933 4.032) 7.619 23.236 ( -6.586 -8.642 0.981) 10.910 23.236 ( 6.586 -8.642 0.981) 10.910 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.000 36.794 -4.873) 37.116 1.391 ( 0.000 27.208 17.113) 32.143 2.572 ( 0.000 28.009 35.774) 45.434 3.494 ( 0.000 -16.182 9.917) 18.979 3.581 ( 0.000 -30.745 -15.425) 34.398 4.121 ( 0.000 -0.829 -2.481) 2.616 4.281 ( 0.000 1.252 -4.233) 4.414 4.482 ( 0.000 8.761 -4.102) 9.674 4.551 ( 0.000 -0.645 3.857) 3.910 4.583 ( 0.000 -0.486 12.096) 12.106 5.205 ( 0.000 -11.769 -5.211) 12.871 5.254 ( 0.000 -16.008 -2.086) 16.144 5.681 ( 0.000 29.539 -0.144) 29.539 6.618 ( 0.000 25.084 -3.164) 25.283 7.063 ( 0.000 13.222 -2.068) 13.383 7.264 ( 0.000 -16.589 -0.080) 16.589 7.378 ( 0.000 0.297 -1.753) 1.778 7.438 ( 0.000 6.435 -6.898) 9.434 7.556 ( 0.000 -1.027 4.748) 4.857 7.681 ( 0.000 -3.682 3.124) 4.829 7.750 ( 0.000 5.055 -13.301) 14.229 8.012 ( 0.000 6.135 -10.265) 11.958 8.104 ( 0.000 -3.532 -1.767) 3.949 8.318 ( 0.000 -16.597 7.000) 18.012 8.559 ( 0.000 -11.799 2.038) 11.974 8.676 ( 0.000 -5.843 8.551) 10.357 8.884 ( 0.000 -12.897 12.649) 18.065 8.905 ( 0.000 -12.695 3.421) 13.148 9.364 ( 0.000 23.801 -7.790) 25.043 9.617 ( 0.000 11.269 4.427) 12.108 9.804 ( 0.000 1.913 -12.572) 12.717 9.894 ( 0.000 8.849 -2.787) 9.278 10.342 ( 0.000 -7.344 -15.674) 17.309 10.576 ( 0.000 -10.315 -1.850) 10.480 10.771 ( 0.000 6.469 -5.202) 8.301 11.278 ( 0.000 -4.926 -4.510) 6.678 11.430 ( 0.000 0.824 -2.531) 2.662 11.795 ( 0.000 3.270 7.603) 8.276 11.942 ( 0.000 -5.224 -4.882) 7.151 12.017 ( 0.000 -8.944 1.516) 9.072 12.351 ( 0.000 0.857 1.155) 1.438 12.559 ( 0.000 -0.084 -7.662) 7.662 12.934 ( 0.000 9.323 7.774) 12.139 13.096 ( 0.000 2.828 5.969) 6.605 13.807 ( 0.000 1.150 -2.197) 2.480 13.916 ( 0.000 5.318 -10.856) 12.088 14.348 ( 0.000 -3.664 -3.111) 4.806 14.451 ( 0.000 -10.332 2.617) 10.659 19.171 ( 0.000 4.002 2.266) 4.599 19.398 ( 0.000 -3.359 -0.761) 3.444 19.843 ( 0.000 10.525 -8.729) 13.674 19.966 ( 0.000 2.091 1.865) 2.801 19.985 ( 0.000 7.931 3.043) 8.495 20.528 ( 0.000 -8.497 5.908) 10.349 21.540 ( 0.000 0.085 -0.395) 0.404 21.577 ( 0.000 -1.435 -2.971) 3.300 22.163 ( 0.000 6.088 -2.365) 6.531 22.375 ( 0.000 9.343 7.214) 11.805 22.615 ( 0.000 -8.670 -2.495) 9.022 23.007 ( 0.000 -12.305 10.399) 16.111 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.12 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 14.817 30.359 -2.143) 33.850 1.709 ( 25.352 22.908 10.526) 35.753 2.689 ( 10.543 19.734 30.245) 37.621 3.499 ( 4.311 -8.771 4.113) 10.603 3.708 ( 7.765 -25.599 -4.507) 27.128 4.105 ( -2.100 -0.482 -5.148) 5.580 4.293 ( 0.118 0.435 -4.020) 4.045 4.452 ( -0.943 6.662 -3.206) 7.453 4.493 ( -6.141 8.610 3.765) 11.226 4.595 ( 1.960 -7.834 11.848) 14.338 5.171 ( -3.541 -13.671 -4.711) 14.887 5.207 ( -3.985 -14.656 -1.791) 15.293 5.655 ( -0.884 26.051 0.853) 26.080 6.603 ( -1.512 25.752 -2.768) 25.945 7.035 ( -8.132 -9.461 -1.167) 12.531 7.151 ( 0.711 9.438 0.357) 9.471 7.408 ( -2.528 -2.129 -1.651) 3.694 7.451 ( 1.665 10.519 -9.025) 13.960 7.602 ( -0.402 1.889 2.723) 3.338 7.645 ( 0.045 -3.182 2.931) 4.326 7.785 ( 3.074 -1.214 -12.393) 12.826 8.019 ( -0.675 5.054 -7.901) 9.403 8.090 ( -0.475 -3.351 -3.049) 4.555 8.303 ( -1.299 -15.436 4.713) 16.191 8.559 ( -0.058 -12.200 0.974) 12.239 8.662 ( -1.668 -6.835 6.262) 9.419 8.846 ( -2.396 -10.244 6.361) 12.294 8.925 ( 0.751 -15.596 7.177) 17.185 9.318 ( -4.518 22.584 -5.457) 23.670 9.389 ( -10.576 13.390 0.334) 17.066 9.829 ( -2.559 1.903 -0.334) 3.207 10.097 ( 13.360 6.442 -14.442) 20.702 10.289 ( -8.740 -8.134 -4.027) 12.601 10.538 ( 4.970 -8.192 -4.543) 10.605 10.834 ( 3.992 7.029 -3.030) 8.632 11.268 ( -3.401 4.145 1.252) 5.506 11.465 ( 4.347 -5.583 -6.881) 9.869 11.761 ( -2.444 5.015 4.392) 7.100 11.931 ( -1.166 -6.054 -3.521) 7.100 12.010 ( -0.668 -8.747 1.962) 8.989 12.340 ( -0.581 2.444 0.029) 2.512 12.597 ( 2.233 -0.487 -4.012) 4.617 12.862 ( -5.785 6.025 7.421) 11.173 13.053 ( -2.577 1.719 7.583) 8.191 13.777 ( 0.389 6.780 -2.591) 7.269 13.986 ( 2.049 4.961 -6.486) 8.419 14.396 ( 5.919 -5.308 -5.638) 9.746 14.618 ( 12.047 -16.666 -4.229) 20.995 19.158 ( -0.423 5.879 1.787) 6.159 19.491 ( 7.713 -5.065 -0.087) 9.228 19.821 ( -1.799 11.688 -9.298) 15.043 19.961 ( -0.747 6.256 1.626) 6.507 20.005 ( 1.966 3.588 1.605) 4.395 20.513 ( -1.374 -8.319 5.782) 10.223 21.260 ( -27.979 7.735 7.503) 29.983 21.472 ( -7.384 -2.226 -2.228) 8.028 21.990 ( -4.588 14.910 2.542) 15.806 22.290 ( -1.191 9.549 4.823) 10.764 22.792 ( 5.229 -11.064 -3.820) 12.820 23.108 ( 6.196 -18.158 7.094) 20.456 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.25 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 21.409 22.690 -2.145) 31.270 2.298 ( 27.543 18.633 9.044) 34.462 2.983 ( 16.138 -0.079 14.964) 22.008 3.676 ( 0.765 -0.908 -0.542) 1.306 3.789 ( 7.277 8.192 8.804) 14.056 4.108 ( 4.621 -14.222 -5.629) 15.978 4.237 ( -5.456 2.084 -2.136) 6.219 4.320 ( -7.966 6.953 4.953) 11.676 4.495 ( 3.936 2.666 -3.203) 5.733 4.660 ( 3.630 -5.980 6.417) 9.493 5.049 ( -7.103 -14.108 -2.066) 15.929 5.107 ( -5.662 -14.221 -1.832) 15.416 5.713 ( 7.282 15.654 1.411) 17.322 6.552 ( -3.366 23.897 -1.841) 24.202 6.812 ( -9.870 -12.195 1.773) 15.789 7.237 ( 1.083 8.714 -1.144) 8.855 7.306 ( -2.811 8.364 -4.344) 9.835 7.465 ( -4.150 9.634 -4.881) 11.570 7.527 ( 0.120 10.246 -5.267) 11.521 7.680 ( -0.145 -4.589 0.345) 4.604 7.810 ( -4.024 -7.967 -3.123) 9.457 7.923 ( -4.849 6.364 -6.728) 10.454 8.139 ( 3.820 -3.870 -3.494) 6.463 8.288 ( 0.706 -13.174 -2.058) 13.353 8.543 ( -2.963 -10.093 -0.823) 10.551 8.599 ( -2.814 -10.034 1.662) 10.553 8.798 ( -1.936 -9.186 1.564) 9.517 8.922 ( -1.236 -17.755 4.860) 18.449 9.193 ( -4.486 17.815 4.402) 18.891 9.257 ( -3.912 14.513 2.199) 15.191 9.767 ( -2.548 -0.688 -6.198) 6.737 10.051 ( -10.751 -8.162 -1.296) 13.561 10.337 ( 9.792 7.117 -7.208) 14.088 10.771 ( 12.567 -4.293 -2.615) 13.535 10.939 ( 6.715 6.137 0.539) 9.113 11.153 ( -5.894 11.660 3.268) 13.467 11.549 ( 1.577 -6.582 -8.019) 10.493 11.696 ( -3.986 3.581 -0.363) 5.371 11.900 ( -1.147 -6.225 -0.796) 6.380 11.989 ( -1.209 -8.246 2.995) 8.856 12.338 ( 0.456 4.059 0.664) 4.138 12.584 ( -4.063 8.182 4.313) 10.102 12.787 ( 0.276 -5.776 4.239) 7.170 13.004 ( -2.195 -3.600 7.334) 8.460 13.822 ( 3.182 11.937 -3.061) 12.727 13.994 ( -0.513 8.895 -3.409) 9.540 14.564 ( 8.940 -8.695 -8.264) 14.961 14.848 ( 8.132 -21.622 -11.176) 25.662 19.176 ( 2.316 9.592 1.152) 9.934 19.663 ( 4.690 -1.746 0.192) 5.008 19.789 ( 1.108 9.781 -10.366) 14.295 19.945 ( -0.360 7.301 0.940) 7.370 20.058 ( 2.894 2.145 0.076) 3.603 20.468 ( -3.024 -7.468 6.248) 10.196 20.679 ( -21.412 14.960 15.165) 30.204 21.250 ( -13.180 -4.675 -3.026) 14.309 22.005 ( 3.634 13.275 2.798) 14.045 22.273 ( -0.855 9.184 3.952) 10.035 22.864 ( 2.778 -11.060 -1.520) 11.504 23.165 ( -0.747 -19.953 4.211) 20.406 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.38 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 22.498 16.898 -1.672) 28.186 2.828 ( 21.491 17.372 10.152) 29.440 3.320 ( 13.292 -9.352 2.801) 16.492 3.395 ( -17.089 10.288 0.520) 19.953 3.928 ( -11.946 10.494 6.322) 17.111 4.098 ( -4.579 -1.187 -1.493) 4.960 4.250 ( 13.877 9.763 7.495) 18.549 4.369 ( 12.145 -15.364 -3.792) 19.948 4.579 ( 3.142 -0.330 -3.454) 4.681 4.723 ( 1.868 -2.969 2.699) 4.426 4.899 ( -6.776 -8.227 1.439) 10.755 4.962 ( -7.646 -15.995 -0.044) 17.729 5.955 ( 14.015 6.705 0.888) 15.561 6.445 ( -7.275 17.346 -0.486) 18.816 6.685 ( -0.335 -8.915 1.603) 9.064 7.108 ( -6.906 6.425 0.539) 9.448 7.256 ( -8.052 13.918 -6.330) 17.281 7.398 ( -11.689 9.541 -1.819) 15.198 7.484 ( 2.205 -0.162 -6.128) 6.515 7.609 ( 0.215 9.721 -9.543) 13.624 7.773 ( 1.976 0.342 1.562) 2.542 7.878 ( -1.591 2.372 -3.605) 4.600 8.195 ( 1.606 -9.405 -0.102) 9.542 8.334 ( 0.532 -11.070 -6.680) 12.940 8.433 ( -2.747 -5.109 -1.637) 6.027 8.572 ( -1.604 -11.027 -0.221) 11.146 8.773 ( 0.002 -11.839 -2.758) 12.156 8.873 ( -3.077 -18.152 0.784) 18.428 9.148 ( -0.303 14.358 8.697) 16.789 9.194 ( -2.131 12.024 6.433) 13.802 9.740 ( 0.141 -3.508 -5.587) 6.599 9.869 ( -6.336 -7.091 -1.304) 9.598 10.541 ( 9.483 9.108 -1.582) 13.243 10.882 ( -3.643 7.554 -1.274) 8.482 11.105 ( 5.092 10.536 0.037) 11.702 11.166 ( 11.535 0.085 2.607) 11.826 11.485 ( -6.934 0.122 -7.174) 9.978 11.598 ( -5.476 -3.937 -1.740) 6.966 11.898 ( 0.900 -6.244 1.389) 6.460 11.961 ( -1.441 -7.464 3.280) 8.279 12.360 ( 1.586 5.681 2.971) 6.604 12.483 ( -4.460 9.553 7.021) 12.667 12.832 ( 2.958 -9.790 3.504) 10.811 12.955 ( -2.526 -8.189 6.041) 10.485 13.892 ( 3.060 14.799 -3.454) 15.502 13.977 ( -1.065 12.509 -3.061) 12.922 14.750 ( 8.140 -12.541 -10.170) 18.082 14.941 ( 0.744 -20.327 -12.832) 24.050 19.259 ( 5.512 13.903 0.039) 14.955 19.587 ( -7.879 17.877 -6.316) 20.532 19.875 ( 2.501 0.069 3.800) 4.550 19.954 ( -0.333 4.865 -0.919) 4.962 20.160 ( 8.080 -1.381 0.243) 8.200 20.393 ( -1.872 2.776 9.109) 9.704 20.438 ( -2.984 -3.272 4.366) 6.219 20.931 ( -16.328 -5.811 -2.345) 17.490 22.098 ( 4.621 11.410 3.212) 12.722 22.245 ( -1.945 9.363 3.752) 10.273 22.929 ( 3.469 -12.279 0.035) 12.759 23.106 ( -4.083 -17.557 3.016) 18.276 ======================= Grid point 85 (35/120) ======================= q-point: (-0.50 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -19.108 12.837 -0.729) 23.031 2.875 ( 19.108 12.837 -0.729) 23.031 3.339 ( -12.421 11.149 8.872) 18.902 3.339 ( 12.421 11.149 8.872) 18.902 3.877 ( -9.722 -3.288 -0.803) 10.295 3.877 ( 9.722 -3.288 -0.803) 10.295 4.522 ( -5.254 -3.615 -2.932) 7.019 4.522 ( 5.254 -3.615 -2.932) 7.019 4.671 ( -8.712 -1.888 1.383) 9.021 4.671 ( 8.712 -1.888 1.383) 9.021 4.827 ( -3.092 -9.610 3.672) 10.742 4.827 ( 3.092 -9.610 3.672) 10.742 6.235 ( -11.818 8.525 1.094) 14.613 6.235 ( 11.818 8.525 1.094) 14.613 6.860 ( -15.247 -5.324 -1.450) 16.214 6.860 ( 15.247 -5.324 -1.450) 16.214 7.185 ( -4.243 15.079 -1.310) 15.719 7.185 ( 4.243 15.079 -1.310) 15.719 7.582 ( -3.531 8.974 -10.014) 13.902 7.582 ( 3.531 8.974 -10.014) 13.902 7.832 ( -2.838 1.290 0.110) 3.119 7.832 ( 2.838 1.290 0.110) 3.119 8.248 ( -4.158 -9.319 -1.852) 10.371 8.248 ( 4.158 -9.319 -1.852) 10.371 8.501 ( -4.763 -7.905 -2.838) 9.656 8.501 ( 4.763 -7.905 -2.838) 9.656 8.806 ( -2.798 -16.152 -2.371) 16.563 8.806 ( 2.798 -16.152 -2.371) 16.563 9.160 ( -1.161 11.970 8.746) 14.870 9.160 ( 1.161 11.970 8.746) 14.870 9.773 ( -2.955 -5.569 -3.091) 7.021 9.773 ( 2.955 -5.569 -3.091) 7.021 10.735 ( -8.567 9.966 0.411) 13.148 10.735 ( 8.567 9.966 0.411) 13.148 11.259 ( -7.193 10.448 -1.761) 12.806 11.259 ( 7.193 10.448 -1.761) 12.806 11.446 ( -7.835 -7.651 -2.049) 11.141 11.446 ( 7.835 -7.651 -2.049) 11.141 11.928 ( -1.642 -6.756 2.549) 7.405 11.928 ( 1.642 -6.756 2.549) 7.405 12.406 ( -2.828 7.658 5.469) 9.827 12.406 ( 2.828 7.658 5.469) 9.827 12.896 ( -2.944 -10.084 4.653) 11.490 12.896 ( 2.944 -10.084 4.653) 11.490 13.946 ( -1.988 14.800 -3.339) 15.301 13.946 ( 1.988 14.800 -3.339) 15.301 14.893 ( -4.896 -16.628 -11.946) 21.051 14.893 ( 4.896 -16.628 -11.946) 21.051 19.407 ( -8.211 17.948 -2.450) 19.889 19.407 ( 8.211 17.948 -2.450) 19.889 19.917 ( -2.091 3.565 3.795) 5.611 19.917 ( 2.091 3.565 3.795) 5.611 20.315 ( -5.284 -3.167 1.648) 6.377 20.315 ( 5.284 -3.167 1.648) 6.377 20.590 ( -14.463 -4.559 0.256) 15.167 20.590 ( 14.463 -4.559 0.256) 15.167 22.187 ( -3.556 10.065 3.542) 11.247 22.187 ( 3.556 10.065 3.542) 11.247 23.013 ( -4.362 -14.578 1.582) 15.298 23.013 ( 4.362 -14.578 1.582) 15.298 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 0.000 26.013 9.840) 27.811 2.039 ( 0.000 25.909 -12.163) 28.622 2.623 ( 0.000 -9.719 11.997) 15.440 2.959 ( 0.000 -33.746 -13.252) 36.255 3.645 ( 0.000 24.557 23.568) 34.037 4.029 ( 0.000 -12.266 9.240) 15.357 4.311 ( 0.000 2.058 -2.058) 2.911 4.389 ( 0.000 -7.577 7.364) 10.566 4.676 ( 0.000 11.713 -4.140) 12.423 4.737 ( 0.000 9.276 0.001) 9.276 4.960 ( 0.000 -14.052 -1.682) 14.152 4.978 ( 0.000 -11.753 -2.189) 11.955 6.215 ( 0.000 27.994 1.249) 28.021 6.738 ( 0.000 -27.098 1.691) 27.150 7.060 ( 0.000 18.905 -2.271) 19.041 7.321 ( 0.000 -7.887 -2.860) 8.389 7.424 ( 0.000 16.784 -0.740) 16.800 7.553 ( 0.000 0.937 4.654) 4.747 7.583 ( 0.000 1.927 -1.848) 2.670 7.702 ( 0.000 -10.609 -6.071) 12.223 7.704 ( 0.000 10.830 -9.405) 14.344 7.961 ( 0.000 -10.464 -14.855) 18.170 8.097 ( 0.000 2.265 -3.571) 4.228 8.172 ( 0.000 -4.998 -3.302) 5.990 8.431 ( 0.000 3.704 6.941) 7.868 8.573 ( 0.000 -5.234 6.707) 8.508 8.658 ( 0.000 -8.312 14.795) 16.970 8.662 ( 0.000 -10.763 9.841) 14.584 9.707 ( 0.000 10.632 -2.783) 10.990 9.816 ( 0.000 -1.842 -3.300) 3.779 9.909 ( 0.000 20.000 1.597) 20.064 10.063 ( 0.000 9.348 -12.557) 15.654 10.189 ( 0.000 -9.180 -15.151) 17.715 10.316 ( 0.000 -16.789 -4.477) 17.376 10.918 ( 0.000 9.135 -5.148) 10.485 11.108 ( 0.000 -10.738 -6.493) 12.549 11.563 ( 0.000 10.932 2.143) 11.140 11.786 ( 0.000 -11.747 0.112) 11.748 11.851 ( 0.000 2.349 3.491) 4.207 11.896 ( 0.000 -3.141 -0.242) 3.151 12.402 ( 0.000 4.464 -5.693) 7.234 12.498 ( 0.000 -5.051 -7.515) 9.054 13.095 ( 0.000 5.809 7.573) 9.544 13.136 ( 0.000 0.786 7.094) 7.137 13.871 ( 0.000 5.772 -4.099) 7.079 13.964 ( 0.000 -1.470 -9.346) 9.461 14.279 ( 0.000 -3.033 -1.158) 3.247 14.284 ( 0.000 -5.274 3.227) 6.183 19.249 ( 0.000 4.270 1.794) 4.632 19.328 ( 0.000 -4.053 0.578) 4.094 19.963 ( 0.000 3.355 -1.459) 3.658 19.990 ( 0.000 0.171 1.416) 1.427 20.157 ( 0.000 10.038 3.930) 10.779 20.349 ( 0.000 -10.209 4.904) 11.326 21.544 ( 0.000 0.355 -1.089) 1.145 21.555 ( 0.000 -0.847 -1.907) 2.086 22.296 ( 0.000 7.946 -4.319) 9.044 22.453 ( 0.000 -8.590 -4.519) 9.706 22.568 ( 0.000 11.106 7.747) 13.541 22.784 ( 0.000 -11.733 8.531) 14.506 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.12 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 12.089 22.568 3.833) 25.887 2.195 ( 14.483 20.026 -6.866) 25.650 2.697 ( 7.251 -4.204 9.436) 12.621 3.079 ( 10.392 -32.530 -9.817) 35.533 3.770 ( 11.404 22.798 20.932) 32.984 4.084 ( 3.624 -6.485 3.457) 8.194 4.299 ( -1.184 0.920 -1.784) 2.330 4.388 ( 0.466 -9.833 8.733) 13.159 4.627 ( -3.491 11.475 -2.912) 12.342 4.700 ( -3.929 11.202 2.309) 12.094 4.891 ( -5.272 -14.559 -2.246) 15.646 4.946 ( -3.585 -13.257 -0.761) 13.755 6.141 ( -5.698 25.970 1.905) 26.656 6.625 ( -8.899 -24.856 2.095) 26.484 7.064 ( -0.242 19.328 -1.480) 19.386 7.311 ( -1.455 -5.780 -0.674) 5.999 7.455 ( 2.781 13.030 -2.360) 13.530 7.596 ( 3.457 1.565 2.227) 4.400 7.631 ( 3.300 0.647 0.640) 3.423 7.682 ( -0.511 -1.663 -7.424) 7.626 7.715 ( -0.164 4.804 -10.634) 11.670 7.975 ( 1.422 -10.970 -14.708) 18.404 8.068 ( -2.688 2.622 -3.998) 5.485 8.156 ( -1.544 -5.725 -3.938) 7.118 8.417 ( -1.396 3.146 6.482) 7.339 8.557 ( -1.649 -4.659 5.725) 7.564 8.634 ( -1.791 -10.276 12.289) 16.119 8.660 ( -0.725 -9.621 7.924) 12.485 9.620 ( -6.838 10.722 -1.045) 12.759 9.706 ( -6.183 12.228 -4.538) 14.434 9.825 ( -7.481 3.164 0.021) 8.123 10.085 ( -10.513 -13.938 -3.310) 17.769 10.239 ( 11.983 7.590 -12.390) 18.833 10.381 ( 9.149 -7.942 -7.526) 14.262 10.993 ( 5.696 9.823 -4.684) 12.283 11.189 ( 5.896 -10.226 -5.877) 13.186 11.538 ( -2.137 11.033 1.211) 11.303 11.764 ( -1.933 -11.585 -0.006) 11.745 11.835 ( -1.688 2.511 1.158) 3.240 11.888 ( -0.743 -3.688 1.550) 4.069 12.410 ( 0.744 5.141 -4.745) 7.035 12.519 ( 1.804 -5.900 -5.470) 8.245 12.997 ( -7.694 6.179 8.365) 12.936 13.066 ( -5.679 -1.123 8.639) 10.400 13.933 ( 5.661 9.870 -5.091) 12.465 14.060 ( 6.393 0.201 -9.359) 11.335 14.293 ( 2.826 -3.880 -1.249) 4.960 14.356 ( 5.119 -9.892 0.227) 11.140 19.273 ( 2.501 6.263 1.416) 6.891 19.388 ( 5.270 -5.891 0.676) 7.933 19.959 ( -0.255 4.225 -2.361) 4.846 20.002 ( 0.894 -0.502 -0.309) 1.071 20.149 ( -0.631 9.799 4.324) 10.729 20.338 ( -1.046 -10.038 5.089) 11.302 21.366 ( -16.417 4.082 0.334) 16.920 21.427 ( -10.572 -2.677 -1.596) 11.022 22.269 ( -0.432 14.400 -2.127) 14.563 22.473 ( 0.755 2.716 0.257) 2.831 22.591 ( 1.641 -3.067 2.576) 4.329 22.799 ( 0.757 -15.086 7.851) 17.024 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.25 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 17.183 20.222 -2.743) 26.677 2.596 ( 21.370 4.148 -1.595) 21.827 2.926 ( 13.706 6.835 6.465) 16.625 3.344 ( 12.851 -27.386 -4.308) 30.557 4.045 ( -0.690 9.988 -0.854) 10.049 4.086 ( 6.668 7.222 3.438) 10.414 4.260 ( 0.065 4.318 2.760) 5.125 4.477 ( 6.861 -11.663 10.250) 16.976 4.534 ( -8.332 12.259 4.400) 15.462 4.596 ( -1.534 7.706 -1.367) 7.975 4.790 ( -3.462 -13.145 1.177) 13.644 4.832 ( -6.256 -14.296 1.639) 15.691 6.046 ( -1.545 19.832 2.751) 20.082 6.438 ( -7.044 -20.903 2.734) 22.227 7.013 ( -5.543 18.800 0.237) 19.601 7.251 ( -4.741 -5.910 0.397) 7.587 7.516 ( 1.796 8.481 -3.263) 9.262 7.636 ( -3.136 6.769 -1.762) 7.665 7.677 ( 2.022 0.883 0.296) 2.226 7.683 ( 2.020 -6.294 -4.655) 8.085 7.719 ( 0.683 14.066 -10.554) 17.599 8.000 ( -2.753 3.716 -7.105) 8.477 8.028 ( 3.371 -12.682 -12.640) 18.220 8.108 ( -2.617 -6.600 -5.505) 8.984 8.373 ( -2.493 0.550 4.754) 5.396 8.498 ( -3.849 -1.953 2.915) 5.208 8.585 ( -2.676 -13.107 7.699) 15.435 8.626 ( -2.441 -9.873 3.025) 10.611 9.490 ( -4.792 12.962 2.473) 14.039 9.556 ( -7.118 16.374 0.419) 17.860 9.689 ( -4.665 -7.136 -1.581) 8.671 9.848 ( -9.907 -13.322 1.309) 16.653 10.497 ( 12.044 8.876 -9.230) 17.579 10.650 ( 14.464 -7.324 -4.660) 16.869 11.111 ( 4.413 10.432 -3.765) 11.937 11.285 ( 2.341 -4.723 -3.155) 6.143 11.491 ( -1.924 8.049 -1.991) 8.512 11.716 ( -2.093 -11.835 -0.001) 12.019 11.775 ( -3.890 3.640 -0.823) 5.391 11.864 ( -1.558 -5.343 3.118) 6.379 12.436 ( 1.748 6.433 -1.837) 6.914 12.567 ( 2.645 -6.933 -1.422) 7.555 12.824 ( -7.859 6.754 9.374) 13.974 12.934 ( -6.212 -4.611 9.494) 12.247 14.073 ( 6.603 14.267 -6.236) 16.912 14.170 ( 3.842 8.372 -6.353) 11.190 14.388 ( 5.374 -8.989 -5.272) 11.725 14.479 ( 5.643 -16.791 -4.149) 18.193 19.362 ( 5.854 9.897 0.560) 11.512 19.537 ( 8.370 -8.560 0.486) 11.982 19.950 ( -0.967 5.893 -5.436) 8.075 20.017 ( 0.248 -1.056 -3.394) 3.563 20.143 ( 0.591 8.109 5.087) 9.591 20.310 ( -1.300 -9.053 5.876) 10.871 20.950 ( -20.324 12.513 3.962) 24.194 21.137 ( -15.921 -7.683 -1.053) 17.709 22.296 ( 2.533 16.960 0.130) 17.149 22.477 ( -0.294 10.929 3.522) 11.486 22.627 ( 1.777 -12.549 -0.225) 12.677 22.797 ( -0.973 -18.289 6.395) 19.399 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.38 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 19.054 18.096 -4.020) 26.583 3.040 ( 19.312 -7.848 -1.598) 20.907 3.225 ( 11.711 12.490 4.198) 17.628 3.488 ( -2.984 -6.213 -0.777) 6.936 3.939 ( -2.372 -0.250 -6.297) 6.734 4.076 ( -0.573 -11.242 -4.414) 12.091 4.246 ( -14.738 14.678 5.378) 21.484 4.472 ( 2.855 0.149 3.836) 4.784 4.563 ( 2.667 1.438 3.908) 4.945 4.655 ( 5.809 -4.001 3.279) 7.779 4.716 ( -0.377 -4.280 4.708) 6.374 4.780 ( -0.320 -6.447 5.765) 8.654 6.128 ( 9.668 12.225 3.179) 15.907 6.398 ( 4.862 -15.144 2.698) 16.133 6.797 ( -14.761 15.088 1.843) 21.188 7.056 ( -14.920 -11.526 0.538) 18.861 7.478 ( -2.430 13.542 -2.875) 14.055 7.573 ( -3.496 12.493 -1.444) 13.053 7.698 ( 1.593 -2.309 -4.888) 5.636 7.719 ( 1.016 2.544 -3.187) 4.202 7.779 ( 4.277 9.291 -5.346) 11.541 7.959 ( -2.206 5.155 -9.775) 11.270 8.064 ( -0.198 -5.969 -6.428) 8.774 8.102 ( 2.129 -13.637 -10.514) 17.351 8.336 ( -0.395 -2.051 1.942) 2.852 8.413 ( -3.489 0.259 0.997) 3.638 8.529 ( -2.233 -15.731 1.970) 16.010 8.562 ( -3.298 -10.618 -0.960) 11.160 9.420 ( -1.892 12.994 5.460) 14.221 9.443 ( -3.364 14.155 5.019) 15.390 9.624 ( -1.478 -8.710 0.505) 8.849 9.692 ( -4.907 -11.739 3.355) 13.158 10.746 ( 11.170 11.897 -5.586) 17.249 10.940 ( 11.654 -6.411 -5.218) 14.288 11.132 ( -2.473 7.570 -1.980) 8.206 11.308 ( -0.440 -6.027 -3.850) 7.165 11.459 ( -0.209 10.493 -1.758) 10.642 11.657 ( -5.368 5.703 0.848) 7.877 11.716 ( 0.601 -10.831 -0.657) 10.868 11.820 ( -2.600 -8.051 2.772) 8.903 12.485 ( 2.865 7.572 2.008) 8.341 12.620 ( 1.129 -1.959 3.576) 4.231 12.687 ( -3.804 1.443 7.266) 8.327 12.814 ( -5.061 -7.363 8.326) 12.213 14.190 ( 4.124 16.611 -6.172) 18.194 14.230 ( 1.860 14.201 -5.102) 15.204 14.497 ( 4.515 -13.923 -7.348) 16.378 14.565 ( 2.161 -19.126 -7.570) 20.683 19.518 ( 8.646 13.056 -1.163) 15.703 19.719 ( 7.784 -6.479 -0.658) 10.149 19.895 ( -4.355 6.460 -5.952) 9.805 19.995 ( -2.790 -2.347 -4.593) 5.864 20.196 ( 4.701 5.235 4.218) 8.203 20.315 ( 2.994 -6.549 6.006) 9.377 20.572 ( -14.475 11.890 5.652) 19.567 20.785 ( -16.461 -9.861 0.490) 19.195 22.359 ( 3.100 15.927 1.660) 16.310 22.460 ( -1.338 13.336 3.817) 13.936 22.668 ( 2.099 -15.159 0.359) 15.308 22.763 ( -2.055 -17.920 4.497) 18.590 ======================= Grid point 94 (40/120) ======================= q-point: (-0.50 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( -15.776 14.899 -3.339) 21.955 3.146 ( 15.776 14.899 -3.339) 21.955 3.377 ( -8.941 -7.656 -0.538) 11.783 3.377 ( 8.941 -7.656 -0.538) 11.783 3.960 ( -8.975 12.558 2.010) 15.566 3.960 ( 8.975 12.558 2.010) 15.566 4.263 ( -12.824 -17.958 -2.085) 22.165 4.263 ( 12.824 -17.958 -2.085) 22.165 4.704 ( -2.012 3.043 4.833) 6.055 4.704 ( 2.012 3.043 4.833) 6.055 4.750 ( -2.525 -1.971 4.931) 5.880 4.750 ( 2.525 -1.971 4.931) 5.880 6.427 ( -16.831 12.106 2.678) 20.904 6.427 ( 16.831 12.106 2.678) 20.904 6.672 ( -17.842 -13.052 1.788) 22.178 6.672 ( 17.842 -13.052 1.788) 22.178 7.492 ( -3.128 16.440 -1.578) 16.809 7.492 ( 3.128 16.440 -1.578) 16.809 7.725 ( -0.701 -2.721 -3.828) 4.748 7.725 ( 0.701 -2.721 -3.828) 4.748 7.879 ( -4.801 8.208 -7.278) 11.975 7.879 ( 4.801 8.208 -7.278) 11.975 8.097 ( -2.123 -8.639 -8.492) 12.299 8.097 ( 2.123 -8.639 -8.492) 12.299 8.359 ( -1.966 -1.445 0.571) 2.506 8.359 ( 1.966 -1.445 0.571) 2.506 8.510 ( -0.888 -13.964 -1.844) 14.114 8.510 ( 0.888 -13.964 -1.844) 14.114 9.405 ( -0.423 13.047 6.569) 14.614 9.405 ( 0.423 13.047 6.569) 14.614 9.626 ( -1.577 -10.082 2.853) 10.596 9.626 ( 1.577 -10.082 2.853) 10.596 10.958 ( -8.131 13.293 -3.825) 16.045 10.958 ( 8.131 13.293 -3.825) 16.045 11.207 ( -8.057 -12.399 -4.926) 15.586 11.207 ( 8.057 -12.399 -4.926) 15.586 11.530 ( -5.757 12.737 0.772) 13.999 11.530 ( 5.757 12.737 0.772) 13.999 11.760 ( -2.804 -11.022 1.302) 11.448 11.760 ( 2.804 -11.022 1.302) 11.448 12.558 ( -3.984 8.398 5.565) 10.834 12.558 ( 3.984 8.398 5.565) 10.834 12.719 ( -3.803 -8.910 5.847) 11.316 12.719 ( 3.803 -8.910 5.847) 11.316 14.243 ( -0.845 16.769 -5.448) 17.652 14.243 ( 0.845 16.769 -5.448) 17.652 14.567 ( -1.841 -17.661 -8.314) 19.607 14.567 ( 1.841 -17.661 -8.314) 19.607 19.710 ( -8.456 13.669 -4.161) 16.603 19.710 ( 8.456 13.669 -4.161) 16.603 19.902 ( -5.321 -6.144 -1.684) 8.300 19.902 ( 5.321 -6.144 -1.684) 8.300 20.336 ( -8.241 5.708 4.347) 10.927 20.336 ( 8.241 5.708 4.347) 10.927 20.474 ( -11.784 -7.569 2.997) 14.323 20.474 ( 11.784 -7.569 2.997) 14.323 22.420 ( -2.461 14.518 2.935) 15.015 22.420 ( 2.461 14.518 2.935) 15.015 22.715 ( -2.317 -16.487 2.278) 16.804 22.715 ( 2.317 -16.487 2.278) 16.804 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 0.000 33.479) 33.479 1.728 ( 0.000 0.000 41.191) 41.191 2.494 ( 0.000 0.000 58.354) 58.354 3.967 ( 0.000 0.000 -19.921) 19.921 4.136 ( 0.000 0.000 4.289) 4.289 4.141 ( 0.000 0.000 -8.381) 8.381 4.143 ( 0.000 0.000 -9.825) 9.825 4.504 ( 0.000 0.000 10.533) 10.533 4.600 ( 0.000 0.000 0.205) 0.205 4.616 ( 0.000 0.000 5.305) 5.305 4.658 ( 0.000 0.000 4.969) 4.969 5.287 ( 0.000 0.000 -12.301) 12.301 5.691 ( 0.000 0.000 4.383) 4.383 5.819 ( 0.000 0.000 -8.696) 8.696 6.619 ( 0.000 0.000 -11.930) 11.930 7.161 ( 0.000 0.000 7.487) 7.487 7.268 ( 0.000 0.000 -6.085) 6.085 7.362 ( 0.000 0.000 1.036) 1.036 7.508 ( 0.000 0.000 -6.400) 6.400 7.680 ( 0.000 0.000 -5.587) 5.587 7.688 ( 0.000 0.000 3.406) 3.406 8.105 ( 0.000 0.000 3.519) 3.519 8.331 ( 0.000 0.000 -16.758) 16.758 8.566 ( 0.000 0.000 8.004) 8.004 8.810 ( 0.000 0.000 -15.073) 15.073 8.843 ( 0.000 0.000 -3.542) 3.542 8.980 ( 0.000 0.000 4.374) 4.374 9.037 ( 0.000 0.000 -6.274) 6.274 9.070 ( 0.000 0.000 15.922) 15.922 9.484 ( 0.000 0.000 3.057) 3.057 9.602 ( 0.000 0.000 -16.297) 16.297 9.806 ( 0.000 0.000 7.388) 7.388 10.433 ( 0.000 0.000 -4.228) 4.228 10.511 ( 0.000 0.000 -5.644) 5.644 10.614 ( 0.000 0.000 -3.983) 3.983 11.152 ( 0.000 0.000 -7.910) 7.910 11.317 ( 0.000 0.000 -15.919) 15.919 11.850 ( 0.000 0.000 -22.390) 22.390 12.274 ( 0.000 0.000 2.073) 2.073 12.314 ( 0.000 0.000 7.120) 7.120 12.386 ( 0.000 0.000 10.376) 10.376 12.399 ( 0.000 0.000 7.961) 7.961 12.895 ( 0.000 0.000 4.128) 4.128 13.183 ( 0.000 0.000 8.590) 8.590 13.550 ( 0.000 0.000 -1.787) 1.787 13.753 ( 0.000 0.000 -2.827) 2.827 14.323 ( 0.000 0.000 -6.556) 6.556 14.574 ( 0.000 0.000 -9.036) 9.036 18.817 ( 0.000 0.000 -0.387) 0.387 19.402 ( 0.000 0.000 -4.465) 4.465 19.505 ( 0.000 0.000 15.781) 15.781 19.888 ( 0.000 0.000 3.733) 3.733 19.940 ( 0.000 0.000 2.259) 2.259 20.891 ( 0.000 0.000 10.905) 10.905 21.468 ( 0.000 0.000 -10.051) 10.051 21.544 ( 0.000 0.000 0.184) 0.184 22.095 ( 0.000 0.000 4.103) 4.103 22.348 ( 0.000 0.000 10.284) 10.284 22.785 ( 0.000 0.000 -4.327) 4.327 23.492 ( 0.000 0.000 -4.130) 4.130 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 17.611 0.000 28.981) 33.912 1.845 ( 10.393 0.000 37.181) 38.606 2.738 ( 21.613 0.000 50.455) 54.889 3.827 ( -9.178 0.000 -11.269) 14.534 4.010 ( -8.117 0.000 -0.454) 8.129 4.176 ( 2.923 0.000 -9.578) 10.014 4.200 ( 1.569 0.000 -2.653) 3.083 4.531 ( -7.898 0.000 14.619) 16.616 4.624 ( 0.649 0.000 2.800) 2.875 4.682 ( 3.820 0.000 -6.824) 7.820 4.743 ( 18.671 0.000 2.497) 18.837 5.266 ( -1.565 0.000 -11.625) 11.730 5.705 ( 1.471 0.000 4.127) 4.381 5.723 ( -8.723 0.000 -7.762) 11.677 6.654 ( 3.136 0.000 -12.478) 12.867 7.152 ( -1.343 0.000 3.235) 3.502 7.212 ( -4.682 0.000 -5.470) 7.200 7.253 ( -7.821 0.000 -0.658) 7.849 7.440 ( -8.885 0.000 -5.692) 10.552 7.688 ( 0.445 0.000 -2.970) 3.003 7.790 ( 10.081 0.000 2.367) 10.355 8.137 ( 2.647 0.000 3.484) 4.375 8.209 ( -10.473 0.000 -15.998) 19.121 8.551 ( -1.149 0.000 8.243) 8.322 8.795 ( -2.645 0.000 -10.560) 10.886 8.852 ( 0.834 0.000 -4.313) 4.393 8.952 ( -1.447 0.000 3.905) 4.164 8.965 ( -5.765 0.000 -6.377) 8.596 9.103 ( 2.530 0.000 15.127) 15.337 9.449 ( -2.072 0.000 -1.704) 2.682 9.458 ( -6.264 0.000 -3.979) 7.421 10.033 ( 12.993 0.000 -1.635) 13.095 10.353 ( -12.229 0.000 -7.406) 14.297 10.461 ( 2.755 0.000 -2.764) 3.903 10.758 ( 11.829 0.000 -2.556) 12.102 11.096 ( -5.194 0.000 -6.575) 8.379 11.429 ( 8.259 0.000 -13.412) 15.751 11.723 ( -9.918 0.000 -13.945) 17.112 12.189 ( -2.437 0.000 7.971) 8.335 12.365 ( 0.165 0.000 4.543) 4.546 12.387 ( 0.022 0.000 9.330) 9.330 12.399 ( -0.005 0.000 9.158) 9.158 12.910 ( 1.502 0.000 3.475) 3.786 13.212 ( 2.863 0.000 7.461) 7.992 13.526 ( -2.302 0.000 -1.835) 2.944 13.797 ( 1.615 0.000 -5.410) 5.646 14.335 ( 3.405 0.000 -8.302) 8.973 14.725 ( 10.339 0.000 -18.669) 21.341 18.830 ( 1.264 0.000 0.337) 1.308 19.344 ( -3.699 0.000 5.491) 6.621 19.623 ( 9.183 0.000 4.946) 10.430 19.871 ( -1.295 0.000 3.657) 3.879 19.951 ( 0.926 0.000 1.808) 2.031 20.854 ( -3.387 0.000 9.887) 10.451 21.364 ( -22.850 0.000 6.809) 23.843 21.400 ( -6.348 0.000 -9.776) 11.656 21.862 ( -7.855 0.000 12.678) 14.914 22.226 ( -1.942 0.000 7.814) 8.051 22.942 ( 6.470 0.000 -3.542) 7.376 23.597 ( 5.347 0.000 -5.825) 7.907 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 26.128 0.000 22.627) 34.564 2.131 ( 15.748 0.000 28.606) 32.654 3.320 ( 30.658 0.000 34.582) 46.215 3.621 ( -12.101 0.000 -2.319) 12.321 3.841 ( -4.861 0.000 0.007) 4.861 4.196 ( -7.952 0.000 4.328) 9.053 4.209 ( -1.011 0.000 -2.127) 2.355 4.351 ( -1.872 0.000 3.423) 3.901 4.632 ( 0.273 0.000 1.754) 1.775 4.802 ( 6.732 0.000 -7.488) 10.069 5.199 ( 23.211 0.000 -3.292) 23.443 5.224 ( -3.014 0.000 -11.103) 11.505 5.483 ( -12.599 0.000 -4.881) 13.511 5.764 ( 4.366 0.000 3.254) 5.445 6.736 ( 4.023 0.000 -12.419) 13.055 7.031 ( -8.835 0.000 -5.623) 10.472 7.054 ( -10.432 0.000 -2.828) 10.809 7.152 ( -1.687 0.000 -6.092) 6.321 7.208 ( -11.725 0.000 -2.348) 11.958 7.632 ( -9.243 0.000 -3.001) 9.718 7.993 ( -5.291 0.000 -8.324) 9.863 8.035 ( 11.771 0.000 -1.314) 11.844 8.206 ( 3.779 0.000 4.573) 5.932 8.530 ( -0.879 0.000 7.816) 7.865 8.660 ( -9.290 0.000 0.289) 9.295 8.835 ( -5.872 0.000 -4.501) 7.399 8.883 ( 2.109 0.000 -5.452) 5.846 8.965 ( 2.307 0.000 -0.599) 2.383 9.146 ( 0.946 0.000 13.498) 13.531 9.350 ( -4.974 0.000 -2.446) 5.543 9.442 ( 1.825 0.000 -8.297) 8.496 10.077 ( -12.631 0.000 -8.603) 15.282 10.275 ( 9.701 0.000 -1.207) 9.776 10.556 ( 6.138 0.000 -0.412) 6.152 10.953 ( -7.395 0.000 -2.165) 7.705 11.051 ( 14.545 0.000 -1.348) 14.607 11.501 ( -10.758 0.000 -8.007) 13.411 11.587 ( 5.481 0.000 -9.475) 10.946 12.174 ( 0.545 0.000 10.386) 10.400 12.337 ( -2.045 0.000 8.361) 8.608 12.385 ( -0.177 0.000 8.156) 8.157 12.398 ( -0.115 0.000 10.598) 10.599 12.964 ( 3.713 0.000 1.788) 4.121 13.300 ( 5.210 0.000 4.590) 6.944 13.454 ( -4.425 0.000 -1.912) 4.821 13.776 ( -3.106 0.000 -2.851) 4.216 14.473 ( 8.540 0.000 -15.486) 17.685 14.900 ( 4.983 0.000 -27.173) 27.626 18.873 ( 2.877 0.000 2.196) 3.619 19.259 ( -4.346 0.000 8.883) 9.889 19.849 ( -0.460 0.000 3.874) 3.901 19.870 ( 13.803 0.000 -0.808) 13.827 19.976 ( 1.270 0.000 1.440) 1.919 20.752 ( -6.117 0.000 6.870) 9.199 20.815 ( -22.126 0.000 15.640) 27.096 21.205 ( -11.775 0.000 -8.989) 14.814 21.882 ( 5.124 0.000 8.259) 9.719 22.206 ( -0.642 0.000 6.905) 6.935 23.052 ( 4.863 0.000 -1.791) 5.182 23.620 ( -3.102 0.000 -3.198) 4.455 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 17.844 0.000 19.838) 26.682 2.667 ( 28.470 0.000 18.985) 34.220 3.287 ( -18.233 0.000 5.838) 19.145 3.747 ( -12.967 0.000 17.428) 21.722 3.853 ( 4.958 0.000 -0.529) 4.986 4.052 ( 19.138 0.000 17.364) 25.841 4.144 ( -5.221 0.000 -1.362) 5.396 4.430 ( 4.633 0.000 -6.239) 7.771 4.640 ( 0.642 0.000 -0.391) 0.752 4.932 ( 2.266 0.000 -5.466) 5.917 5.088 ( -7.694 0.000 -5.823) 9.649 5.271 ( -6.545 0.000 -4.491) 7.938 5.683 ( 20.686 0.000 -5.546) 21.416 5.888 ( 6.650 0.000 1.577) 6.835 6.757 ( -3.801 0.000 -5.825) 6.956 6.857 ( -6.800 0.000 -2.914) 7.398 6.893 ( -1.998 0.000 -13.191) 13.341 6.965 ( -10.446 0.000 -1.369) 10.535 7.099 ( -3.379 0.000 -14.619) 15.005 7.304 ( -16.830 0.000 -6.942) 18.205 8.032 ( 6.497 0.000 3.322) 7.297 8.253 ( 7.645 0.000 0.518) 7.663 8.307 ( 6.143 0.000 3.372) 7.008 8.438 ( -10.986 0.000 4.653) 11.931 8.504 ( -1.333 0.000 6.437) 6.573 8.704 ( -6.659 0.000 -2.485) 7.107 8.958 ( 4.947 0.000 -5.678) 7.531 9.027 ( 3.203 0.000 0.266) 3.214 9.138 ( -1.478 0.000 8.430) 8.558 9.227 ( -6.517 0.000 -3.734) 7.511 9.522 ( 5.332 0.000 -9.233) 10.662 9.838 ( -9.784 0.000 -8.866) 13.204 10.456 ( 7.600 0.000 -0.268) 7.605 10.686 ( 2.541 0.000 -2.564) 3.610 10.838 ( 0.126 0.000 3.593) 3.595 11.259 ( -11.964 0.000 -5.045) 12.984 11.340 ( 12.179 0.000 -1.397) 12.258 11.638 ( -0.858 0.000 -5.664) 5.729 12.202 ( 1.931 0.000 12.650) 12.797 12.293 ( -2.071 0.000 10.687) 10.886 12.382 ( -0.054 0.000 8.622) 8.623 12.393 ( -0.396 0.000 10.203) 10.211 13.067 ( 5.879 0.000 -0.081) 5.880 13.341 ( -6.048 0.000 -1.832) 6.319 13.425 ( 6.325 0.000 2.340) 6.744 13.685 ( -5.237 0.000 -0.437) 5.255 14.663 ( 8.817 0.000 -21.212) 22.972 14.927 ( -2.054 0.000 -28.034) 28.109 18.951 ( 4.307 0.000 4.599) 6.300 19.159 ( -4.984 0.000 8.721) 10.044 19.861 ( 1.787 0.000 4.861) 5.179 19.985 ( -1.188 0.000 3.942) 4.117 20.197 ( 16.616 0.000 -3.993) 17.090 20.500 ( -7.172 0.000 8.297) 10.967 20.611 ( -6.962 0.000 3.882) 7.972 20.912 ( -15.549 0.000 -7.767) 17.381 22.006 ( 5.977 0.000 7.378) 9.495 22.183 ( -1.864 0.000 7.238) 7.474 23.169 ( 6.401 0.000 -0.943) 6.470 23.497 ( -7.612 0.000 -0.997) 7.677 ======================= Grid point 130 (45/120) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -19.102 0.000 12.393) 22.770 2.884 ( 19.102 0.000 12.393) 22.770 3.260 ( -26.743 0.000 17.465) 31.941 3.260 ( 26.743 0.000 17.465) 31.941 4.000 ( -7.741 0.000 -0.608) 7.765 4.000 ( 7.741 0.000 -0.608) 7.765 4.442 ( -7.709 0.000 -0.747) 7.745 4.442 ( 7.709 0.000 -0.747) 7.745 4.728 ( -11.165 0.000 2.744) 11.497 4.728 ( 11.165 0.000 2.744) 11.497 5.142 ( -6.248 0.000 -5.662) 8.432 5.142 ( 6.248 0.000 -5.662) 8.432 5.962 ( -3.281 0.000 -2.147) 3.921 5.962 ( 3.281 0.000 -2.147) 3.921 6.766 ( -7.810 0.000 -10.482) 13.072 6.766 ( 7.810 0.000 -10.482) 13.072 6.811 ( -2.964 0.000 -1.955) 3.551 6.811 ( 2.964 0.000 -1.955) 3.551 7.088 ( -4.164 0.000 -11.948) 12.653 7.088 ( 4.164 0.000 -11.948) 12.653 8.213 ( -9.941 0.000 5.787) 11.503 8.213 ( 9.941 0.000 5.787) 11.503 8.362 ( -2.854 0.000 4.435) 5.274 8.362 ( 2.854 0.000 4.435) 5.274 8.554 ( -6.757 0.000 -0.193) 6.760 8.554 ( 6.757 0.000 -0.193) 6.760 9.084 ( -6.631 0.000 -4.878) 8.231 9.084 ( 6.631 0.000 -4.878) 8.231 9.092 ( -2.756 0.000 3.544) 4.490 9.092 ( 2.756 0.000 3.544) 4.490 9.658 ( -7.376 0.000 -8.898) 11.557 9.658 ( 7.376 0.000 -8.898) 11.557 10.604 ( -6.421 0.000 -0.583) 6.448 10.604 ( 6.421 0.000 -0.583) 6.448 11.006 ( -11.416 0.000 -0.300) 11.420 11.006 ( 11.416 0.000 -0.300) 11.420 11.550 ( -7.269 0.000 -2.810) 7.794 11.550 ( 7.269 0.000 -2.810) 7.794 12.248 ( -2.203 0.000 12.320) 12.516 12.248 ( 2.203 0.000 12.320) 12.516 12.384 ( -0.301 0.000 9.387) 9.392 12.384 ( 0.301 0.000 9.387) 9.392 13.204 ( -6.699 0.000 -1.316) 6.827 13.204 ( 6.699 0.000 -1.316) 6.827 13.561 ( -6.298 0.000 0.968) 6.372 13.561 ( 6.298 0.000 0.968) 6.372 14.831 ( -6.634 0.000 -25.431) 26.282 14.831 ( 6.634 0.000 -25.431) 26.282 19.051 ( -5.047 0.000 6.980) 8.613 19.051 ( 5.047 0.000 6.980) 8.613 19.923 ( -3.709 0.000 6.033) 7.082 19.923 ( 3.709 0.000 6.033) 7.082 20.484 ( -4.050 0.000 2.664) 4.848 20.484 ( 4.050 0.000 2.664) 4.848 20.560 ( -17.222 0.000 -6.144) 18.285 20.560 ( 17.222 0.000 -6.144) 18.285 22.118 ( -4.283 0.000 7.361) 8.516 22.118 ( 4.283 0.000 7.361) 8.516 23.325 ( -8.092 0.000 -0.534) 8.110 23.325 ( 8.092 0.000 -0.534) 8.110 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 11.917 30.477) 32.724 1.565 ( 0.000 -7.921 41.207) 41.961 2.851 ( 0.000 28.192 48.498) 56.097 3.750 ( 0.000 -20.922 -17.906) 27.538 4.075 ( 0.000 -22.542 9.632) 24.514 4.116 ( 0.000 -0.818 2.297) 2.438 4.132 ( 0.000 0.788 -8.352) 8.389 4.218 ( 0.000 5.377 -8.466) 10.029 4.602 ( 0.000 -0.247 5.471) 5.477 4.737 ( 0.000 5.976 2.330) 6.414 5.090 ( 0.000 20.606 -2.184) 20.721 5.256 ( 0.000 4.073 -4.426) 6.015 5.465 ( 0.000 -14.604 -4.136) 15.179 6.111 ( 0.000 21.279 -2.236) 21.396 6.720 ( 0.000 10.488 -10.063) 14.535 7.163 ( 0.000 0.183 1.813) 1.822 7.347 ( 0.000 2.670 -5.342) 5.972 7.380 ( 0.000 6.086 -2.625) 6.628 7.517 ( 0.000 0.136 -2.533) 2.536 7.672 ( 0.000 -0.803 3.866) 3.949 7.734 ( 0.000 4.573 -6.300) 7.784 7.988 ( 0.000 -10.705 5.232) 11.915 8.207 ( 0.000 -10.756 -2.940) 11.150 8.681 ( 0.000 -11.140 -4.655) 12.074 8.734 ( 0.000 14.860 -6.400) 16.179 8.805 ( 0.000 -11.533 -0.563) 11.546 8.943 ( 0.000 -4.574 -0.435) 4.595 8.995 ( 0.000 7.554 -5.582) 9.393 9.125 ( 0.000 -0.664 7.405) 7.434 9.478 ( 0.000 -11.612 -16.934) 20.533 9.530 ( 0.000 6.152 4.255) 7.480 9.830 ( 0.000 1.943 5.760) 6.079 10.354 ( 0.000 -6.925 -2.685) 7.427 10.550 ( 0.000 4.086 -5.743) 7.048 10.664 ( 0.000 1.929 -1.986) 2.769 11.141 ( 0.000 -2.348 -12.408) 12.628 11.291 ( 0.000 -0.808 -10.929) 10.959 11.805 ( 0.000 -3.744 -19.037) 19.402 12.054 ( 0.000 -12.356 10.869) 16.456 12.208 ( 0.000 -5.451 3.978) 6.748 12.457 ( 0.000 3.993 3.872) 5.562 12.505 ( 0.000 -0.381 6.219) 6.231 12.927 ( 0.000 4.310 5.206) 6.759 13.170 ( 0.000 0.655 7.118) 7.148 13.633 ( 0.000 6.511 -4.128) 7.709 13.757 ( 0.000 0.391 -2.151) 2.186 14.303 ( 0.000 -1.987 -6.449) 6.748 14.543 ( 0.000 -3.666 -7.235) 8.111 18.991 ( 0.000 13.671 -4.076) 14.266 19.395 ( 0.000 -0.749 -3.611) 3.688 19.574 ( 0.000 7.712 11.357) 13.728 19.938 ( 0.000 5.181 4.423) 6.812 19.963 ( 0.000 2.244 2.225) 3.160 20.833 ( 0.000 -5.907 10.212) 11.797 21.471 ( 0.000 0.250 -8.973) 8.976 21.540 ( 0.000 -0.484 -0.112) 0.497 22.110 ( 0.000 1.609 3.494) 3.846 22.396 ( 0.000 5.055 9.582) 10.834 22.720 ( 0.000 -6.554 -3.748) 7.550 23.379 ( 0.000 -10.492 0.119) 10.492 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 12.014 0.889 31.773) 33.980 1.848 ( 20.158 5.009 29.173) 35.812 3.000 ( 13.297 20.750 42.301) 48.957 3.687 ( -2.846 -12.425 -8.718) 15.443 4.013 ( -7.930 -0.087 1.670) 8.104 4.166 ( 3.794 -7.458 -4.259) 9.389 4.213 ( 2.148 -4.787 -2.840) 5.966 4.238 ( 7.101 -6.527 -4.736) 10.745 4.553 ( -5.232 0.563 10.882) 12.088 4.740 ( 0.772 4.475 -0.700) 4.595 5.133 ( 3.492 11.020 -6.138) 13.088 5.246 ( 0.396 9.251 -1.455) 9.374 5.424 ( -3.758 -14.329 -4.293) 15.423 6.085 ( -2.036 22.739 -1.322) 22.868 6.752 ( 2.841 10.160 -10.908) 15.176 7.113 ( -5.489 -2.923 -2.078) 6.557 7.277 ( -3.983 5.364 -2.005) 6.975 7.339 ( -3.886 7.306 -2.111) 8.540 7.435 ( -7.964 -0.071 -5.595) 9.733 7.708 ( 0.403 0.437 -1.873) 1.965 7.797 ( 7.048 1.575 0.246) 7.226 8.021 ( 2.234 -10.979 5.656) 12.550 8.136 ( -5.856 -7.081 -6.561) 11.291 8.577 ( -6.039 -2.389 -0.096) 6.495 8.741 ( -1.291 -5.493 -4.118) 6.986 8.794 ( -2.165 -4.607 -4.704) 6.931 8.909 ( -3.249 -1.994 -3.520) 5.189 8.989 ( 1.041 4.371 -1.111) 4.629 9.170 ( 2.815 4.550 8.029) 9.648 9.324 ( -5.526 -9.248 -0.357) 10.779 9.523 ( -4.013 4.515 -8.260) 10.234 10.018 ( 12.743 -1.229 1.604) 12.902 10.296 ( -9.147 -3.664 -5.851) 11.460 10.536 ( 3.686 3.704 -3.209) 6.132 10.763 ( 9.019 0.571 -0.627) 9.059 11.117 ( -3.773 2.038 -7.686) 8.801 11.374 ( 6.878 -4.764 -11.925) 14.567 11.707 ( -7.344 -1.044 -12.610) 14.630 12.063 ( 0.773 -9.683 9.051) 13.277 12.213 ( 0.241 -6.620 4.343) 7.921 12.405 ( -1.822 -0.090 6.137) 6.402 12.558 ( 1.178 6.221 5.137) 8.153 12.928 ( 0.595 1.455 5.043) 5.283 13.175 ( 0.812 -0.846 7.451) 7.543 13.607 ( -1.540 6.496 -2.144) 7.012 13.808 ( 2.246 1.199 -5.449) 6.015 14.317 ( 2.985 -1.867 -8.056) 8.792 14.655 ( 8.058 -6.841 -14.366) 17.836 18.987 ( -0.014 12.488 -2.511) 12.738 19.409 ( -0.152 6.290 -0.366) 6.302 19.619 ( 5.405 0.834 6.883) 8.791 19.918 ( -1.276 4.751 4.154) 6.439 19.979 ( 1.135 2.762 1.865) 3.520 20.801 ( -3.019 -5.522 9.252) 11.190 21.355 ( -19.183 -0.635 3.742) 19.555 21.401 ( -8.525 -0.152 -6.885) 10.959 21.921 ( -6.934 5.958 10.088) 13.614 22.274 ( -2.360 5.078 7.596) 9.437 22.886 ( 6.711 -5.821 -3.152) 9.427 23.474 ( 5.301 -11.850 -2.145) 13.158 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 20.770 -1.676 24.134) 31.885 2.324 ( 23.564 11.627 20.616) 33.399 3.333 ( 14.389 -2.749 18.440) 23.551 3.662 ( -5.343 5.181 4.912) 8.917 3.856 ( 2.131 3.824 7.552) 8.729 4.166 ( -5.029 -0.878 -1.517) 5.326 4.272 ( 1.109 2.933 -3.646) 4.809 4.358 ( -0.977 -4.295 4.387) 6.217 4.466 ( 4.125 -9.162 1.701) 10.191 4.771 ( 2.150 -0.026 -0.467) 2.200 5.139 ( -3.349 -7.694 -10.121) 13.147 5.280 ( -4.709 -9.856 -2.639) 11.238 5.433 ( 12.548 14.111 -1.459) 18.939 6.056 ( -0.062 23.072 0.120) 23.072 6.826 ( 3.403 9.242 -11.466) 15.115 6.936 ( -9.729 -4.904 -4.402) 11.751 7.188 ( -7.145 7.806 -7.531) 12.989 7.222 ( -10.220 2.253 -2.633) 10.792 7.240 ( -3.640 8.590 -4.020) 10.159 7.679 ( -9.889 4.522 -4.667) 11.833 7.815 ( -0.720 -10.894 -3.160) 11.366 8.077 ( 3.245 -11.625 6.411) 13.667 8.132 ( 7.154 1.727 -1.815) 7.580 8.481 ( -3.112 -4.991 3.445) 6.816 8.638 ( -7.454 -5.169 -2.421) 9.388 8.758 ( -1.861 -7.694 -4.323) 9.019 8.845 ( -1.359 -0.821 -3.181) 3.556 9.031 ( 2.234 4.949 -0.469) 5.450 9.203 ( -0.158 4.745 11.513) 12.454 9.253 ( -2.641 -8.222 0.498) 8.650 9.462 ( -0.153 2.619 -12.873) 13.138 10.033 ( -11.329 -3.004 -6.629) 13.465 10.292 ( 10.374 1.385 0.748) 10.493 10.654 ( 6.857 7.376 -1.098) 10.130 10.971 ( -2.276 2.520 -2.154) 4.021 11.043 ( 8.954 -0.936 -0.125) 9.003 11.456 ( -3.716 -3.971 -9.792) 11.201 11.590 ( -0.186 0.353 -8.378) 8.387 12.086 ( 1.480 -7.668 10.126) 12.787 12.213 ( -0.304 -7.356 5.657) 9.285 12.390 ( 0.180 -0.410 6.624) 6.640 12.537 ( -2.475 9.098 8.038) 12.390 12.966 ( 2.987 -1.475 3.855) 5.095 13.202 ( 1.265 -4.790 5.856) 7.671 13.581 ( -0.693 9.095 -1.822) 9.301 13.807 ( -1.989 3.269 -3.740) 5.351 14.440 ( 7.700 -3.427 -14.557) 16.821 14.802 ( 4.648 -9.503 -22.414) 24.785 19.003 ( 1.646 10.873 0.360) 11.003 19.362 ( -3.932 11.069 4.586) 12.610 19.807 ( 10.937 -5.020 -0.005) 12.034 19.898 ( -0.223 4.529 4.541) 6.417 20.016 ( 2.765 3.057 0.684) 4.178 20.709 ( -5.533 -4.504 6.535) 9.675 20.845 ( -21.716 3.039 13.831) 25.925 21.194 ( -12.006 -1.268 -8.192) 14.590 21.934 ( 4.627 5.545 7.537) 10.438 22.250 ( -0.784 4.618 6.704) 8.178 22.996 ( 4.672 -5.856 -1.544) 7.649 23.508 ( -2.243 -11.266 -1.366) 11.568 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 21.511 -1.296 17.262) 27.612 2.829 ( 23.429 11.878 16.454) 30.996 3.311 ( -16.162 2.754 4.448) 16.988 3.610 ( 3.945 -10.262 6.773) 12.913 3.931 ( -12.841 5.504 8.177) 16.188 4.097 ( 1.657 1.379 2.896) 3.610 4.245 ( 10.303 10.678 11.495) 18.769 4.429 ( 4.514 -0.907 -6.333) 7.830 4.583 ( 4.805 -6.421 -2.069) 8.282 4.838 ( 3.265 -5.838 -0.184) 6.692 5.016 ( -6.628 -6.095 -4.322) 9.988 5.163 ( -5.555 -9.526 -2.858) 11.391 5.785 ( 17.538 8.875 -3.682) 19.998 6.084 ( 1.975 17.769 0.340) 17.882 6.741 ( -5.701 -2.641 -4.515) 7.737 6.878 ( -0.885 6.846 -10.062) 12.202 6.982 ( -9.278 4.541 -3.630) 10.949 7.064 ( -5.259 11.096 -5.730) 13.551 7.166 ( -4.375 6.601 -15.177) 17.119 7.336 ( -15.794 2.808 -7.807) 17.841 7.905 ( 6.495 -9.045 4.537) 12.024 8.116 ( 0.057 -12.078 6.962) 13.941 8.325 ( 9.151 -1.041 -0.244) 9.214 8.423 ( -2.230 -4.379 1.958) 5.290 8.485 ( -5.829 -3.391 1.181) 6.846 8.673 ( -5.826 -3.143 -2.078) 6.938 8.878 ( 3.694 -6.611 -3.735) 8.444 9.054 ( -1.232 -1.441 -2.598) 3.216 9.169 ( -1.472 -0.791 3.419) 3.806 9.207 ( -1.513 4.442 7.576) 8.911 9.519 ( 4.709 0.964 -11.593) 12.550 9.812 ( -9.154 -1.346 -7.927) 12.183 10.494 ( 8.693 3.322 1.730) 9.466 10.817 ( 0.411 12.217 -2.798) 12.540 10.838 ( 1.559 0.410 2.598) 3.058 11.270 ( -7.107 1.118 -2.653) 7.668 11.319 ( 8.579 -2.532 -4.058) 9.822 11.606 ( -1.093 -3.274 -5.251) 6.284 12.125 ( 2.067 -7.138 11.028) 13.298 12.199 ( -1.054 -7.274 7.737) 10.672 12.404 ( 1.037 1.403 7.363) 7.567 12.479 ( -2.587 7.261 9.091) 11.919 13.047 ( 4.371 -3.140 2.869) 6.099 13.204 ( -1.490 -7.311 3.893) 8.416 13.592 ( 1.963 11.039 -1.830) 11.361 13.743 ( -3.753 5.956 -2.028) 7.326 14.611 ( 7.923 -5.277 -19.829) 21.996 14.836 ( -1.275 -9.056 -24.755) 26.390 19.059 ( 3.607 9.989 2.961) 11.025 19.261 ( -5.209 10.706 5.605) 13.159 19.903 ( 1.498 4.108 4.762) 6.465 19.977 ( 1.829 -1.497 2.703) 3.591 20.171 ( 12.987 -1.927 -2.883) 13.442 20.517 ( -8.226 1.817 8.194) 11.752 20.587 ( -5.816 -2.455 3.777) 7.357 20.901 ( -15.141 -1.251 -6.908) 16.689 22.050 ( 5.707 4.751 6.923) 10.153 22.224 ( -1.955 4.370 6.962) 8.449 23.106 ( 5.926 -6.585 -0.633) 8.881 23.405 ( -6.737 -9.560 -0.092) 11.696 ======================= Grid point 139 (50/120) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -19.504 0.229 11.317) 22.550 2.870 ( 19.504 0.229 11.317) 22.550 3.367 ( -21.298 9.093 14.060) 27.092 3.367 ( 21.298 9.093 14.060) 27.092 3.946 ( -9.094 -4.922 -0.571) 10.356 3.946 ( 9.094 -4.922 -0.571) 10.356 4.471 ( -2.617 1.661 -2.549) 4.013 4.471 ( 2.617 1.661 -2.549) 4.013 4.735 ( -10.533 0.814 4.063) 11.319 4.735 ( 10.533 0.814 4.063) 11.319 5.034 ( -6.182 -9.232 -2.363) 11.360 5.034 ( 6.182 -9.232 -2.363) 11.360 6.062 ( -6.472 9.130 -1.479) 11.289 6.062 ( 6.472 9.130 -1.479) 11.289 6.767 ( -7.913 0.833 -9.261) 12.209 6.767 ( 7.913 0.833 -9.261) 12.209 6.908 ( -4.583 9.313 -3.267) 10.881 6.908 ( 4.583 9.313 -3.267) 10.881 7.155 ( -3.832 6.677 -12.798) 14.935 7.155 ( 3.832 6.677 -12.798) 14.935 8.048 ( -6.070 -11.082 6.623) 14.266 8.048 ( 6.070 -11.082 6.623) 14.266 8.402 ( -2.029 -4.274 2.403) 5.306 8.402 ( 2.029 -4.274 2.403) 5.306 8.523 ( -8.081 -0.944 -1.061) 8.205 8.523 ( 8.081 -0.944 -1.061) 8.205 8.975 ( -4.948 -8.417 -4.049) 10.570 8.975 ( 4.948 -8.417 -4.049) 10.570 9.177 ( -1.322 5.575 5.432) 7.895 9.177 ( 1.322 5.575 5.432) 7.895 9.643 ( -6.883 -0.124 -9.366) 11.623 9.643 ( 6.883 -0.124 -9.366) 11.623 10.667 ( -7.692 5.170 1.373) 9.369 10.667 ( 7.692 5.170 1.373) 9.369 11.046 ( -10.830 4.913 -2.288) 12.111 11.046 ( 10.830 4.913 -2.288) 12.111 11.518 ( -7.133 -3.685 -2.461) 8.397 11.518 ( 7.133 -3.685 -2.461) 8.397 12.168 ( -1.811 -7.091 9.912) 12.322 12.168 ( 1.811 -7.091 9.912) 12.322 12.433 ( -1.735 4.224 8.423) 9.581 12.433 ( 1.735 4.224 8.423) 9.581 13.140 ( -4.104 -5.605 2.760) 7.475 13.140 ( 4.104 -5.605 2.760) 7.475 13.658 ( -3.924 9.011 -1.619) 9.961 13.658 ( 3.924 9.011 -1.619) 9.961 14.759 ( -5.653 -7.253 -23.342) 25.088 14.759 ( 5.653 -7.253 -23.342) 25.088 19.151 ( -4.937 9.979 4.829) 12.135 19.151 ( 4.937 9.979 4.829) 12.135 19.952 ( -2.715 2.617 5.504) 6.672 19.952 ( 2.715 2.617 5.504) 6.672 20.416 ( -6.242 -4.936 0.115) 7.959 20.416 ( 6.242 -4.936 0.115) 7.959 20.591 ( -11.097 1.454 -2.646) 11.501 20.591 ( 11.097 1.454 -2.646) 11.501 22.159 ( -4.211 4.359 7.001) 9.260 22.159 ( 4.211 4.359 7.001) 9.260 23.249 ( -7.373 -7.874 -0.028) 10.787 23.249 ( 7.373 -7.874 -0.028) 10.787 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.000 12.684 24.878) 27.925 1.815 ( 0.000 18.898 23.903) 30.471 3.202 ( 0.000 -2.108 25.399) 25.486 3.279 ( 0.000 -27.599 -12.704) 30.382 3.825 ( 0.000 4.493 21.666) 22.127 4.106 ( 0.000 -0.470 0.027) 0.470 4.179 ( 0.000 4.825 -4.037) 6.291 4.358 ( 0.000 9.350 -8.069) 12.350 4.599 ( 0.000 -0.180 1.782) 1.791 4.807 ( 0.000 1.027 8.597) 8.658 5.051 ( 0.000 -8.165 -9.812) 12.765 5.181 ( 0.000 -15.525 -5.501) 16.471 5.723 ( 0.000 29.459 4.333) 29.776 6.555 ( 0.000 25.039 -2.599) 25.173 6.986 ( 0.000 15.405 -6.330) 16.655 7.148 ( 0.000 -2.747 -6.691) 7.233 7.339 ( 0.000 -1.791 -3.260) 3.719 7.450 ( 0.000 -7.709 5.560) 9.505 7.539 ( 0.000 6.938 -6.976) 9.839 7.660 ( 0.000 -0.267 4.966) 4.973 7.778 ( 0.000 -7.623 6.446) 9.983 7.816 ( 0.000 2.164 -8.425) 8.699 8.057 ( 0.000 -4.415 -3.126) 5.410 8.371 ( 0.000 -18.573 -0.998) 18.599 8.615 ( 0.000 -8.133 2.534) 8.519 8.769 ( 0.000 -7.150 -0.211) 7.153 9.021 ( 0.000 -7.443 7.365) 10.471 9.045 ( 0.000 -8.355 2.798) 8.811 9.162 ( 0.000 21.356 -11.835) 24.416 9.352 ( 0.000 5.303 -26.610) 27.133 9.702 ( 0.000 10.064 0.408) 10.072 9.858 ( 0.000 1.431 3.034) 3.354 10.190 ( 0.000 -10.590 -2.523) 10.886 10.591 ( 0.000 -10.259 0.801) 10.290 10.655 ( 0.000 6.804 -5.663) 8.853 11.058 ( 0.000 -5.738 -14.259) 15.370 11.346 ( 0.000 6.652 -5.649) 8.726 11.743 ( 0.000 -2.595 -14.005) 14.243 11.950 ( 0.000 0.239 7.235) 7.239 12.086 ( 0.000 -7.156 5.298) 8.903 12.413 ( 0.000 -7.087 4.687) 8.497 12.465 ( 0.000 -3.022 -2.103) 3.682 13.070 ( 0.000 9.750 5.848) 11.369 13.216 ( 0.000 3.320 5.233) 6.198 13.748 ( 0.000 5.335 -5.499) 7.662 13.768 ( 0.000 0.997 -1.206) 1.565 14.257 ( 0.000 -2.492 -5.798) 6.310 14.434 ( 0.000 -7.613 -4.006) 8.603 19.189 ( 0.000 7.013 -0.670) 7.045 19.374 ( 0.000 -1.506 -1.657) 2.240 19.772 ( 0.000 11.506 2.009) 11.680 20.008 ( 0.000 2.076 2.111) 2.961 20.076 ( 0.000 9.255 6.027) 11.045 20.684 ( 0.000 -9.605 9.161) 13.273 21.476 ( 0.000 0.337 -7.050) 7.058 21.526 ( 0.000 -0.995 -1.102) 1.484 22.158 ( 0.000 3.622 1.759) 4.027 22.529 ( 0.000 8.817 8.198) 12.039 22.563 ( 0.000 -9.468 -2.824) 9.880 23.158 ( 0.000 -12.216 4.314) 12.955 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 11.630 13.657 20.697) 27.389 2.047 ( 19.439 14.505 20.704) 31.889 3.129 ( -1.389 -12.421 8.088) 14.887 3.474 ( 12.531 -16.419 3.145) 20.892 3.918 ( 8.210 5.434 19.775) 22.090 4.058 ( -4.867 1.393 -0.970) 5.154 4.201 ( 0.755 2.521 -2.894) 3.912 4.344 ( 0.444 8.608 -6.858) 11.015 4.574 ( -2.208 1.282 3.603) 4.416 4.790 ( -1.923 0.310 7.151) 7.412 5.036 ( -1.558 -8.596 -8.449) 12.153 5.148 ( -2.793 -14.162 -4.258) 15.050 5.706 ( -0.597 26.670 4.319) 27.024 6.548 ( -0.748 25.614 -2.256) 25.724 6.990 ( -2.327 3.677 -3.647) 5.677 7.054 ( -4.393 5.664 -8.635) 11.223 7.346 ( -0.147 1.516 -3.751) 4.048 7.408 ( -3.815 -1.778 2.019) 4.668 7.510 ( -3.052 7.254 -7.170) 10.647 7.677 ( -2.114 -2.915 -0.980) 3.731 7.753 ( 4.345 -7.570 5.596) 10.368 7.887 ( 1.240 0.433 -2.802) 3.095 8.027 ( -1.413 -4.512 -3.619) 5.954 8.342 ( -2.555 -17.086 -0.606) 17.286 8.584 ( -2.699 -8.352 0.792) 8.813 8.712 ( -5.122 -5.923 -1.503) 7.974 8.918 ( -5.816 -3.506 1.483) 6.951 9.044 ( -2.638 -15.482 1.213) 15.752 9.179 ( 1.459 17.955 -8.250) 19.813 9.330 ( 0.693 9.673 -8.201) 12.700 9.645 ( -5.424 6.248 -8.407) 11.796 10.015 ( 11.967 2.144 3.971) 12.789 10.191 ( -4.686 -8.815 -5.607) 11.450 10.533 ( 4.918 -4.812 0.835) 6.931 10.784 ( 6.858 2.628 -1.487) 7.493 11.135 ( 4.260 -2.847 -11.994) 13.042 11.333 ( -0.261 3.651 -6.157) 7.163 11.702 ( -3.427 0.309 -11.687) 12.183 11.943 ( -0.505 -3.353 6.289) 7.145 12.086 ( -0.058 -6.527 5.650) 8.633 12.361 ( -1.171 -3.407 1.950) 4.097 12.575 ( 6.097 -4.419 1.245) 7.632 13.007 ( -4.926 7.546 6.879) 11.337 13.206 ( -1.063 2.701 6.857) 7.446 13.726 ( 0.267 5.997 -2.151) 6.377 13.845 ( 3.879 2.759 -6.400) 7.976 14.270 ( 1.936 -2.878 -6.897) 7.720 14.493 ( 4.542 -9.878 -8.050) 13.528 19.178 ( -0.203 7.743 0.168) 7.747 19.463 ( 7.397 -1.722 -2.940) 8.144 19.742 ( -2.680 11.110 2.153) 11.630 20.001 ( -0.560 2.464 2.035) 3.245 20.075 ( 0.093 8.416 5.200) 9.893 20.660 ( -2.266 -9.154 8.334) 12.586 21.348 ( -15.363 -0.045 0.573) 15.374 21.390 ( -9.718 -0.958 -5.015) 10.977 22.067 ( -3.257 9.139 4.948) 10.891 22.407 ( -2.513 8.291 5.951) 10.511 22.740 ( 6.302 -8.763 -1.133) 10.853 23.212 ( 3.285 -14.953 2.923) 15.586 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 19.147 11.582 14.712) 26.781 2.540 ( 25.131 11.160 14.779) 31.218 3.174 ( 5.450 -11.963 3.292) 13.552 3.689 ( 0.346 -8.389 2.991) 8.913 3.930 ( 0.083 -2.730 1.298) 3.024 4.110 ( 3.376 -2.234 -1.079) 4.189 4.234 ( 7.406 9.310 10.652) 15.968 4.399 ( 2.899 7.455 -1.686) 8.174 4.500 ( -4.969 5.703 8.609) 11.460 4.736 ( -1.554 -5.442 0.677) 5.700 4.986 ( -3.059 -7.177 -4.574) 9.043 5.077 ( -3.807 -10.283 -0.521) 10.977 5.754 ( 6.104 18.532 2.652) 19.690 6.518 ( -2.265 23.606 -1.327) 23.752 6.819 ( -9.067 -7.042 -1.308) 11.555 7.077 ( 2.430 16.290 -12.280) 20.544 7.259 ( -7.510 2.898 -2.813) 8.527 7.341 ( -3.352 6.007 -7.072) 9.865 7.428 ( -3.611 9.596 -5.854) 11.806 7.625 ( -4.993 -6.967 -2.580) 8.951 7.773 ( -6.130 3.071 -5.462) 8.766 7.865 ( 3.470 -7.990 5.076) 10.082 8.087 ( 5.683 -6.422 -0.781) 8.611 8.279 ( -2.946 -15.028 -0.098) 15.315 8.508 ( -4.631 -7.596 -2.455) 9.229 8.602 ( -3.680 -7.013 -0.386) 7.929 8.805 ( -4.791 -5.120 -0.663) 7.043 8.960 ( -4.851 -16.919 -2.085) 17.724 9.224 ( 2.664 13.932 -1.871) 14.307 9.362 ( 0.987 9.065 5.996) 10.913 9.554 ( -1.930 5.486 -11.477) 12.866 9.977 ( -9.427 -4.217 -4.744) 11.365 10.317 ( 12.322 1.989 2.855) 12.804 10.730 ( 9.750 -1.019 -1.407) 9.904 10.964 ( 10.553 -1.556 1.531) 10.777 11.133 ( -3.542 9.250 -4.884) 11.043 11.363 ( 1.175 -4.996 -9.616) 10.900 11.622 ( -3.537 3.509 -7.289) 8.829 11.935 ( -0.010 -8.721 5.070) 10.088 12.079 ( -0.705 -6.741 5.938) 9.011 12.377 ( 2.319 0.177 3.020) 3.811 12.672 ( 1.981 2.002 4.107) 4.980 12.912 ( -2.618 -0.242 7.450) 7.901 13.169 ( -2.449 -0.637 8.376) 8.750 13.755 ( 2.172 9.543 -3.214) 10.301 13.897 ( 0.946 6.086 -6.054) 8.636 14.353 ( 5.476 -5.546 -11.889) 14.216 14.585 ( 3.428 -12.729 -14.339) 19.477 19.198 ( 2.205 9.768 1.124) 10.076 19.618 ( 0.591 11.500 -5.490) 12.757 19.703 ( 5.170 -3.631 3.160) 7.064 19.988 ( -0.607 3.041 2.478) 3.969 20.091 ( 1.767 6.261 3.042) 7.182 20.592 ( -3.818 -7.617 6.268) 10.578 20.921 ( -20.210 4.785 8.392) 22.400 21.157 ( -12.808 -2.639 -6.269) 14.502 22.087 ( 3.825 10.650 5.333) 12.510 22.378 ( -0.987 8.927 6.031) 10.819 22.841 ( 4.066 -10.281 -0.585) 11.071 23.236 ( -1.431 -16.695 2.215) 16.902 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 21.047 8.946 10.344) 25.100 3.042 ( 18.762 10.302 11.514) 24.305 3.315 ( 4.273 -7.544 -1.275) 8.764 3.486 ( -7.860 1.996 6.222) 10.221 3.958 ( -5.661 -5.247 -1.709) 7.906 4.138 ( -6.567 1.555 1.154) 6.847 4.253 ( 2.018 -7.165 0.616) 7.469 4.471 ( 2.906 2.133 -1.505) 3.906 4.573 ( 11.744 10.070 12.090) 19.634 4.763 ( 3.008 -3.485 2.045) 5.037 4.908 ( -3.923 -5.842 -1.431) 7.181 4.988 ( -4.419 -6.564 3.198) 8.535 5.972 ( 13.595 11.021 0.661) 17.514 6.438 ( -5.632 16.504 -0.265) 17.441 6.682 ( -2.596 -2.701 -2.414) 4.457 7.036 ( -9.122 6.386 -11.155) 15.762 7.132 ( -3.287 12.794 -3.269) 13.608 7.267 ( -0.793 6.919 -13.554) 15.239 7.335 ( -9.048 12.653 -6.968) 17.044 7.407 ( -6.835 6.364 -8.149) 12.395 7.781 ( 4.116 -3.578 1.729) 5.722 7.909 ( 0.306 -8.973 4.688) 10.128 8.203 ( 3.632 -10.304 -0.248) 10.929 8.229 ( -1.392 -14.765 -1.991) 14.963 8.419 ( -1.894 -3.985 0.149) 4.415 8.553 ( -2.422 -8.640 -0.548) 8.990 8.728 ( -1.695 -9.435 -1.552) 9.711 8.849 ( -5.252 -16.530 -2.978) 17.599 9.282 ( 2.545 11.460 3.101) 12.142 9.356 ( -1.096 9.408 8.441) 12.687 9.575 ( 3.210 3.723 -9.829) 10.990 9.798 ( -7.207 -1.232 -4.748) 8.718 10.560 ( 10.528 4.154 2.598) 11.612 10.864 ( 0.711 2.510 -0.226) 2.619 11.074 ( 0.944 11.423 -3.638) 12.026 11.209 ( 11.151 -5.172 0.264) 12.294 11.319 ( -4.874 0.685 -7.540) 9.004 11.551 ( -4.037 0.041 -2.958) 5.005 11.954 ( 1.874 -11.098 4.760) 12.220 12.053 ( -1.753 -8.228 5.891) 10.271 12.446 ( 3.939 3.839 5.199) 7.569 12.637 ( -4.199 8.932 7.553) 12.429 12.931 ( 3.482 -8.135 6.062) 10.726 13.104 ( -3.635 -4.581 8.331) 10.179 13.808 ( 2.661 12.091 -4.419) 13.145 13.895 ( -0.958 9.781 -4.995) 11.024 14.477 ( 5.712 -8.698 -16.286) 19.327 14.621 ( -0.179 -13.134 -18.076) 22.345 19.271 ( 4.561 12.084 1.389) 12.991 19.519 ( -6.159 14.990 -0.581) 16.217 19.896 ( 7.838 -7.134 -0.884) 10.636 19.980 ( -0.071 2.050 3.000) 3.634 20.171 ( 6.515 3.148 1.006) 7.305 20.521 ( -1.959 -4.378 3.879) 6.168 20.572 ( -12.202 4.137 7.278) 14.798 20.861 ( -14.473 -3.134 -4.613) 15.510 22.187 ( 5.002 9.800 5.540) 12.319 22.348 ( -2.072 8.928 6.251) 11.094 22.933 ( 4.758 -11.584 0.242) 12.525 23.162 ( -4.973 -15.503 2.040) 16.409 ======================= Grid point 148 (55/120) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( -18.988 7.066 7.017) 21.441 2.936 ( 18.988 7.066 7.017) 21.441 3.491 ( -5.876 0.645 5.627) 8.162 3.491 ( 5.876 0.645 5.627) 8.162 3.881 ( -5.432 0.946 1.845) 5.814 3.881 ( 5.432 0.946 1.845) 5.814 4.427 ( -6.664 -7.566 -5.481) 11.476 4.427 ( 6.664 -7.566 -5.481) 11.476 4.768 ( -4.787 2.802 6.578) 8.605 4.768 ( 4.787 2.802 6.578) 8.605 4.894 ( -3.897 -4.230 3.443) 6.703 4.894 ( 3.897 -4.230 3.443) 6.703 6.258 ( -11.609 11.276 0.934) 16.211 6.258 ( 11.609 11.276 0.934) 16.211 6.773 ( -11.384 -1.528 -7.877) 13.928 6.773 ( 11.384 -1.528 -7.877) 13.928 7.142 ( -5.013 15.027 -3.964) 16.330 7.142 ( 5.013 15.027 -3.964) 16.330 7.324 ( -3.338 11.195 -13.193) 17.622 7.324 ( 3.338 11.195 -13.193) 17.622 7.873 ( -3.606 -7.164 3.432) 8.724 7.873 ( 3.606 -7.164 3.432) 8.724 8.220 ( -0.896 -13.009 -0.638) 13.056 8.220 ( 0.896 -13.009 -0.638) 13.056 8.468 ( -4.831 -5.333 0.118) 7.197 8.468 ( 4.831 -5.333 0.118) 7.197 8.752 ( -3.474 -14.506 -2.565) 15.135 8.752 ( 3.474 -14.506 -2.565) 15.135 9.327 ( -1.668 10.155 6.250) 12.040 9.327 ( 1.668 10.155 6.250) 12.040 9.667 ( -5.278 1.494 -6.496) 8.502 9.667 ( 5.278 1.494 -6.496) 8.502 10.761 ( -8.115 5.256 1.707) 9.818 10.761 ( 8.115 5.256 1.707) 9.818 11.181 ( -6.841 6.285 -5.909) 11.010 11.181 ( 6.841 6.285 -5.909) 11.010 11.423 ( -8.096 -3.766 -0.180) 8.931 11.423 ( 8.096 -3.766 -0.180) 8.931 12.006 ( -2.603 -10.118 5.388) 11.755 12.006 ( 2.603 -10.118 5.388) 11.755 12.538 ( -4.656 7.093 7.085) 11.054 12.538 ( 4.656 7.093 7.085) 11.054 13.018 ( -4.308 -7.349 7.137) 11.113 13.018 ( 4.308 -7.349 7.137) 11.113 13.861 ( -2.133 12.099 -4.776) 13.182 13.861 ( 2.133 12.099 -4.776) 13.182 14.579 ( -3.615 -11.430 -18.493) 22.039 14.579 ( 3.615 -11.430 -18.493) 22.039 19.386 ( -6.085 14.027 0.740) 15.307 19.386 ( 6.085 14.027 0.740) 15.307 19.978 ( -0.808 -1.632 2.174) 2.836 19.978 ( 0.808 -1.632 2.174) 2.836 20.355 ( -9.201 -0.115 1.756) 9.368 20.355 ( 9.201 -0.115 1.756) 9.368 20.591 ( -9.050 -1.668 -0.210) 9.205 20.591 ( 9.050 -1.668 -0.210) 9.205 22.284 ( -3.934 9.102 6.000) 11.590 22.284 ( 3.934 9.102 6.000) 11.590 23.045 ( -5.689 -13.401 1.265) 14.614 23.045 ( 5.689 -13.401 1.265) 14.614 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.000 22.241 6.458) 23.160 2.146 ( 0.000 10.921 13.018) 16.992 2.804 ( 0.000 -17.300 0.113) 17.300 2.898 ( 0.000 -19.904 15.757) 25.386 4.024 ( 0.000 7.148 5.989) 9.325 4.091 ( 0.000 -1.509 -1.164) 1.906 4.361 ( 0.000 13.755 11.539) 17.954 4.559 ( 0.000 -5.785 3.942) 7.000 4.572 ( 0.000 13.718 -4.774) 14.525 4.796 ( 0.000 -2.600 8.352) 8.748 4.897 ( 0.000 -12.418 -5.179) 13.455 4.906 ( 0.000 -6.453 -4.796) 8.040 6.268 ( 0.000 28.775 4.229) 29.084 6.786 ( 0.000 -24.275 3.008) 24.461 7.015 ( 0.000 19.672 -2.043) 19.778 7.269 ( 0.000 -6.768 -3.179) 7.478 7.367 ( 0.000 12.323 -12.221) 17.356 7.435 ( 0.000 12.431 2.252) 12.633 7.547 ( 0.000 -7.834 -5.034) 9.312 7.671 ( 0.000 1.585 3.112) 3.492 7.707 ( 0.000 -2.124 3.945) 4.481 7.727 ( 0.000 -11.713 -7.129) 13.712 8.029 ( 0.000 1.064 -3.801) 3.947 8.109 ( 0.000 -8.462 -3.636) 9.211 8.536 ( 0.000 1.102 2.632) 2.853 8.630 ( 0.000 -7.159 -0.085) 7.159 8.868 ( 0.000 -5.620 6.012) 8.230 8.877 ( 0.000 -5.710 9.272) 10.890 9.540 ( 0.000 10.442 -21.786) 24.159 9.560 ( 0.000 16.835 -11.597) 20.443 9.757 ( 0.000 -1.360 -16.467) 16.523 9.954 ( 0.000 -14.626 -7.060) 16.241 10.015 ( 0.000 14.663 8.068) 16.736 10.322 ( 0.000 -16.873 2.591) 17.071 10.793 ( 0.000 7.612 -6.487) 10.001 10.934 ( 0.000 -7.292 -9.419) 11.912 11.513 ( 0.000 10.089 -5.928) 11.701 11.677 ( 0.000 -6.034 -9.467) 11.227 11.979 ( 0.000 0.692 7.438) 7.470 11.984 ( 0.000 -2.213 7.651) 7.965 12.320 ( 0.000 -0.977 -1.583) 1.861 12.377 ( 0.000 -5.340 -4.242) 6.820 13.226 ( 0.000 5.517 4.918) 7.391 13.263 ( 0.000 0.996 4.757) 4.860 13.800 ( 0.000 2.208 -2.288) 3.180 13.816 ( 0.000 1.440 -4.996) 5.199 14.229 ( 0.000 0.165 -3.942) 3.945 14.290 ( 0.000 -6.444 -2.303) 6.843 19.282 ( 0.000 3.661 1.309) 3.888 19.338 ( 0.000 -2.394 0.339) 2.418 19.947 ( 0.000 6.695 0.129) 6.696 20.020 ( 0.000 -1.277 1.407) 1.900 20.272 ( 0.000 11.300 7.508) 13.567 20.486 ( 0.000 -11.246 8.412) 14.044 21.486 ( 0.000 0.773 -5.068) 5.126 21.505 ( 0.000 -1.158 -2.899) 3.121 22.250 ( 0.000 6.175 -0.452) 6.192 22.389 ( 0.000 -8.624 -2.040) 8.862 22.716 ( 0.000 10.952 6.956) 12.974 22.932 ( 0.000 -11.876 5.890) 13.256 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 9.929 20.864 6.026) 23.879 2.294 ( 13.070 5.516 10.139) 17.437 2.844 ( 5.497 -8.107 5.506) 11.236 3.049 ( 11.941 -22.853 9.040) 27.324 4.065 ( 1.834 3.334 0.009) 3.804 4.089 ( -0.446 0.644 -0.293) 0.836 4.353 ( 0.016 12.429 9.534) 15.665 4.525 ( -0.941 -0.081 0.749) 1.205 4.586 ( 0.787 8.944 1.658) 9.130 4.795 ( -3.877 2.399 3.765) 5.913 4.854 ( 0.250 -12.753 2.202) 12.944 4.908 ( -0.967 -9.291 -2.662) 9.713 6.207 ( -4.763 26.759 4.893) 27.616 6.686 ( -8.098 -22.163 3.843) 23.907 7.030 ( 0.712 20.184 -1.899) 20.286 7.277 ( 0.002 -4.560 -5.406) 7.073 7.393 ( 1.844 7.923 -11.018) 13.695 7.427 ( -0.621 11.938 0.354) 11.959 7.535 ( -0.836 -4.922 -6.499) 8.195 7.663 ( -1.598 -0.211 -3.120) 3.511 7.693 ( 1.599 -0.106 3.731) 4.060 7.780 ( 2.639 -12.330 -2.332) 12.823 7.989 ( -3.686 1.565 -4.216) 5.814 8.085 ( -2.172 -9.284 -3.545) 10.172 8.507 ( -2.616 1.702 1.780) 3.593 8.605 ( -2.443 -5.946 0.126) 6.430 8.798 ( -5.948 -7.049 3.891) 10.010 8.810 ( -5.404 -5.696 5.243) 9.442 9.523 ( -0.592 9.633 -11.020) 14.648 9.561 ( -0.618 18.510 -9.873) 20.988 9.678 ( -5.083 -1.121 -11.395) 12.528 9.943 ( -3.766 -16.436 -9.145) 19.183 10.148 ( 10.930 10.608 4.545) 15.895 10.368 ( 7.236 -11.498 4.322) 14.256 10.877 ( 6.327 6.721 -6.184) 11.111 11.017 ( 6.544 -7.813 -9.906) 14.212 11.491 ( -2.001 10.654 -5.238) 12.039 11.666 ( -0.821 -6.182 -8.608) 10.630 11.912 ( -4.206 1.379 5.754) 7.260 11.987 ( -1.277 -4.865 6.769) 8.433 12.344 ( 2.957 2.896 -1.308) 4.340 12.452 ( 5.578 -7.299 -0.924) 9.233 13.152 ( -5.811 6.540 6.474) 10.883 13.227 ( -3.562 -1.229 6.566) 7.570 13.834 ( 3.616 5.325 -4.097) 7.630 13.887 ( 5.218 0.456 -7.108) 8.830 14.235 ( 0.723 0.257 -4.508) 4.573 14.315 ( 1.913 -8.011 -4.204) 9.247 19.301 ( 2.099 5.732 1.244) 6.230 19.398 ( 5.149 -4.553 0.166) 6.875 19.925 ( -2.047 7.310 -0.502) 7.608 20.009 ( -0.998 -1.805 0.739) 2.191 20.263 ( -0.720 10.949 7.007) 13.019 20.470 ( -1.446 -10.816 7.754) 13.387 21.353 ( -12.611 0.617 -2.113) 12.801 21.370 ( -10.836 -1.099 -3.872) 11.559 22.254 ( 1.569 10.712 0.691) 10.848 22.447 ( 3.912 -7.921 -1.453) 8.953 22.703 ( -1.013 8.959 6.723) 11.247 22.937 ( 0.042 -14.108 5.636) 15.193 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 16.250 18.131 4.801) 24.816 2.642 ( 18.317 -6.469 4.819) 20.015 3.046 ( 12.790 5.592 6.680) 15.475 3.344 ( 14.277 -21.347 5.035) 26.170 3.971 ( -8.310 5.399 -2.868) 10.316 4.067 ( -4.190 -3.980 -4.445) 7.290 4.420 ( 5.197 8.097 2.123) 9.853 4.565 ( 4.124 -3.730 1.199) 5.688 4.623 ( -2.211 5.536 4.041) 7.202 4.629 ( -4.522 7.298 4.929) 9.900 4.857 ( -2.099 -5.783 3.734) 7.197 4.910 ( 2.092 -7.993 8.088) 11.562 6.126 ( -1.312 21.061 5.160) 21.724 6.510 ( -6.980 -18.055 4.074) 19.781 7.004 ( -4.257 18.655 -1.475) 19.191 7.231 ( -5.170 -5.013 -4.891) 8.705 7.405 ( -1.187 4.570 -8.800) 9.987 7.435 ( 1.660 14.303 -9.756) 17.393 7.522 ( -0.080 1.736 -7.030) 7.241 7.631 ( -1.623 3.769 -3.192) 5.198 7.728 ( 1.038 -1.962 0.746) 2.342 7.830 ( 1.121 -10.191 -5.340) 11.560 7.896 ( -2.968 -1.920 -3.466) 4.950 8.024 ( -3.161 -11.902 -2.838) 12.637 8.435 ( -3.734 2.276 1.530) 4.634 8.530 ( -4.164 -2.141 1.421) 4.893 8.655 ( -6.849 -10.130 0.336) 12.233 8.681 ( -6.208 -8.048 1.062) 10.219 9.521 ( 0.133 7.301 -0.828) 7.349 9.536 ( -1.292 17.190 -3.562) 17.603 9.603 ( -1.579 -1.024 -6.012) 6.300 9.824 ( -5.789 -12.409 -3.744) 14.195 10.415 ( 13.201 8.705 1.542) 15.887 10.606 ( 13.077 -10.239 1.008) 16.639 11.012 ( 5.519 5.947 -5.362) 9.725 11.147 ( 4.526 -7.127 -8.938) 12.295 11.440 ( -2.212 12.184 -3.471) 12.861 11.654 ( -0.004 -6.518 -6.090) 8.920 11.813 ( -4.959 1.961 4.376) 6.898 11.943 ( -2.609 -8.114 4.456) 9.618 12.437 ( 5.335 6.237 1.940) 8.434 12.582 ( 6.353 -8.208 2.542) 10.686 13.009 ( -7.249 7.413 8.520) 13.420 13.125 ( -5.657 -4.398 8.861) 11.396 13.934 ( 5.233 8.765 -6.901) 12.322 14.003 ( 5.157 3.147 -9.258) 11.055 14.261 ( 1.699 -2.191 -7.277) 7.788 14.355 ( 1.546 -10.703 -7.951) 13.422 19.376 ( 4.894 9.233 0.893) 10.488 19.542 ( 8.056 -8.268 -0.244) 11.547 19.865 ( -3.505 9.156 -2.166) 10.040 19.982 ( -1.538 -3.358 -0.634) 3.748 20.252 ( -0.002 9.734 5.794) 11.328 20.432 ( -1.749 -9.279 6.234) 11.315 21.013 ( -17.342 4.796 1.765) 18.080 21.095 ( -14.545 -3.900 -3.225) 15.400 22.318 ( 3.991 13.342 2.042) 14.075 22.524 ( 2.992 -1.706 0.964) 3.577 22.682 ( -0.738 1.918 5.254) 5.642 22.917 ( -1.992 -16.440 5.241) 17.370 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 18.597 15.358 3.363) 24.352 3.030 ( 17.618 -14.050 1.049) 22.558 3.302 ( 6.138 11.237 4.629) 13.615 3.508 ( -2.282 -6.344 2.805) 7.302 3.855 ( 0.125 1.285 -1.750) 2.174 3.995 ( 3.303 -10.081 -3.201) 11.081 4.331 ( -14.322 7.700 2.233) 16.413 4.447 ( -6.370 -3.940 -3.067) 8.094 4.713 ( 6.509 -1.063 3.091) 7.283 4.723 ( 6.471 0.109 5.629) 8.578 4.842 ( 0.757 3.818 9.362) 10.139 4.926 ( -1.265 -2.897 7.392) 8.039 6.205 ( 9.145 13.646 3.866) 16.876 6.452 ( 2.818 -11.067 1.943) 11.584 6.818 ( -12.934 12.852 -0.803) 18.251 7.019 ( -14.945 -7.673 -5.788) 17.769 7.385 ( 0.554 13.019 -7.245) 14.909 7.470 ( 0.972 13.548 -10.297) 17.045 7.533 ( 0.506 3.685 -9.706) 10.395 7.575 ( -3.131 9.553 -4.770) 11.127 7.748 ( 1.375 0.011 -4.172) 4.393 7.797 ( -1.547 -1.523 -2.908) 3.629 7.919 ( 1.819 -15.390 -5.619) 16.484 7.974 ( -1.366 -14.391 -2.499) 14.670 8.376 ( -1.216 1.562 2.463) 3.160 8.449 ( -3.229 -0.852 2.965) 4.466 8.532 ( -4.218 -11.376 0.015) 12.133 8.561 ( -4.777 -10.400 0.191) 11.446 9.516 ( -0.110 9.139 2.849) 9.574 9.526 ( -0.121 10.855 2.227) 11.081 9.605 ( 1.413 -1.319 -2.919) 3.501 9.721 ( -3.942 -7.555 -0.726) 8.552 10.683 ( 11.717 9.248 -0.346) 14.931 10.864 ( 10.136 -6.731 -1.967) 12.325 11.063 ( -1.246 1.813 -4.293) 4.824 11.185 ( -1.176 -7.453 -7.302) 10.500 11.437 ( 2.733 14.399 -0.739) 14.674 11.657 ( -2.387 5.902 -2.357) 6.789 11.726 ( -0.529 -9.628 3.201) 10.160 11.877 ( -3.660 -10.596 3.067) 11.622 12.560 ( 6.142 7.979 5.089) 11.282 12.713 ( 5.651 -6.130 5.582) 10.033 12.858 ( -6.496 5.816 8.860) 12.431 12.997 ( -6.263 -6.974 9.346) 13.237 14.038 ( 4.220 11.743 -8.381) 15.032 14.088 ( 2.459 9.578 -8.751) 13.205 14.303 ( 2.150 -8.646 -11.297) 14.387 14.370 ( -0.221 -12.755 -11.458) 17.147 19.501 ( 6.680 12.231 -0.183) 13.937 19.716 ( 6.943 -9.000 0.229) 11.369 19.779 ( -3.854 9.619 -4.279) 11.211 19.940 ( -2.530 -5.922 -1.425) 6.595 20.285 ( 3.701 7.603 4.325) 9.498 20.420 ( 1.397 -6.412 4.465) 7.937 20.672 ( -14.102 6.075 3.619) 15.776 20.782 ( -14.253 -5.255 -1.036) 15.226 22.410 ( 4.411 13.464 3.299) 14.547 22.551 ( -0.942 11.015 4.661) 11.997 22.695 ( 2.426 -11.707 2.326) 12.180 22.855 ( -3.674 -16.338 4.347) 17.301 ======================= Grid point 157 (60/120) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( -16.704 12.369 2.134) 20.894 3.124 ( 16.704 12.369 2.134) 20.894 3.363 ( -12.534 -11.786 0.144) 17.206 3.363 ( 12.534 -11.786 0.144) 17.206 4.008 ( -13.940 10.507 2.482) 17.632 4.008 ( 13.940 10.507 2.482) 17.632 4.226 ( -12.928 -12.153 -1.662) 17.821 4.226 ( 12.928 -12.153 -1.662) 17.821 4.822 ( -3.474 2.495 6.091) 7.443 4.822 ( 3.474 2.495 6.091) 7.443 4.855 ( -5.010 -1.202 5.380) 7.449 4.855 ( 5.010 -1.202 5.380) 7.449 6.477 ( -13.966 11.773 1.375) 18.317 6.477 ( 13.966 11.773 1.375) 18.318 6.676 ( -13.608 -8.648 -2.621) 16.335 6.676 ( 13.608 -8.648 -2.621) 16.335 7.434 ( -3.365 14.569 -5.747) 16.019 7.434 ( 3.365 14.569 -5.747) 16.019 7.543 ( -0.849 8.318 -11.023) 13.836 7.543 ( 0.849 8.318 -11.023) 13.836 7.775 ( -0.927 -1.782 -3.591) 4.115 7.775 ( 0.927 -1.782 -3.591) 4.115 7.949 ( -1.319 -15.020 -4.667) 15.783 7.949 ( 1.319 -15.020 -4.667) 15.783 8.391 ( -2.204 -0.495 3.008) 3.762 8.391 ( 2.204 -0.495 3.008) 3.762 8.495 ( -0.953 -11.074 0.812) 11.145 8.495 ( 0.953 -11.074 0.812) 11.145 9.520 ( -0.367 9.470 3.726) 10.183 9.520 ( 0.367 9.470 3.726) 10.183 9.651 ( -2.786 -3.921 -0.807) 4.878 9.651 ( 2.786 -3.921 -0.807) 4.878 10.896 ( -7.516 9.550 -2.007) 12.318 10.896 ( 7.516 9.550 -2.007) 12.318 11.101 ( -5.858 -11.038 -5.220) 13.543 11.101 ( 5.858 -11.038 -5.220) 13.543 11.543 ( -6.222 12.842 0.638) 14.284 11.543 ( 6.222 12.842 0.638) 14.284 11.790 ( -4.279 -12.718 1.975) 13.563 11.790 ( 4.279 -12.718 1.975) 13.563 12.693 ( -6.236 9.126 7.382) 13.292 12.693 ( 6.236 9.126 7.382) 13.292 12.865 ( -5.911 -8.874 8.174) 13.435 12.865 ( 5.911 -8.874 8.174) 13.435 14.100 ( -1.316 13.170 -8.360) 15.654 14.100 ( 1.316 13.170 -8.360) 15.654 14.347 ( -1.800 -13.012 -13.071) 18.531 14.347 ( 1.800 -13.012 -13.071) 18.531 19.646 ( -6.589 13.183 -1.781) 14.846 19.646 ( 6.589 13.183 -1.781) 14.846 19.865 ( -4.863 -9.643 -1.576) 10.915 19.865 ( 4.863 -9.643 -1.576) 10.915 20.421 ( -8.838 5.836 3.521) 11.161 20.421 ( 8.838 5.836 3.521) 11.161 20.528 ( -8.505 -4.889 2.054) 10.023 20.528 ( 8.505 -4.889 2.054) 10.023 22.497 ( -3.616 13.366 4.561) 14.578 22.497 ( 3.616 13.366 4.561) 14.578 22.770 ( -4.111 -15.245 2.908) 16.055 22.770 ( 4.111 -15.245 2.908) 16.055 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 0.000 0.000 30.603) 30.603 2.501 ( 0.000 0.000 35.926) 35.926 3.541 ( 0.000 0.000 41.307) 41.307 3.598 ( 0.000 0.000 -15.853) 15.853 3.931 ( 0.000 0.000 -6.893) 6.893 3.950 ( 0.000 0.000 -10.239) 10.239 4.198 ( 0.000 0.000 1.050) 1.050 4.428 ( 0.000 0.000 -8.810) 8.810 4.692 ( 0.000 0.000 -0.247) 0.247 4.750 ( 0.000 0.000 13.944) 13.944 4.952 ( 0.000 0.000 15.564) 15.564 5.063 ( 0.000 0.000 -6.500) 6.500 5.626 ( 0.000 0.000 -10.557) 10.557 5.754 ( 0.000 0.000 0.223) 0.223 6.400 ( 0.000 0.000 -7.271) 7.271 7.108 ( 0.000 0.000 -9.814) 9.814 7.335 ( 0.000 0.000 8.652) 8.652 7.375 ( 0.000 0.000 -0.138) 0.138 7.382 ( 0.000 0.000 -5.727) 5.727 7.572 ( 0.000 0.000 -5.200) 5.200 7.777 ( 0.000 0.000 5.573) 5.573 7.996 ( 0.000 0.000 -15.488) 15.488 8.149 ( 0.000 0.000 0.822) 0.822 8.478 ( 0.000 0.000 -17.340) 17.340 8.722 ( 0.000 0.000 6.805) 6.805 8.757 ( 0.000 0.000 -5.014) 5.014 8.879 ( 0.000 0.000 -9.154) 9.154 9.079 ( 0.000 0.000 5.279) 5.279 9.266 ( 0.000 0.000 -16.105) 16.105 9.320 ( 0.000 0.000 6.880) 6.880 9.589 ( 0.000 0.000 9.415) 9.415 9.968 ( 0.000 0.000 8.495) 8.495 10.364 ( 0.000 0.000 -2.903) 2.903 10.438 ( 0.000 0.000 -1.570) 1.570 10.537 ( 0.000 0.000 -4.009) 4.009 10.970 ( 0.000 0.000 -18.182) 18.182 10.998 ( 0.000 0.000 -7.180) 7.180 11.392 ( 0.000 0.000 -21.913) 21.913 12.332 ( 0.000 0.000 3.465) 3.465 12.424 ( 0.000 0.000 3.798) 3.798 12.549 ( 0.000 0.000 6.673) 6.673 12.563 ( 0.000 0.000 7.075) 7.075 13.000 ( 0.000 0.000 6.327) 6.327 13.374 ( 0.000 0.000 10.261) 10.261 13.496 ( 0.000 0.000 -3.734) 3.734 13.717 ( 0.000 0.000 -0.378) 0.378 14.174 ( 0.000 0.000 -8.129) 8.129 14.367 ( 0.000 0.000 -11.412) 11.412 18.843 ( 0.000 0.000 2.838) 2.838 19.298 ( 0.000 0.000 -5.947) 5.947 19.841 ( 0.000 0.000 17.833) 17.833 19.963 ( 0.000 0.000 3.474) 3.474 19.987 ( 0.000 0.000 2.327) 2.327 21.111 ( 0.000 0.000 10.747) 10.747 21.228 ( 0.000 0.000 -13.899) 13.899 21.543 ( 0.000 0.000 -0.532) 0.532 22.195 ( 0.000 0.000 5.648) 5.648 22.572 ( 0.000 0.000 12.017) 12.017 22.684 ( 0.000 0.000 -5.744) 5.744 23.388 ( 0.000 0.000 -6.352) 6.352 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 12.523 0.000 28.302) 30.948 2.550 ( 4.406 0.000 32.572) 32.868 3.573 ( -1.993 0.000 -12.248) 12.409 3.663 ( 10.736 0.000 34.390) 36.027 3.907 ( -3.803 0.000 -7.990) 8.849 3.978 ( 4.539 0.000 -3.795) 5.916 4.211 ( 1.013 0.000 1.612) 1.904 4.473 ( 3.576 0.000 -9.068) 9.748 4.691 ( -0.034 0.000 -1.183) 1.184 4.865 ( -7.127 0.000 15.183) 16.773 4.876 ( 11.324 0.000 10.114) 15.183 5.070 ( -0.153 0.000 -3.933) 3.936 5.551 ( -6.622 0.000 -9.254) 11.379 5.771 ( 1.648 0.000 1.032) 1.944 6.422 ( 2.064 0.000 -8.571) 8.816 7.053 ( -5.035 0.000 -9.968) 11.168 7.205 ( -9.231 0.000 1.034) 9.289 7.207 ( -11.040 0.000 -4.100) 11.777 7.336 ( -6.912 0.000 -4.385) 8.185 7.686 ( 6.798 0.000 3.011) 7.435 7.874 ( -9.627 0.000 -16.816) 19.377 7.885 ( 8.561 0.000 6.253) 10.601 8.186 ( 3.336 0.000 1.339) 3.595 8.524 ( 3.500 0.000 -15.200) 15.598 8.706 ( -1.369 0.000 5.177) 5.355 8.766 ( 0.348 0.000 -3.606) 3.622 8.817 ( -3.575 0.000 -6.995) 7.856 9.036 ( -3.940 0.000 4.539) 6.010 9.277 ( -0.148 0.000 -12.545) 12.545 9.334 ( 0.792 0.000 2.932) 3.037 9.490 ( -6.910 0.000 9.735) 11.938 10.070 ( 8.239 0.000 4.882) 9.577 10.230 ( -13.882 0.000 -5.145) 14.805 10.417 ( 4.711 0.000 -2.061) 5.142 10.718 ( 13.575 0.000 -1.352) 13.642 10.965 ( -2.854 0.000 -6.068) 6.706 11.148 ( 12.397 0.000 -14.036) 18.727 11.349 ( -3.773 0.000 -19.614) 19.974 12.333 ( 0.955 0.000 5.914) 5.990 12.475 ( 3.465 0.000 4.942) 6.035 12.543 ( -0.267 0.000 6.824) 6.829 12.576 ( 0.837 0.000 7.322) 7.370 13.000 ( 0.105 0.000 5.537) 5.538 13.384 ( 0.957 0.000 9.110) 9.160 13.471 ( -2.331 0.000 -3.723) 4.392 13.710 ( -0.607 0.000 -2.399) 2.474 14.174 ( 0.275 0.000 -8.217) 8.221 14.396 ( 2.117 0.000 -14.941) 15.090 18.869 ( 2.489 0.000 3.475) 4.274 19.334 ( 2.908 0.000 -4.409) 5.282 19.847 ( 0.949 0.000 15.386) 15.415 19.944 ( -1.292 0.000 3.466) 3.699 19.991 ( 0.269 0.000 1.992) 2.011 21.051 ( -5.628 0.000 9.460) 11.008 21.167 ( -5.732 0.000 -13.512) 14.677 21.424 ( -13.225 0.000 0.694) 13.243 22.082 ( -6.542 0.000 9.509) 11.542 22.389 ( -4.567 0.000 7.274) 8.589 22.890 ( 8.199 0.000 -0.922) 8.250 23.467 ( 5.139 0.000 -7.335) 8.956 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 21.399 0.000 23.486) 31.773 2.675 ( 7.131 0.000 24.181) 25.211 3.511 ( -4.928 0.000 -7.420) 8.907 3.830 ( -1.509 0.000 -0.693) 1.661 3.928 ( 11.676 0.000 9.745) 15.209 4.139 ( 11.068 0.000 11.445) 15.921 4.223 ( -0.437 0.000 3.012) 3.043 4.508 ( -3.852 0.000 -3.473) 5.186 4.639 ( -6.680 0.000 1.268) 6.800 4.771 ( 3.664 0.000 8.464) 9.223 5.039 ( -3.007 0.000 -4.772) 5.640 5.196 ( 17.961 0.000 3.184) 18.241 5.386 ( -7.699 0.000 -4.077) 8.712 5.829 ( 3.958 0.000 2.420) 4.640 6.487 ( 3.894 0.000 -11.386) 12.034 6.901 ( -9.208 0.000 -9.537) 13.257 6.955 ( -11.774 0.000 -6.776) 13.585 6.994 ( -9.994 0.000 -6.074) 11.695 7.134 ( -11.272 0.000 -5.469) 12.529 7.534 ( -16.556 0.000 -8.687) 18.696 7.907 ( 8.872 0.000 0.825) 8.910 8.091 ( 10.191 0.000 5.777) 11.715 8.282 ( 5.485 0.000 3.028) 6.265 8.584 ( 0.868 0.000 -8.442) 8.487 8.667 ( -2.228 0.000 2.845) 3.614 8.749 ( -1.669 0.000 -0.812) 1.857 8.800 ( 1.710 0.000 -2.937) 3.399 8.934 ( -4.305 0.000 -0.275) 4.314 9.235 ( -3.750 0.000 -8.624) 9.404 9.279 ( -6.067 0.000 -6.124) 8.620 9.432 ( 2.016 0.000 12.005) 12.173 9.948 ( -11.810 0.000 -4.354) 12.587 10.258 ( 8.545 0.000 0.696) 8.573 10.538 ( 5.824 0.000 -2.045) 6.173 10.896 ( -2.943 0.000 -2.735) 4.017 11.035 ( 15.025 0.000 -0.153) 15.026 11.247 ( -5.508 0.000 -14.332) 15.354 11.391 ( 9.455 0.000 -9.624) 13.492 12.379 ( 3.111 0.000 8.917) 9.444 12.535 ( 1.780 0.000 9.871) 10.030 12.541 ( 0.146 0.000 7.215) 7.216 12.590 ( 0.313 0.000 8.061) 8.067 13.013 ( 1.398 0.000 3.218) 3.508 13.399 ( -4.353 0.000 -3.616) 5.659 13.420 ( 2.553 0.000 6.389) 6.880 13.691 ( -1.198 0.000 -4.637) 4.790 14.196 ( 1.897 0.000 -11.697) 11.850 14.429 ( 0.462 0.000 -20.307) 20.312 18.947 ( 4.822 0.000 5.083) 7.007 19.379 ( 0.245 0.000 1.936) 1.952 19.915 ( 6.384 0.000 6.566) 9.158 19.926 ( 0.015 0.000 3.676) 3.676 20.005 ( 1.294 0.000 1.435) 1.933 20.881 ( -10.078 0.000 6.023) 11.740 20.991 ( -10.595 0.000 -12.371) 16.288 21.024 ( -20.439 0.000 6.072) 21.322 22.062 ( 3.511 0.000 9.428) 10.061 22.350 ( -0.387 0.000 6.746) 6.757 23.025 ( 5.396 0.000 -0.449) 5.415 23.521 ( -0.767 0.000 -6.536) 6.581 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 9.560 0.000 14.611) 17.460 3.050 ( 25.548 0.000 18.904) 31.782 3.333 ( -11.126 0.000 -1.720) 11.258 3.888 ( 6.233 0.000 4.985) 7.981 4.020 ( -9.254 0.000 5.745) 10.892 4.175 ( -4.322 0.000 4.744) 6.417 4.310 ( -3.128 0.000 -2.895) 4.262 4.381 ( 5.803 0.000 10.712) 12.183 4.612 ( 4.422 0.000 -1.261) 4.598 4.927 ( 7.291 0.000 -1.152) 7.382 4.940 ( -4.080 0.000 1.157) 4.241 5.253 ( -5.216 0.000 3.130) 6.083 5.602 ( 19.145 0.000 -1.999) 19.249 5.932 ( 4.911 0.000 2.751) 5.629 6.555 ( 0.394 0.000 -15.364) 15.369 6.677 ( -10.765 0.000 -8.527) 13.733 6.749 ( -6.528 0.000 -7.922) 10.265 6.822 ( -4.063 0.000 -10.062) 10.851 6.888 ( -11.041 0.000 -6.848) 12.992 7.173 ( -15.945 0.000 -7.335) 17.551 8.106 ( 9.717 0.000 4.220) 10.594 8.298 ( 8.861 0.000 4.873) 10.112 8.407 ( 5.819 0.000 5.217) 7.815 8.510 ( -7.526 0.000 2.230) 7.849 8.610 ( -2.982 0.000 2.529) 3.910 8.695 ( -3.572 0.000 3.139) 4.755 8.872 ( 4.852 0.000 -3.004) 5.706 8.919 ( 2.920 0.000 -9.304) 9.751 9.128 ( -6.054 0.000 -6.177) 8.649 9.145 ( -6.245 0.000 -7.930) 10.094 9.503 ( 4.090 0.000 6.687) 7.839 9.740 ( -7.868 0.000 -1.085) 7.943 10.420 ( 6.784 0.000 -1.888) 7.042 10.611 ( -0.108 0.000 -4.828) 4.829 10.883 ( 2.595 0.000 1.033) 2.793 11.121 ( -6.266 0.000 -7.866) 10.056 11.321 ( 11.360 0.000 -0.434) 11.368 11.524 ( 2.652 0.000 -5.522) 6.126 12.451 ( 3.355 0.000 11.477) 11.957 12.547 ( -0.604 0.000 13.494) 13.507 12.549 ( 0.611 0.000 7.838) 7.862 12.586 ( -0.675 0.000 8.666) 8.692 13.068 ( 3.818 0.000 0.203) 3.824 13.291 ( -5.619 0.000 -3.192) 6.462 13.492 ( 4.094 0.000 3.486) 5.377 13.653 ( -2.559 0.000 -3.132) 4.045 14.255 ( 3.506 0.000 -17.899) 18.239 14.408 ( -2.395 0.000 -23.145) 23.269 19.068 ( 6.371 0.000 7.018) 9.478 19.330 ( -4.531 0.000 7.635) 8.878 19.956 ( 2.823 0.000 4.358) 5.192 20.043 ( 1.637 0.000 2.143) 2.697 20.123 ( 12.586 0.000 -2.686) 12.869 20.629 ( -11.519 0.000 4.464) 12.354 20.689 ( -10.859 0.000 3.686) 11.467 20.728 ( -13.830 0.000 -10.483) 17.354 22.170 ( 5.744 0.000 8.731) 10.451 22.339 ( -1.310 0.000 7.817) 7.926 23.144 ( 6.161 0.000 -1.411) 6.321 23.442 ( -6.103 0.000 -4.532) 7.601 ======================= Grid point 193 (65/120) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( -11.827 0.000 6.005) 13.264 3.081 ( 11.827 0.000 6.005) 13.264 3.595 ( -24.912 0.000 15.167) 29.166 3.595 ( 24.912 0.000 15.167) 29.166 4.045 ( -7.473 0.000 5.905) 9.524 4.045 ( 7.473 0.000 5.905) 9.524 4.371 ( -4.112 0.000 -6.051) 7.316 4.371 ( 4.112 0.000 -6.051) 7.316 4.781 ( -8.500 0.000 0.143) 8.501 4.781 ( 8.500 0.000 0.143) 8.501 5.123 ( -7.796 0.000 6.439) 10.111 5.123 ( 7.796 0.000 6.439) 10.111 5.929 ( -8.598 0.000 -0.855) 8.641 5.929 ( 8.598 0.000 -0.855) 8.641 6.518 ( -2.032 0.000 -13.552) 13.704 6.518 ( 2.032 0.000 -13.552) 13.704 6.717 ( -3.833 0.000 -7.803) 8.694 6.717 ( 3.833 0.000 -7.803) 8.694 6.899 ( -9.436 0.000 -7.538) 12.078 6.899 ( 9.436 0.000 -7.538) 12.078 8.316 ( -9.883 0.000 4.792) 10.984 8.316 ( 9.883 0.000 4.792) 10.984 8.447 ( -4.175 0.000 4.773) 6.342 8.447 ( 4.175 0.000 4.773) 6.342 8.604 ( -3.979 0.000 4.253) 5.824 8.604 ( 3.979 0.000 4.253) 5.824 8.993 ( -6.285 0.000 -4.328) 7.631 8.993 ( 6.285 0.000 -4.328) 7.631 9.017 ( -5.625 0.000 -10.087) 11.549 9.017 ( 5.625 0.000 -10.087) 11.549 9.602 ( -5.402 0.000 2.708) 6.043 9.602 ( 5.402 0.000 2.708) 6.043 10.547 ( -5.010 0.000 -3.989) 6.404 10.547 ( 5.010 0.000 -3.989) 6.404 10.987 ( -6.160 0.000 -1.849) 6.431 10.987 ( 6.160 0.000 -1.849) 6.431 11.498 ( -5.001 0.000 -2.234) 5.477 11.498 ( 5.001 0.000 -2.234) 5.477 12.513 ( -2.401 0.000 13.461) 13.673 12.513 ( 2.401 0.000 13.461) 13.673 12.567 ( -0.975 0.000 8.482) 8.538 12.567 ( 0.975 0.000 8.482) 8.538 13.170 ( -5.551 0.000 -2.055) 5.919 13.170 ( 5.551 0.000 -2.055) 5.919 13.582 ( -4.032 0.000 0.359) 4.048 13.582 ( 4.032 0.000 0.359) 4.048 14.337 ( -3.951 0.000 -22.413) 22.758 14.337 ( 3.951 0.000 -22.413) 22.758 19.208 ( -6.507 0.000 8.413) 10.636 19.208 ( 6.507 0.000 8.413) 10.636 20.030 ( -3.129 0.000 4.545) 5.518 20.030 ( 3.129 0.000 4.545) 5.518 20.420 ( -14.774 0.000 -7.617) 16.622 20.420 ( 14.774 0.000 -7.617) 16.622 20.530 ( -2.785 0.000 1.879) 3.360 20.530 ( 2.785 0.000 1.879) 3.360 22.280 ( -4.234 0.000 8.526) 9.519 22.280 ( 4.234 0.000 8.526) 9.519 23.291 ( -7.490 0.000 -2.864) 8.019 23.291 ( 7.490 0.000 -2.864) 8.019 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 7.563 28.973) 29.944 2.366 ( 0.000 -10.553 38.179) 39.610 3.447 ( 0.000 -14.426 -11.249) 18.293 3.661 ( 0.000 6.589 22.011) 22.976 3.986 ( 0.000 3.751 1.284) 3.965 4.012 ( 0.000 6.844 -9.219) 11.482 4.143 ( 0.000 -3.532 -0.826) 3.628 4.335 ( 0.000 -13.713 14.128) 19.689 4.543 ( 0.000 7.697 -6.875) 10.320 4.914 ( 0.000 -1.109 -10.035) 10.096 4.917 ( 0.000 -2.394 11.196) 11.450 5.322 ( 0.000 25.771 7.729) 26.905 5.341 ( 0.000 -17.225 -8.502) 19.209 6.083 ( 0.000 21.924 -1.451) 21.972 6.538 ( 0.000 13.625 -5.889) 14.844 7.172 ( 0.000 5.321 -10.145) 11.456 7.189 ( 0.000 -7.597 -0.502) 7.613 7.367 ( 0.000 0.472 -1.467) 1.541 7.529 ( 0.000 7.114 4.102) 8.212 7.622 ( 0.000 4.335 -4.425) 6.194 7.774 ( 0.000 -0.072 6.056) 6.056 7.955 ( 0.000 -3.190 -8.906) 9.460 8.175 ( 0.000 -1.833 0.707) 1.964 8.498 ( 0.000 0.806 -14.847) 14.869 8.665 ( 0.000 -9.937 -7.711) 12.578 8.677 ( 0.000 -0.445 0.626) 0.768 8.836 ( 0.000 -3.583 -8.254) 8.998 9.009 ( 0.000 -4.776 4.681) 6.687 9.176 ( 0.000 -8.798 -13.500) 16.114 9.272 ( 0.000 -5.039 4.583) 6.812 9.632 ( 0.000 3.108 6.359) 7.078 9.981 ( 0.000 0.915 9.128) 9.174 10.311 ( 0.000 -5.801 -2.263) 6.226 10.466 ( 0.000 3.362 -2.654) 4.284 10.605 ( 0.000 4.354 -3.683) 5.703 10.829 ( 0.000 -7.171 -17.357) 18.780 11.113 ( 0.000 6.113 -7.164) 9.418 11.408 ( 0.000 1.794 -18.830) 18.916 12.249 ( 0.000 -11.723 8.530) 14.498 12.296 ( 0.000 -3.610 4.631) 5.872 12.540 ( 0.000 -3.001 3.781) 4.827 12.596 ( 0.000 -0.442 3.027) 3.059 13.042 ( 0.000 4.765 6.181) 7.805 13.304 ( 0.000 -3.579 5.368) 6.452 13.586 ( 0.000 6.385 -0.265) 6.390 13.735 ( 0.000 1.716 0.318) 1.745 14.158 ( 0.000 -1.603 -7.900) 8.061 14.363 ( 0.000 -1.041 -10.413) 10.465 18.960 ( 0.000 10.925 0.723) 10.949 19.310 ( 0.000 1.160 -4.905) 5.041 19.829 ( 0.000 0.086 12.400) 12.401 20.007 ( 0.000 1.931 2.062) 2.825 20.048 ( 0.000 7.754 7.388) 10.710 21.022 ( 0.000 -7.525 6.580) 9.996 21.272 ( 0.000 2.795 -9.136) 9.554 21.531 ( 0.000 -1.262 -0.940) 1.574 22.199 ( 0.000 0.515 5.150) 5.176 22.604 ( 0.000 3.387 11.072) 11.578 22.631 ( 0.000 -5.324 -5.057) 7.343 23.330 ( 0.000 -5.875 -4.528) 7.418 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.12 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 9.604 3.524 28.722) 30.489 2.476 ( 9.633 -4.808 32.253) 34.002 3.408 ( -1.517 -13.009 -4.996) 14.018 3.769 ( 5.989 4.138 8.527) 11.212 3.975 ( -0.089 4.814 -0.938) 4.905 4.040 ( 3.512 5.011 0.282) 6.126 4.156 ( 1.099 -4.242 0.562) 4.418 4.365 ( 2.769 -8.808 9.770) 13.442 4.611 ( 5.751 3.043 -3.859) 7.565 4.829 ( -5.869 -0.740 5.653) 8.182 4.956 ( 1.123 -2.892 -3.699) 4.828 5.306 ( -2.911 -13.258 -5.871) 14.789 5.332 ( 1.494 22.167 6.044) 23.025 6.072 ( -0.770 22.001 -0.777) 22.029 6.553 ( 1.439 13.009 -7.048) 14.866 7.074 ( -8.702 -5.314 -2.177) 10.426 7.122 ( -4.890 5.134 -10.497) 12.667 7.327 ( -7.541 0.674 -5.447) 9.327 7.349 ( -8.439 6.889 0.243) 10.896 7.712 ( 4.927 1.531 2.711) 5.828 7.808 ( -5.529 -2.753 -5.070) 7.990 7.966 ( 5.717 3.454 -2.018) 6.978 8.137 ( -0.232 -5.755 2.892) 6.444 8.541 ( 2.395 -2.171 -10.098) 10.603 8.630 ( -2.511 -9.217 -2.050) 9.771 8.676 ( -0.713 -2.984 -3.798) 4.882 8.804 ( -1.597 -0.117 -5.937) 6.150 8.992 ( -1.314 -3.345 1.951) 4.089 9.180 ( -0.060 -9.808 -10.543) 14.400 9.281 ( 0.450 -4.486 0.811) 4.581 9.541 ( -6.329 4.221 7.449) 10.647 10.098 ( 8.685 1.456 6.058) 10.689 10.187 ( -10.846 -2.905 -5.046) 12.310 10.489 ( 5.216 4.387 -1.897) 7.075 10.734 ( 11.139 1.956 -2.108) 11.505 10.929 ( 3.176 -3.127 -10.598) 11.497 11.154 ( 5.303 1.252 -9.176) 10.672 11.377 ( -2.251 2.875 -16.742) 17.135 12.272 ( 1.988 -9.827 9.689) 13.943 12.310 ( 1.234 -6.505 5.259) 8.455 12.515 ( -0.993 -4.333 4.714) 6.479 12.644 ( 2.678 2.325 2.986) 4.636 13.038 ( -0.154 3.578 5.851) 6.860 13.308 ( 0.360 -3.224 4.780) 5.777 13.577 ( -0.835 7.106 -0.122) 7.155 13.730 ( -0.444 1.900 -1.643) 2.550 14.157 ( 0.177 -1.644 -8.232) 8.397 14.380 ( 1.177 -2.058 -13.309) 13.518 18.980 ( 1.890 10.302 1.589) 10.594 19.356 ( 3.782 2.115 -4.373) 6.156 19.822 ( -0.228 -0.909 11.128) 11.167 19.999 ( -0.551 2.555 2.790) 3.823 20.041 ( -0.549 6.803 5.990) 9.081 20.969 ( -4.877 -7.013 5.843) 10.349 21.200 ( -6.539 2.056 -9.214) 11.484 21.408 ( -13.083 -1.660 0.245) 13.190 22.106 ( -5.025 2.505 8.384) 10.090 22.421 ( -4.115 3.211 5.863) 7.850 22.848 ( 7.838 -4.114 0.202) 8.855 23.397 ( 4.407 -7.126 -5.443) 9.992 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.25 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 14.906 -3.289 25.973) 30.127 2.748 ( 15.849 5.972 21.020) 26.995 3.414 ( 1.190 -10.121 -2.385) 10.466 3.748 ( -5.225 -0.827 -1.201) 5.425 4.072 ( 5.546 5.678 -7.916) 11.210 4.155 ( 2.795 -1.531 10.393) 10.870 4.193 ( 6.130 -5.413 4.797) 9.481 4.452 ( 5.713 1.161 7.378) 9.403 4.649 ( -10.831 2.617 6.190) 12.747 4.749 ( 6.382 -1.470 2.621) 7.054 4.955 ( -1.386 -5.980 -5.807) 8.450 5.235 ( -3.174 -9.916 -1.294) 10.492 5.438 ( 9.438 18.593 2.792) 21.037 6.068 ( 0.814 20.493 0.523) 20.516 6.596 ( 2.359 10.753 -10.097) 14.938 6.856 ( -11.130 -4.043 -3.866) 12.457 6.986 ( -7.525 5.845 -12.055) 15.366 7.092 ( -11.348 5.463 -7.354) 14.585 7.176 ( -9.820 5.416 -4.677) 12.151 7.535 ( -16.231 -0.043 -9.661) 18.889 7.848 ( 7.344 -3.939 5.034) 9.736 8.137 ( 6.939 -1.259 2.818) 7.594 8.205 ( 6.630 -4.825 5.116) 9.665 8.555 ( -2.407 -6.077 -5.713) 8.681 8.561 ( -2.753 -11.829 3.880) 12.750 8.666 ( -0.178 -2.804 -4.076) 4.950 8.793 ( 0.553 0.376 -1.998) 2.107 8.964 ( -1.227 0.341 -4.745) 4.913 9.168 ( -0.802 -7.469 -6.119) 9.689 9.262 ( -2.690 -0.113 -7.539) 8.006 9.453 ( -0.934 2.934 10.770) 11.202 9.921 ( -11.453 -1.690 -4.485) 12.415 10.323 ( 9.886 5.173 2.966) 11.545 10.630 ( 7.230 7.192 -1.951) 10.383 10.903 ( -2.631 1.829 -3.895) 5.044 11.018 ( 12.668 -1.922 -2.437) 13.043 11.234 ( -1.328 -1.343 -10.446) 10.616 11.397 ( 5.756 1.072 -9.646) 11.283 12.324 ( 2.601 -7.784 11.158) 13.851 12.342 ( 1.582 -11.203 7.364) 13.499 12.512 ( 0.731 -3.755 5.476) 6.680 12.673 ( -0.169 5.016 5.180) 7.212 13.049 ( 1.489 1.568 4.378) 4.883 13.313 ( -0.258 -2.374 3.827) 4.510 13.558 ( -0.571 8.265 0.001) 8.285 13.718 ( -0.792 2.584 -4.172) 4.971 14.174 ( 1.553 -2.149 -11.551) 11.851 14.394 ( -0.189 -3.616 -18.332) 18.687 19.042 ( 4.008 8.999 3.563) 10.476 19.423 ( 1.172 4.609 0.207) 4.760 19.855 ( 4.356 -3.585 5.108) 7.611 19.996 ( 0.605 3.674 4.677) 5.978 20.039 ( 0.901 4.362 2.475) 5.095 20.823 ( -8.577 -5.342 3.785) 10.791 21.003 ( -13.574 0.627 -7.500) 15.520 21.028 ( -17.468 0.301 3.142) 17.751 22.099 ( 3.498 3.907 8.651) 10.117 22.385 ( -0.416 3.701 6.090) 7.139 22.977 ( 5.092 -4.969 0.095) 7.116 23.443 ( -0.772 -8.048 -5.058) 9.536 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.38 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 13.830 -2.985 17.617) 22.596 3.145 ( 20.019 7.465 14.963) 26.084 3.351 ( -7.586 1.478 -0.702) 7.761 3.727 ( 4.129 -11.036 6.291) 13.357 4.047 ( -7.796 -2.166 4.146) 9.091 4.170 ( -4.833 1.494 2.371) 5.586 4.291 ( 1.916 -3.798 -5.189) 6.710 4.435 ( -4.031 1.062 1.863) 4.566 4.636 ( 9.406 6.107 7.296) 13.379 4.888 ( 3.094 -2.881 -4.197) 5.957 4.912 ( 1.552 -2.408 6.480) 7.085 5.172 ( -3.267 -6.497 3.975) 8.288 5.724 ( 16.223 11.469 -1.656) 19.936 6.103 ( 1.634 15.936 1.482) 16.088 6.607 ( -4.124 1.108 -12.720) 13.417 6.641 ( -7.398 2.744 -9.047) 12.004 6.839 ( -5.198 5.818 -11.831) 14.172 6.887 ( -6.068 6.779 -8.164) 12.225 6.961 ( -9.012 8.398 -6.804) 14.073 7.195 ( -14.402 2.588 -7.118) 16.272 8.014 ( 8.013 -7.205 6.166) 12.415 8.231 ( 1.939 -10.773 4.428) 11.808 8.381 ( 8.421 -0.600 5.194) 9.912 8.458 ( -3.782 -8.270 1.586) 9.231 8.519 ( -2.724 -7.915 1.938) 8.592 8.641 ( -2.704 -2.949 -0.698) 4.061 8.829 ( 2.687 -4.113 -1.573) 5.158 8.936 ( -1.584 -2.527 -7.153) 7.750 9.155 ( -0.337 2.493 -4.159) 4.861 9.196 ( -2.676 6.469 -8.746) 11.203 9.482 ( 2.980 -0.483 6.714) 7.362 9.711 ( -8.231 -1.200 -2.118) 8.584 10.509 ( 7.601 7.245 0.565) 10.516 10.737 ( -0.146 11.818 -4.900) 12.794 10.871 ( 2.774 -0.980 0.664) 3.016 11.113 ( -4.571 -0.570 -8.822) 9.952 11.311 ( 9.766 -1.213 0.157) 9.842 11.500 ( 2.307 -2.190 -5.130) 6.036 12.369 ( 1.435 -7.753 9.870) 12.632 12.373 ( 1.273 -13.930 11.351) 18.014 12.542 ( 1.924 -1.087 6.265) 6.643 12.643 ( -2.286 4.570 6.964) 8.637 13.104 ( 3.558 1.148 2.769) 4.652 13.279 ( -3.129 -0.474 2.880) 4.279 13.573 ( 2.136 7.380 -0.049) 7.683 13.690 ( -1.945 3.853 -3.282) 5.422 14.224 ( 3.084 -3.023 -17.393) 17.921 14.365 ( -2.447 -4.263 -21.590) 22.142 19.146 ( 5.602 7.614 5.642) 11.009 19.385 ( -4.219 5.829 5.872) 9.288 19.978 ( 4.702 -0.230 2.213) 5.202 20.035 ( 2.599 0.285 4.020) 4.795 20.118 ( 8.412 0.707 -2.041) 8.685 20.633 ( -8.385 -0.884 2.709) 8.856 20.647 ( -14.168 -1.634 0.639) 14.276 20.756 ( -12.235 1.419 -5.446) 13.467 22.204 ( 5.583 3.668 8.182) 10.562 22.372 ( -1.424 3.556 7.320) 8.262 23.089 ( 5.787 -5.746 -0.941) 8.210 23.368 ( -5.699 -7.613 -3.543) 10.149 ======================= Grid point 202 (70/120) ======================= q-point: (-0.50 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -12.961 0.584 8.160) 15.327 3.083 ( 12.961 0.584 8.160) 15.327 3.620 ( -18.904 1.796 11.625) 22.264 3.620 ( 18.904 1.796 11.625) 22.264 3.986 ( -7.419 -4.819 4.974) 10.149 3.986 ( 7.419 -4.819 4.974) 10.149 4.374 ( -3.763 -0.735 -6.482) 7.531 4.374 ( 3.763 -0.735 -6.482) 7.531 4.804 ( -6.030 2.204 0.528) 6.442 4.804 ( 6.030 2.204 0.528) 6.442 5.070 ( -6.802 -4.374 7.512) 11.038 5.070 ( 6.802 -4.374 7.512) 11.038 6.039 ( -10.322 10.349 -0.610) 14.629 6.039 ( 10.322 10.349 -0.610) 14.629 6.530 ( -1.454 1.347 -13.286) 13.433 6.530 ( 1.454 1.347 -13.286) 13.433 6.791 ( -2.335 7.115 -9.268) 11.915 6.791 ( 2.335 7.115 -9.268) 11.915 6.961 ( -7.409 7.041 -6.535) 12.132 6.961 ( 7.409 7.041 -6.535) 12.132 8.175 ( -6.479 -10.869 6.078) 14.038 8.175 ( 6.479 -10.869 6.078) 14.038 8.452 ( -2.815 -6.920 2.314) 7.821 8.452 ( 2.815 -6.920 2.314) 7.821 8.545 ( -6.251 -1.827 3.046) 7.190 8.545 ( 6.251 -1.827 3.046) 7.190 8.890 ( -2.719 -6.725 -4.135) 8.350 8.890 ( 2.719 -6.725 -4.135) 8.350 9.159 ( -0.860 9.284 -6.645) 11.450 9.159 ( 0.860 9.284 -6.645) 11.450 9.569 ( -5.254 -1.530 1.703) 5.731 9.569 ( 5.254 -1.530 1.703) 5.731 10.651 ( -5.864 8.967 -2.071) 10.913 10.651 ( 5.864 8.967 -2.071) 10.913 10.990 ( -6.354 1.063 -3.245) 7.213 10.990 ( 6.354 1.063 -3.245) 7.213 11.474 ( -4.765 -2.617 -1.881) 5.752 11.474 ( 4.765 -2.617 -1.881) 5.752 12.386 ( -0.150 -11.290 11.064) 15.808 12.386 ( 0.150 -11.290 11.064) 15.808 12.590 ( -2.526 2.020 6.985) 7.698 12.590 ( 2.526 2.020 6.985) 7.698 13.192 ( -4.525 1.007 2.256) 5.155 13.192 ( 4.525 1.007 2.256) 5.155 13.634 ( -3.125 5.446 -1.010) 6.359 13.634 ( 3.125 5.446 -1.010) 6.359 14.298 ( -3.618 -3.894 -21.460) 22.108 14.298 ( 3.618 -3.894 -21.460) 22.108 19.272 ( -5.973 6.490 6.895) 11.196 19.272 ( 5.973 6.490 6.895) 11.196 20.048 ( -1.864 0.962 4.044) 4.556 20.048 ( 1.864 0.962 4.044) 4.556 20.368 ( -13.001 -3.307 -4.889) 14.278 20.368 ( 13.001 -3.307 -4.889) 14.278 20.566 ( -3.453 2.215 0.045) 4.103 20.566 ( 3.453 2.215 0.045) 4.103 22.312 ( -4.209 3.449 8.030) 9.701 22.312 ( 4.209 3.449 8.030) 9.701 23.227 ( -7.028 -6.659 -2.214) 9.932 23.227 ( 7.028 -6.659 -2.214) 9.932 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 0.000 -2.759 34.471) 34.582 2.299 ( 0.000 11.309 24.137) 26.655 3.137 ( 0.000 -16.369 -0.635) 16.381 3.596 ( 0.000 -15.148 14.394) 20.896 3.931 ( 0.000 -2.090 -6.733) 7.050 4.082 ( 0.000 -3.229 -3.668) 4.887 4.174 ( 0.000 10.197 -9.729) 14.094 4.425 ( 0.000 14.445 18.365) 23.365 4.612 ( 0.000 -0.515 -0.787) 0.941 4.870 ( 0.000 -1.560 -4.117) 4.403 4.908 ( 0.000 -0.399 0.308) 0.504 5.039 ( 0.000 -13.123 -7.037) 14.891 5.846 ( 0.000 28.917 7.986) 29.999 6.524 ( 0.000 24.698 -0.536) 24.704 6.858 ( 0.000 19.038 -4.711) 19.612 7.066 ( 0.000 -6.467 -2.229) 6.840 7.214 ( 0.000 -1.343 -8.509) 8.614 7.457 ( 0.000 8.377 -2.831) 8.843 7.598 ( 0.000 -0.584 8.745) 8.765 7.675 ( 0.000 -0.325 -3.614) 3.629 7.790 ( 0.000 1.541 6.230) 6.418 7.884 ( 0.000 -5.234 -0.073) 5.235 8.011 ( 0.000 -10.155 2.544) 10.468 8.322 ( 0.000 -18.654 -2.797) 18.863 8.540 ( 0.000 -3.000 -13.107) 13.447 8.695 ( 0.000 -4.980 -6.416) 8.122 8.906 ( 0.000 16.534 -12.837) 20.932 8.983 ( 0.000 -2.849 -6.631) 7.217 9.011 ( 0.000 -0.860 -5.354) 5.423 9.151 ( 0.000 -7.131 4.163) 8.257 9.613 ( 0.000 -6.676 -5.797) 8.842 10.037 ( 0.000 6.310 11.713) 13.304 10.119 ( 0.000 -15.038 -6.225) 16.276 10.563 ( 0.000 6.371 -3.541) 7.289 10.564 ( 0.000 -7.719 -3.527) 8.487 10.793 ( 0.000 1.071 -10.948) 11.000 11.237 ( 0.000 7.559 -4.781) 8.945 11.457 ( 0.000 2.985 -13.215) 13.548 12.091 ( 0.000 -4.012 7.110) 8.164 12.211 ( 0.000 -4.789 6.777) 8.299 12.446 ( 0.000 -6.537 -0.249) 6.541 12.507 ( 0.000 -7.976 4.039) 8.940 13.167 ( 0.000 7.580 3.979) 8.560 13.284 ( 0.000 0.987 1.495) 1.792 13.698 ( 0.000 5.172 0.223) 5.177 13.769 ( 0.000 1.624 1.360) 2.118 14.127 ( 0.000 -1.218 -7.033) 7.138 14.311 ( 0.000 -4.571 -7.873) 9.104 19.172 ( 0.000 9.886 -0.373) 9.893 19.333 ( 0.000 1.102 -2.427) 2.665 19.868 ( 0.000 4.167 6.145) 7.425 20.044 ( 0.000 1.457 1.360) 1.993 20.226 ( 0.000 10.902 9.158) 14.239 20.858 ( 0.000 -9.702 7.141) 12.047 21.316 ( 0.000 2.111 -8.011) 8.284 21.493 ( 0.000 -2.767 -2.265) 3.576 22.218 ( 0.000 1.609 3.803) 4.129 22.502 ( 0.000 -7.775 -3.220) 8.416 22.697 ( 0.000 6.502 8.633) 10.808 23.187 ( 0.000 -8.808 -0.977) 8.863 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.12 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 5.920 2.123 29.844) 30.500 2.489 ( 14.582 5.886 23.397) 28.190 3.141 ( 1.060 -13.600 1.062) 13.683 3.680 ( 6.849 -16.461 11.210) 21.060 3.932 ( -0.762 -0.832 -7.771) 7.853 4.090 ( 0.276 -2.699 -3.143) 4.152 4.164 ( -0.066 8.512 -6.983) 11.010 4.472 ( 4.648 12.234 15.846) 20.551 4.615 ( 0.828 -2.402 0.378) 2.569 4.859 ( -5.200 -3.430 -1.580) 6.427 4.883 ( 1.122 0.916 -3.349) 3.649 5.055 ( 1.597 -8.992 -2.994) 9.611 5.825 ( -1.405 27.336 7.805) 28.464 6.522 ( -0.376 25.347 -0.512) 25.355 6.855 ( -0.683 17.011 -6.610) 18.263 6.973 ( -7.284 -5.343 -1.203) 9.114 7.191 ( -2.619 0.650 -10.004) 10.361 7.402 ( -6.819 7.422 -3.633) 10.714 7.467 ( -6.962 4.848 0.450) 8.495 7.689 ( -1.134 -4.127 1.719) 4.612 7.786 ( -2.479 -1.348 -1.957) 3.434 7.938 ( 0.645 -8.975 5.089) 10.337 7.990 ( 3.634 -4.875 2.552) 6.594 8.309 ( -1.210 -18.452 -1.780) 18.577 8.491 ( -3.046 -4.553 -10.407) 11.761 8.680 ( -2.287 -1.436 -1.530) 3.104 8.868 ( -3.566 4.281 -6.424) 8.503 8.947 ( -3.478 -9.244 -6.741) 11.957 9.014 ( 3.058 4.950 -6.908) 9.031 9.223 ( 4.915 0.528 -2.621) 5.595 9.574 ( -3.089 -2.122 -1.610) 4.079 10.050 ( -6.553 -10.484 -6.738) 14.080 10.161 ( 10.153 3.731 8.160) 13.550 10.536 ( 5.256 0.680 -0.284) 5.308 10.753 ( 9.473 -0.877 -2.475) 9.830 10.885 ( 7.099 -1.518 -11.701) 13.770 11.224 ( -0.951 6.657 -4.498) 8.090 11.448 ( -0.528 4.182 -12.024) 12.741 12.084 ( -0.594 -7.428 7.334) 10.455 12.217 ( 0.139 -4.859 6.776) 8.340 12.406 ( -0.300 -5.973 2.542) 6.498 12.612 ( 6.416 -5.529 1.774) 8.653 13.128 ( -3.181 5.980 5.152) 8.510 13.298 ( 0.932 1.236 2.041) 2.562 13.701 ( 0.247 5.787 -0.057) 5.792 13.770 ( 0.176 2.127 -0.832) 2.291 14.125 ( -0.120 -1.390 -7.593) 7.720 14.312 ( -0.063 -5.138 -9.783) 11.050 19.182 ( 1.196 9.717 0.606) 9.809 19.397 ( 5.492 1.605 -3.369) 6.640 19.843 ( -2.168 3.495 6.399) 7.607 20.034 ( -0.716 1.072 1.197) 1.759 20.210 ( -1.406 10.525 8.269) 13.459 20.815 ( -3.978 -9.235 6.188) 11.807 21.229 ( -7.650 1.215 -7.640) 10.880 21.364 ( -12.425 -2.900 -1.192) 12.815 22.175 ( -1.400 4.897 5.683) 7.631 22.483 ( -0.565 1.637 0.897) 1.950 22.770 ( 4.451 -2.302 4.539) 6.762 23.224 ( 2.346 -10.699 -1.546) 11.062 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.25 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 13.326 2.480 24.075) 27.628 2.864 ( 19.883 4.727 17.290) 26.770 3.205 ( 5.013 -9.196 2.822) 10.847 3.762 ( -4.717 -2.102 1.311) 5.328 3.932 ( 5.732 -13.237 0.495) 14.434 4.070 ( -2.712 -3.824 -0.880) 4.770 4.208 ( 3.796 6.095 -7.303) 10.242 4.610 ( 6.797 8.049 7.429) 12.891 4.662 ( -2.658 -0.864 7.363) 7.876 4.698 ( -2.182 -6.953 -3.564) 8.112 4.904 ( 0.501 3.419 -0.529) 3.496 5.090 ( 0.989 -4.664 2.335) 5.308 5.827 ( 2.839 22.187 5.356) 23.000 6.500 ( -2.015 23.557 -0.853) 23.658 6.753 ( -8.677 -1.758 -5.845) 10.609 6.871 ( -1.920 11.543 -6.367) 13.321 7.098 ( -6.189 5.452 -11.623) 14.252 7.206 ( -9.665 7.465 -6.316) 13.749 7.314 ( -7.781 7.193 -5.527) 11.951 7.534 ( -11.588 0.872 -7.509) 13.835 7.787 ( 3.005 -3.479 6.186) 7.707 7.963 ( 1.987 -11.219 3.656) 11.966 8.106 ( 5.125 -11.053 2.602) 12.458 8.275 ( -1.736 -16.464 0.053) 16.556 8.445 ( -1.145 -3.721 -3.234) 5.061 8.619 ( -2.585 -2.590 1.952) 4.147 8.778 ( -4.220 -3.756 -2.400) 6.138 8.867 ( -3.799 -12.515 -5.006) 14.004 9.125 ( 6.399 8.603 -7.227) 12.930 9.320 ( 3.792 6.082 -7.141) 10.118 9.515 ( -1.929 2.332 3.715) 4.792 9.880 ( -8.282 -4.012 -4.979) 10.464 10.404 ( 11.391 3.676 5.839) 13.318 10.707 ( 9.039 0.707 -1.192) 9.145 10.958 ( 8.840 -4.196 -3.059) 10.253 10.993 ( 1.781 4.670 -8.231) 9.629 11.220 ( 1.162 2.290 -3.679) 4.487 11.455 ( 1.490 5.213 -8.357) 9.962 12.071 ( -0.344 -12.925 7.716) 15.057 12.209 ( -0.782 -8.249 6.425) 10.485 12.452 ( 3.979 -1.027 4.504) 6.097 12.735 ( 4.368 -0.205 1.918) 4.775 13.057 ( -2.656 1.526 6.816) 7.473 13.305 ( -0.617 -0.171 4.544) 4.589 13.707 ( 0.524 7.396 -1.379) 7.542 13.780 ( 0.733 3.878 -4.549) 6.022 14.128 ( 0.574 -2.360 -10.306) 10.588 14.300 ( -1.156 -6.117 -13.803) 15.141 19.230 ( 3.350 9.925 2.241) 10.712 19.529 ( 5.213 4.836 -3.894) 8.107 19.801 ( -0.358 -0.915 6.065) 6.145 20.024 ( -0.089 -0.362 1.023) 1.089 20.181 ( -0.792 9.567 5.901) 11.268 20.701 ( -6.305 -7.414 3.900) 10.485 21.009 ( -15.027 0.065 -4.562) 15.705 21.029 ( -14.502 -0.308 -0.335) 14.509 22.207 ( 3.846 7.500 6.392) 10.578 22.483 ( 0.248 6.193 3.702) 7.220 22.853 ( 3.619 -7.404 2.228) 8.538 23.242 ( -1.190 -12.713 -1.617) 12.871 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.38 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 15.893 2.891 17.253) 23.635 3.286 ( 11.360 7.560 11.792) 18.035 3.319 ( 9.535 -7.463 3.406) 12.578 3.597 ( -5.535 -0.573 4.765) 7.326 3.962 ( -5.512 -6.902 2.612) 9.210 4.100 ( 4.483 -8.750 -2.264) 10.089 4.257 ( -1.175 1.976 -4.050) 4.657 4.418 ( -9.099 -1.613 -1.821) 9.419 4.762 ( 6.009 2.583 1.762) 6.773 4.841 ( 6.769 -3.290 2.767) 8.018 4.905 ( 0.550 4.730 5.518) 7.288 5.077 ( -2.215 -2.803 6.128) 7.093 5.981 ( 11.501 15.026 0.558) 18.930 6.422 ( -5.272 13.370 -2.264) 14.549 6.591 ( -5.776 1.533 -6.190) 8.604 6.770 ( -9.991 6.961 -13.347) 18.067 6.951 ( -3.965 6.938 -14.278) 16.362 7.062 ( -4.497 11.647 -7.053) 14.339 7.172 ( -4.315 12.617 -6.378) 14.781 7.300 ( -9.061 9.604 -4.707) 14.018 7.870 ( 4.297 -8.536 6.289) 11.441 7.989 ( -0.090 -13.744 2.756) 14.018 8.185 ( 2.303 -16.239 0.570) 16.411 8.248 ( -0.797 -14.050 1.065) 14.112 8.448 ( 1.654 -1.618 3.033) 3.814 8.575 ( -2.168 -3.862 2.705) 5.190 8.712 ( -1.444 -7.872 -0.370) 8.012 8.788 ( -3.537 -11.881 -1.877) 12.538 9.257 ( 5.516 9.936 -5.310) 12.544 9.370 ( 0.630 9.682 -7.209) 12.087 9.510 ( 1.784 2.769 3.929) 5.127 9.716 ( -7.037 0.515 -3.273) 7.778 10.620 ( 8.913 4.305 3.401) 10.467 10.861 ( 2.808 0.215 -0.502) 2.861 10.970 ( 0.157 9.269 -6.176) 11.140 11.089 ( 1.341 -2.526 -8.497) 8.965 11.292 ( 6.049 0.924 1.591) 6.323 11.484 ( -0.059 2.607 -3.551) 4.406 12.084 ( 1.689 -15.945 7.590) 17.740 12.184 ( -1.690 -11.767 6.709) 13.651 12.553 ( 5.256 3.280 5.418) 8.231 12.757 ( -2.501 7.138 4.180) 8.641 13.060 ( 3.319 -5.043 6.714) 9.029 13.261 ( -3.591 -2.664 6.874) 8.200 13.731 ( 1.703 8.830 -3.250) 9.562 13.790 ( -0.088 6.464 -5.070) 8.215 14.153 ( 1.824 -4.254 -15.042) 15.738 14.261 ( -2.457 -6.537 -17.317) 18.673 19.320 ( 4.979 10.226 3.491) 11.897 19.539 ( -3.646 10.020 1.598) 10.781 19.890 ( 7.299 -7.446 0.752) 10.454 20.028 ( 0.202 -2.940 1.510) 3.311 20.204 ( 3.788 7.841 2.378) 9.027 20.574 ( -5.210 -3.675 0.808) 6.427 20.664 ( -14.087 1.752 1.633) 14.289 20.768 ( -11.421 -0.256 -3.540) 11.960 22.309 ( 5.282 7.601 6.507) 11.315 22.474 ( -1.500 7.363 5.822) 9.506 22.938 ( 4.685 -9.879 0.491) 10.945 23.173 ( -4.884 -12.601 -1.030) 13.554 ======================= Grid point 211 (75/120) ======================= q-point: (-0.50 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( -14.312 4.032 10.171) 18.015 3.122 ( 14.312 4.032 10.171) 18.015 3.595 ( -2.872 -5.990 6.723) 9.451 3.595 ( 2.872 -5.990 6.723) 9.451 3.945 ( -9.128 2.092 3.665) 10.056 3.945 ( 9.128 2.092 3.665) 10.056 4.316 ( -4.625 -5.445 -5.766) 9.180 4.316 ( 4.625 -5.445 -5.766) 9.180 4.853 ( -2.505 2.895 1.253) 4.028 4.853 ( 2.505 2.895 1.253) 4.028 5.002 ( -4.914 -2.551 7.332) 9.187 5.002 ( 4.914 -2.551 7.332) 9.187 6.256 ( -11.786 11.486 -1.510) 16.526 6.256 ( 11.786 11.486 -1.510) 16.526 6.559 ( -4.966 1.028 -12.589) 13.572 6.559 ( 4.966 1.028 -12.589) 13.572 6.965 ( -3.831 11.865 -11.663) 17.072 6.965 ( 3.831 11.865 -11.663) 17.072 7.169 ( -3.395 14.421 -3.554) 15.236 7.169 ( 3.395 14.421 -3.554) 15.236 7.953 ( -3.112 -12.668 4.295) 13.733 7.953 ( 3.112 -12.668 4.295) 13.733 8.224 ( -1.592 -15.147 0.568) 15.241 8.224 ( 1.592 -15.147 0.568) 15.241 8.510 ( -3.622 -2.641 3.976) 5.992 8.510 ( 3.622 -2.641 3.976) 5.992 8.724 ( -2.225 -10.399 0.041) 10.634 8.724 ( 2.225 -10.399 0.041) 10.634 9.346 ( -2.755 10.357 -4.389) 11.581 9.346 ( 2.755 10.357 -4.389) 11.581 9.586 ( -5.064 2.531 -0.954) 5.741 9.586 ( 5.064 2.531 -0.954) 5.741 10.786 ( -6.633 4.479 0.765) 8.040 10.786 ( 6.633 4.479 0.765) 8.040 11.049 ( -4.094 3.372 -6.764) 8.595 11.049 ( 4.094 3.372 -6.764) 8.595 11.426 ( -5.224 -0.022 0.243) 5.230 11.426 ( 5.224 -0.022 0.243) 5.230 12.136 ( -2.738 -14.755 7.146) 16.622 12.136 ( 2.738 -14.755 7.146) 16.622 12.666 ( -5.229 6.525 5.481) 9.998 12.666 ( 5.229 6.525 5.481) 9.998 13.162 ( -5.332 -4.703 6.952) 9.943 13.162 ( 5.332 -4.703 6.952) 9.943 13.770 ( -1.667 8.485 -4.070) 9.557 13.770 ( 1.667 8.485 -4.070) 9.557 14.203 ( -2.759 -5.936 -18.154) 19.298 14.203 ( 2.759 -5.936 -18.154) 19.298 19.434 ( -5.529 10.304 3.688) 12.261 19.434 ( 5.529 10.304 3.688) 12.261 20.009 ( -2.868 -5.962 1.035) 6.697 20.009 ( 2.868 -5.962 1.035) 6.697 20.365 ( -11.013 3.592 -0.833) 11.615 20.365 ( 11.013 3.592 -0.833) 11.615 20.587 ( -4.382 -0.244 -0.110) 4.390 20.587 ( 4.382 -0.244 -0.110) 4.390 22.413 ( -4.152 7.416 6.592) 10.756 22.413 ( 4.152 7.416 6.592) 10.756 23.054 ( -5.929 -11.398 -0.472) 12.857 23.054 ( 5.929 -11.398 -0.472) 12.857 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 0.000 7.773 23.191) 24.458 2.422 ( 0.000 -2.457 15.966) 16.154 2.975 ( 0.000 4.000 15.257) 15.773 3.238 ( 0.000 -19.539 17.901) 26.499 3.955 ( 0.000 2.973 -8.616) 9.114 4.018 ( 0.000 -3.522 -6.593) 7.475 4.389 ( 0.000 12.079 -6.837) 13.880 4.564 ( 0.000 -4.781 -0.470) 4.804 4.610 ( 0.000 4.789 -3.304) 5.818 4.732 ( 0.000 -11.303 -11.612) 16.205 4.907 ( 0.000 4.903 9.418) 10.618 4.972 ( 0.000 -1.105 6.018) 6.119 6.389 ( 0.000 28.436 8.139) 29.578 6.851 ( 0.000 -17.479 3.620) 17.850 6.963 ( 0.000 17.398 -3.300) 17.708 7.155 ( 0.000 -5.002 -7.614) 9.110 7.202 ( 0.000 17.602 -4.254) 18.109 7.537 ( 0.000 -12.653 2.819) 12.963 7.557 ( 0.000 1.144 10.390) 10.453 7.595 ( 0.000 0.304 -3.041) 3.056 7.785 ( 0.000 -1.597 5.279) 5.515 7.791 ( 0.000 -2.666 4.104) 4.894 7.935 ( 0.000 0.132 -5.469) 5.471 8.020 ( 0.000 -10.468 -4.789) 11.512 8.495 ( 0.000 0.456 -6.667) 6.682 8.573 ( 0.000 -6.558 -5.060) 8.283 8.926 ( 0.000 1.138 1.047) 1.546 9.008 ( 0.000 -6.491 3.166) 7.221 9.159 ( 0.000 11.260 -15.168) 18.891 9.289 ( 0.000 15.395 -14.448) 21.113 9.438 ( 0.000 -4.893 -14.504) 15.307 9.765 ( 0.000 -21.718 -12.363) 24.990 10.200 ( 0.000 10.162 9.828) 14.137 10.393 ( 0.000 -10.026 4.042) 10.810 10.682 ( 0.000 5.927 -4.566) 7.482 10.773 ( 0.000 -3.355 -6.635) 7.435 11.388 ( 0.000 7.628 -5.746) 9.550 11.481 ( 0.000 -1.571 -9.037) 9.172 12.094 ( 0.000 3.122 4.089) 5.145 12.145 ( 0.000 -2.071 7.414) 7.697 12.329 ( 0.000 -4.451 -0.418) 4.470 12.353 ( 0.000 -6.718 4.245) 7.947 13.283 ( 0.000 3.946 0.993) 4.069 13.308 ( 0.000 0.748 -0.017) 0.748 13.772 ( 0.000 2.552 0.307) 2.571 13.790 ( 0.000 0.415 1.175) 1.247 14.131 ( 0.000 2.086 -5.602) 5.978 14.208 ( 0.000 -5.630 -5.590) 7.934 19.302 ( 0.000 4.108 0.766) 4.179 19.341 ( 0.000 -0.514 0.004) 0.514 19.966 ( 0.000 5.398 1.546) 5.615 20.041 ( 0.000 -2.116 0.630) 2.208 20.444 ( 0.000 11.931 9.375) 15.174 20.662 ( 0.000 -11.176 8.673) 14.147 21.363 ( 0.000 3.109 -6.872) 7.542 21.430 ( 0.000 -3.789 -4.540) 5.914 22.267 ( 0.000 3.764 1.759) 4.154 22.363 ( 0.000 -6.550 -0.760) 6.594 22.841 ( 0.000 8.662 5.573) 10.300 23.013 ( 0.000 -9.476 2.404) 9.776 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.12 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 7.572 8.713 21.183) 24.124 2.531 ( 9.592 -5.675 14.648) 18.406 3.039 ( 6.082 6.660 14.239) 16.856 3.315 ( 7.011 -19.357 15.453) 25.742 3.966 ( 0.113 2.978 -8.089) 8.620 4.028 ( 0.259 -3.483 -5.560) 6.566 4.358 ( -2.006 11.199 -5.547) 12.657 4.537 ( -1.357 -5.985 0.047) 6.137 4.624 ( 1.300 3.098 -4.108) 5.307 4.704 ( -2.485 -7.745 -9.101) 12.206 4.949 ( 3.028 4.182 8.707) 10.123 4.999 ( 2.259 -0.768 5.489) 5.985 6.340 ( -4.195 26.828 8.573) 28.475 6.768 ( -7.459 -16.269 4.011) 18.341 6.977 ( 0.990 18.345 -3.475) 18.698 7.110 ( -3.058 3.341 -7.879) 9.088 7.222 ( 0.752 8.387 -6.449) 10.607 7.478 ( -4.894 -8.777 0.332) 10.055 7.510 ( -5.090 4.707 4.414) 8.218 7.600 ( -0.028 -2.736 -0.449) 2.773 7.739 ( -2.145 -0.453 0.541) 2.259 7.798 ( -0.492 -7.761 1.564) 7.932 7.913 ( -1.666 0.223 -2.328) 2.871 8.017 ( -0.418 -10.961 -2.510) 11.253 8.460 ( -1.908 2.657 -5.605) 6.490 8.583 ( 0.152 -8.476 -2.710) 8.900 8.809 ( -9.018 -0.018 -0.793) 9.053 8.869 ( -8.922 -4.438 0.555) 9.981 9.242 ( 5.518 12.761 -13.661) 19.491 9.365 ( 5.352 11.275 -10.787) 16.496 9.476 ( 2.355 -3.928 -8.413) 9.579 9.755 ( -0.956 -19.132 -9.865) 21.546 10.297 ( 8.313 9.470 8.701) 15.313 10.471 ( 6.860 -7.738 4.860) 11.427 10.766 ( 6.791 3.045 -4.994) 8.963 10.837 ( 5.665 -3.718 -7.633) 10.207 11.380 ( -0.602 8.616 -4.976) 9.967 11.488 ( 0.792 -1.575 -8.293) 8.478 12.020 ( -4.908 1.149 4.862) 7.003 12.110 ( -3.669 -6.699 4.878) 9.063 12.363 ( 5.259 2.616 3.200) 6.689 12.475 ( 7.631 -7.884 2.741) 11.310 13.241 ( -3.421 5.322 2.389) 6.763 13.306 ( -0.875 -1.321 1.242) 2.013 13.785 ( 1.196 2.888 -0.861) 3.242 13.802 ( 1.209 0.891 -1.179) 1.910 14.125 ( -0.549 1.957 -6.199) 6.524 14.203 ( -0.576 -5.793 -6.676) 8.858 19.323 ( 2.270 5.538 1.080) 6.082 19.395 ( 4.636 -2.038 -0.415) 5.081 19.939 ( -2.487 5.710 1.620) 6.436 20.022 ( -1.631 -2.637 0.492) 3.139 20.419 ( -2.116 11.456 8.389) 14.356 20.628 ( -3.036 -10.650 7.617) 13.441 21.257 ( -9.162 2.009 -6.090) 11.183 21.306 ( -10.996 -3.098 -3.576) 11.971 22.288 ( 2.577 7.046 2.378) 7.870 22.425 ( 4.605 -6.761 -0.845) 8.224 22.830 ( -1.035 7.975 5.794) 9.912 23.016 ( -0.113 -11.026 2.312) 11.267 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.25 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 13.454 9.413 17.215) 23.790 2.795 ( 14.464 -10.849 11.404) 21.377 3.229 ( 11.393 11.146 11.643) 19.738 3.510 ( 10.096 -17.312 10.565) 22.655 3.909 ( -5.434 4.045 -4.463) 8.113 3.992 ( -3.969 -4.395 -2.983) 6.631 4.347 ( 0.803 8.589 -6.274) 10.667 4.524 ( -2.413 -9.983 -4.349) 11.153 4.655 ( 1.047 0.512 0.219) 1.186 4.671 ( 2.926 -0.353 -2.910) 4.142 5.003 ( 1.739 4.554 7.042) 8.564 5.049 ( 1.846 -1.012 5.301) 5.704 6.247 ( -3.297 21.565 6.896) 22.879 6.578 ( -9.059 -12.221 1.991) 15.343 6.947 ( -6.220 14.861 -4.228) 16.656 7.040 ( -3.895 3.790 -9.774) 11.183 7.199 ( -3.988 7.338 -10.056) 13.072 7.345 ( -4.350 3.440 -2.997) 6.304 7.405 ( -3.430 4.808 -5.200) 7.869 7.567 ( -3.410 -3.140 -5.298) 7.040 7.711 ( -0.502 -0.174 2.037) 2.106 7.782 ( -0.749 -8.942 -0.368) 8.981 7.891 ( -0.061 -3.949 1.830) 4.353 7.995 ( -1.641 -13.241 -0.383) 13.348 8.437 ( -0.411 3.473 -0.674) 3.562 8.575 ( -0.838 -7.757 1.365) 7.920 8.628 ( -6.811 -2.194 -0.524) 7.174 8.696 ( -6.722 -5.976 1.198) 9.074 9.365 ( 5.702 12.639 -9.746) 16.949 9.465 ( 3.705 7.889 -7.387) 11.425 9.517 ( 1.643 -0.387 -2.168) 2.748 9.725 ( -1.888 -12.502 -5.776) 13.901 10.505 ( 10.266 7.535 5.990) 14.073 10.654 ( 9.556 -6.696 2.529) 11.940 10.913 ( 5.850 0.909 -4.695) 7.556 10.974 ( 5.893 -4.287 -7.892) 10.742 11.376 ( 0.813 11.366 -2.223) 11.610 11.526 ( 3.055 -1.436 -5.887) 6.786 11.911 ( -5.128 -1.167 5.241) 7.425 12.028 ( -3.846 -10.112 3.748) 11.450 12.505 ( 7.491 6.259 4.625) 10.802 12.648 ( 8.380 -7.684 3.498) 11.895 13.145 ( -5.486 6.702 4.948) 9.975 13.261 ( -3.443 -4.763 4.287) 7.274 13.822 ( 2.377 4.287 -3.913) 6.272 13.844 ( 2.722 2.006 -5.787) 6.703 14.107 ( -1.106 0.974 -7.923) 8.059 14.180 ( -1.637 -6.083 -9.193) 11.144 19.399 ( 4.747 8.109 1.474) 9.512 19.526 ( 7.440 -4.744 -1.165) 8.900 19.866 ( -4.167 6.602 1.802) 8.012 19.979 ( -2.287 -4.500 0.126) 5.049 20.370 ( -1.988 10.111 6.024) 11.937 20.549 ( -3.911 -8.842 5.188) 10.972 21.010 ( -14.090 0.245 -3.825) 14.603 21.019 ( -13.806 -0.610 -2.160) 13.988 22.371 ( 4.893 9.669 3.113) 11.275 22.531 ( 5.054 -4.748 -0.110) 6.935 22.798 ( -1.972 5.336 5.784) 8.113 22.993 ( -2.200 -13.012 2.295) 13.395 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.38 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 16.011 9.155 13.120) 22.634 3.115 ( 15.077 -12.149 8.184) 21.021 3.441 ( 2.968 9.136 9.418) 13.453 3.596 ( -4.354 -4.665 6.143) 8.858 3.854 ( 1.919 0.039 0.632) 2.020 3.950 ( 6.066 -7.353 -1.653) 9.674 4.312 ( -6.879 3.522 -4.171) 8.782 4.376 ( -8.716 -2.960 -4.127) 10.087 4.767 ( 6.480 -0.140 0.855) 6.537 4.783 ( 8.304 -2.130 2.886) 9.046 5.009 ( -1.790 4.166 4.404) 6.321 5.052 ( -2.005 -0.945 5.565) 5.990 6.255 ( 4.891 13.214 0.676) 14.106 6.443 ( -2.328 -6.327 -3.347) 7.527 6.728 ( -12.645 7.480 -8.332) 16.890 6.820 ( -14.867 -2.066 -12.437) 19.493 7.179 ( 2.227 16.760 -9.531) 19.408 7.300 ( -2.276 12.774 -8.624) 15.580 7.380 ( 1.050 4.388 -3.932) 5.985 7.483 ( -3.711 3.070 -5.522) 7.327 7.715 ( 0.715 -2.531 2.432) 3.582 7.763 ( -1.117 -6.420 -0.313) 6.524 7.901 ( 0.635 -12.293 1.598) 12.413 7.954 ( -1.961 -15.936 0.145) 16.057 8.442 ( 1.008 2.129 4.092) 4.721 8.531 ( -2.573 -0.233 4.494) 5.184 8.551 ( -1.297 -8.623 2.497) 9.070 8.593 ( -3.115 -6.609 3.643) 8.164 9.471 ( 3.982 10.240 -5.897) 12.470 9.518 ( 1.281 5.388 -4.662) 7.239 9.555 ( 2.083 1.994 -0.840) 3.004 9.674 ( -2.835 -5.822 -3.675) 7.446 10.710 ( 8.829 6.400 2.259) 11.136 10.844 ( 7.577 -5.150 -0.897) 9.206 10.972 ( -0.494 0.054 -4.702) 4.728 11.045 ( 0.498 -4.813 -6.578) 8.166 11.440 ( 5.217 13.421 1.393) 14.466 11.603 ( 2.680 4.648 -2.322) 5.846 11.817 ( -2.703 -8.370 5.510) 10.379 11.944 ( -4.245 -13.154 3.490) 14.256 12.669 ( 7.833 8.483 5.604) 12.834 12.820 ( 7.344 -4.699 4.608) 9.861 13.017 ( -5.976 4.888 6.919) 10.367 13.161 ( -5.874 -7.657 6.598) 11.690 13.882 ( 3.034 6.458 -6.785) 9.846 13.908 ( 2.807 4.701 -8.500) 10.111 14.081 ( -1.194 -2.380 -10.469) 10.802 14.133 ( -2.666 -6.568 -11.796) 13.762 19.516 ( 5.941 10.467 1.563) 12.137 19.687 ( 6.092 -3.261 -2.360) 7.302 19.775 ( -3.288 3.859 2.664) 5.728 19.927 ( -2.808 -7.610 -0.185) 8.113 20.361 ( 1.803 8.091 3.319) 8.930 20.491 ( -0.795 -5.569 2.554) 6.178 20.705 ( -13.251 2.479 -0.330) 13.485 20.747 ( -11.749 -1.821 -1.972) 12.052 22.483 ( 5.378 10.522 3.855) 12.430 22.622 ( 2.363 3.915 2.151) 5.054 22.760 ( -0.436 -4.321 4.076) 5.956 22.922 ( -4.363 -13.403 2.167) 14.261 ======================= Grid point 220 (80/120) ======================= q-point: (-0.50 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( -14.007 8.498 9.086) 18.734 3.240 ( 14.007 8.498 9.086) 18.734 3.425 ( -11.531 -10.547 6.842) 17.059 3.425 ( 11.531 -10.547 6.842) 17.059 4.043 ( -12.359 7.168 0.680) 14.303 4.043 ( 12.359 7.168 0.680) 14.303 4.187 ( -9.456 -7.745 -2.655) 12.508 4.187 ( 9.456 -7.745 -2.655) 12.508 4.910 ( -5.479 3.027 2.518) 6.747 4.910 ( 5.479 3.027 2.518) 6.747 4.961 ( -5.787 -2.318 4.660) 7.784 4.961 ( 5.787 -2.318 4.660) 7.784 6.438 ( -8.999 7.688 -5.909) 13.229 6.438 ( 8.999 7.688 -5.909) 13.229 6.541 ( -6.739 -3.213 -10.376) 12.783 6.541 ( 6.739 -3.213 -10.376) 12.783 7.241 ( -3.068 16.430 -9.282) 19.118 7.241 ( 3.068 16.430 -9.282) 19.118 7.419 ( -2.375 6.117 -3.946) 7.657 7.419 ( 2.375 6.117 -3.946) 7.657 7.737 ( -1.241 -5.056 0.558) 5.236 7.737 ( 1.241 -5.056 0.558) 5.236 7.919 ( -1.250 -16.447 0.700) 16.510 7.919 ( 1.250 -16.447 0.700) 16.510 8.480 ( -2.391 0.441 5.736) 6.230 8.480 ( 2.391 0.441 5.736) 6.230 8.550 ( -1.169 -7.059 4.478) 8.441 8.550 ( 1.169 -7.059 4.478) 8.441 9.523 ( -0.890 7.699 -3.373) 8.452 9.523 ( 0.890 7.699 -3.373) 8.452 9.609 ( -3.052 -1.245 -2.738) 4.285 9.609 ( 3.052 -1.245 -2.738) 4.285 10.869 ( -5.595 5.711 -1.142) 8.077 10.869 ( 5.595 5.711 -1.142) 8.077 11.002 ( -4.036 -7.220 -4.821) 9.574 11.002 ( 4.036 -7.220 -4.821) 9.574 11.565 ( -5.433 13.386 1.731) 14.550 11.565 ( 5.433 13.386 1.731) 14.550 11.847 ( -4.382 -15.704 3.743) 16.728 11.847 ( 4.382 -15.704 3.743) 16.728 12.829 ( -6.643 10.237 5.837) 13.528 12.829 ( 6.643 10.237 5.837) 13.528 13.022 ( -6.533 -9.632 7.208) 13.690 13.022 ( 6.533 -9.632 7.208) 13.690 13.933 ( -1.020 8.475 -7.896) 11.628 13.933 ( 1.020 8.475 -7.896) 11.628 14.080 ( -1.659 -7.198 -12.929) 14.891 14.080 ( 1.659 -7.198 -12.929) 14.891 19.641 ( -5.583 11.383 0.980) 12.716 19.641 ( 5.583 11.383 0.980) 12.716 19.848 ( -4.941 -10.352 -0.191) 11.472 19.848 ( 4.941 -10.352 -0.191) 11.472 20.464 ( -7.569 5.714 0.831) 9.519 20.464 ( 7.569 5.714 0.831) 9.519 20.553 ( -5.512 -3.407 0.496) 6.499 20.553 ( 5.512 -3.407 0.496) 6.499 22.589 ( -4.238 11.194 4.416) 12.758 22.589 ( 4.238 11.194 4.416) 12.758 22.820 ( -4.825 -12.954 1.901) 13.954 22.820 ( 4.825 -12.954 1.901) 13.954 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 0.000 0.000 27.071) 27.071 3.107 ( 0.000 0.000 22.544) 22.544 3.372 ( 0.000 0.000 -6.527) 6.527 3.526 ( 0.000 0.000 -18.112) 18.112 3.789 ( 0.000 0.000 -3.177) 3.177 4.144 ( 0.000 0.000 -7.119) 7.119 4.300 ( 0.000 0.000 -3.382) 3.382 4.356 ( 0.000 0.000 13.352) 13.352 4.644 ( 0.000 0.000 9.742) 9.742 5.047 ( 0.000 0.000 15.652) 15.652 5.113 ( 0.000 0.000 8.455) 8.455 5.189 ( 0.000 0.000 5.409) 5.409 5.410 ( 0.000 0.000 -10.239) 10.239 5.638 ( 0.000 0.000 -11.376) 11.376 6.407 ( 0.000 0.000 7.461) 7.461 6.885 ( 0.000 0.000 -12.425) 12.425 7.298 ( 0.000 0.000 -2.366) 2.366 7.347 ( 0.000 0.000 -2.540) 2.540 7.450 ( 0.000 0.000 1.314) 1.314 7.476 ( 0.000 0.000 -4.026) 4.026 7.799 ( 0.000 0.000 -1.763) 1.763 7.904 ( 0.000 0.000 6.998) 6.998 8.134 ( 0.000 0.000 -2.531) 2.531 8.153 ( 0.000 0.000 -14.708) 14.708 8.648 ( 0.000 0.000 -5.488) 5.488 8.679 ( 0.000 0.000 -8.365) 8.365 8.842 ( 0.000 0.000 3.721) 3.721 9.011 ( 0.000 0.000 -8.764) 8.764 9.186 ( 0.000 0.000 5.322) 5.322 9.352 ( 0.000 0.000 -1.841) 1.841 9.849 ( 0.000 0.000 15.030) 15.030 10.126 ( 0.000 0.000 7.020) 7.020 10.309 ( 0.000 0.000 -2.832) 2.832 10.426 ( 0.000 0.000 -8.899) 8.899 10.442 ( 0.000 0.000 1.663) 1.663 10.641 ( 0.000 0.000 -12.712) 12.712 10.884 ( 0.000 0.000 -3.770) 3.770 11.032 ( 0.000 0.000 -13.362) 13.362 12.401 ( 0.000 0.000 3.259) 3.259 12.466 ( 0.000 0.000 0.598) 0.598 12.654 ( 0.000 0.000 3.713) 3.713 12.665 ( 0.000 0.000 3.201) 3.201 13.138 ( 0.000 0.000 7.260) 7.260 13.403 ( 0.000 0.000 -5.540) 5.540 13.580 ( 0.000 0.000 10.133) 10.133 13.748 ( 0.000 0.000 3.431) 3.431 14.009 ( 0.000 0.000 -8.109) 8.109 14.136 ( 0.000 0.000 -11.376) 11.376 18.924 ( 0.000 0.000 5.129) 5.129 19.171 ( 0.000 0.000 -6.636) 6.636 20.019 ( 0.000 0.000 2.023) 2.023 20.026 ( 0.000 0.000 1.468) 1.468 20.206 ( 0.000 0.000 18.628) 18.628 20.923 ( 0.000 0.000 -16.637) 16.637 21.304 ( 0.000 0.000 8.433) 8.433 21.516 ( 0.000 0.000 -2.360) 2.360 22.313 ( 0.000 0.000 6.065) 6.065 22.562 ( 0.000 0.000 -6.353) 6.353 22.815 ( 0.000 0.000 12.127) 12.127 23.239 ( 0.000 0.000 -8.666) 8.666 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 9.365 0.000 25.631) 27.288 3.070 ( -2.639 0.000 17.431) 17.630 3.389 ( 0.407 0.000 -6.266) 6.280 3.582 ( 5.202 0.000 -17.357) 18.119 3.806 ( 2.268 0.000 1.405) 2.668 4.184 ( 3.306 0.000 -5.446) 6.371 4.335 ( 2.893 0.000 -3.895) 4.852 4.413 ( 4.893 0.000 8.642) 9.931 4.627 ( -1.633 0.000 10.862) 10.984 5.107 ( -0.244 0.000 10.288) 10.291 5.120 ( 6.745 0.000 13.937) 15.484 5.145 ( -4.834 0.000 3.556) 6.002 5.381 ( -1.801 0.000 -6.040) 6.303 5.679 ( 3.748 0.000 -10.421) 11.075 6.392 ( -1.298 0.000 5.650) 5.797 6.827 ( -5.335 0.000 -12.272) 13.381 7.127 ( -13.279 0.000 -2.723) 13.556 7.221 ( -12.155 0.000 1.765) 12.282 7.239 ( -9.799 0.000 -5.737) 11.355 7.546 ( -5.998 0.000 -14.372) 15.573 7.810 ( 5.818 0.000 7.734) 9.678 8.018 ( 8.720 0.000 6.617) 10.946 8.188 ( 4.848 0.000 -1.204) 4.995 8.232 ( 6.044 0.000 -13.550) 14.837 8.633 ( -0.305 0.000 -4.515) 4.526 8.703 ( 1.725 0.000 -5.038) 5.325 8.835 ( -0.450 0.000 4.074) 4.099 9.038 ( 1.552 0.000 -9.802) 9.924 9.129 ( -5.349 0.000 4.741) 7.147 9.303 ( -4.896 0.000 -3.456) 5.993 9.738 ( -6.653 0.000 12.590) 14.240 10.125 ( -14.063 0.000 -6.193) 15.366 10.188 ( 5.136 0.000 6.146) 8.010 10.369 ( 4.902 0.000 -2.952) 5.722 10.709 ( 15.514 0.000 0.717) 15.530 10.872 ( -0.965 0.000 -2.933) 3.087 10.902 ( 16.263 0.000 -10.089) 19.138 11.021 ( -0.921 0.000 -12.378) 12.412 12.436 ( 3.329 0.000 4.505) 5.602 12.532 ( 5.568 0.000 0.650) 5.606 12.653 ( 0.131 0.000 4.082) 4.084 12.679 ( 1.079 0.000 3.052) 3.237 13.124 ( -1.177 0.000 6.752) 6.854 13.379 ( -2.218 0.000 -5.437) 5.872 13.553 ( -2.361 0.000 7.795) 8.145 13.725 ( -2.060 0.000 3.389) 3.966 14.000 ( -0.688 0.000 -8.685) 8.712 14.135 ( -0.244 0.000 -11.088) 11.090 18.961 ( 3.515 0.000 5.637) 6.643 19.220 ( 4.392 0.000 -6.549) 7.885 20.001 ( -1.144 0.000 2.221) 2.498 20.023 ( -0.284 0.000 1.095) 1.131 20.180 ( -2.220 0.000 17.602) 17.742 20.870 ( -4.903 0.000 -16.137) 16.865 21.220 ( -7.821 0.000 7.445) 10.798 21.410 ( -10.669 0.000 -2.023) 10.859 22.251 ( -3.656 0.000 7.635) 8.465 22.460 ( -4.008 0.000 -0.769) 4.081 22.944 ( 7.104 0.000 6.589) 9.689 23.305 ( 4.624 0.000 -8.970) 10.092 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 16.866 0.000 21.816) 27.575 3.027 ( -0.951 0.000 11.073) 11.114 3.353 ( -3.826 0.000 -8.308) 9.146 3.738 ( 9.071 0.000 -15.017) 17.544 3.903 ( 6.642 0.000 9.396) 11.506 4.257 ( 2.892 0.000 -1.448) 3.234 4.389 ( 0.837 0.000 -4.555) 4.631 4.506 ( 0.366 0.000 -8.542) 8.550 4.598 ( 1.219 0.000 18.250) 18.291 4.974 ( -10.016 0.000 0.107) 10.017 5.123 ( 2.465 0.000 15.244) 15.442 5.325 ( 12.219 0.000 9.608) 15.544 5.370 ( 0.809 0.000 2.854) 2.966 5.794 ( 7.024 0.000 -7.553) 10.315 6.356 ( -2.198 0.000 -0.079) 2.200 6.669 ( -9.094 0.000 -11.844) 14.933 6.819 ( -14.354 0.000 -5.439) 15.350 6.959 ( -12.089 0.000 1.989) 12.251 6.978 ( -13.744 0.000 -9.807) 16.884 7.306 ( -14.041 0.000 -12.789) 18.992 7.995 ( 9.773 0.000 6.884) 11.954 8.222 ( 9.986 0.000 6.418) 11.870 8.324 ( 7.639 0.000 1.118) 7.721 8.372 ( 6.724 0.000 -11.405) 13.240 8.645 ( 0.993 0.000 -0.449) 1.090 8.751 ( 2.846 0.000 -2.629) 3.874 8.821 ( -1.077 0.000 4.145) 4.283 8.966 ( -9.423 0.000 2.964) 9.878 9.045 ( -1.156 0.000 -9.211) 9.284 9.150 ( -8.720 0.000 -6.154) 10.673 9.650 ( -1.713 0.000 9.254) 9.411 9.881 ( -8.694 0.000 -3.172) 9.254 10.308 ( 5.450 0.000 3.824) 6.658 10.474 ( 3.983 0.000 -4.044) 5.676 10.860 ( 0.239 0.000 -0.795) 0.830 11.001 ( -0.860 0.000 -9.561) 9.599 11.049 ( 15.295 0.000 1.673) 15.386 11.220 ( 12.941 0.000 -7.287) 14.852 12.535 ( 5.676 0.000 6.945) 8.969 12.662 ( 0.710 0.000 4.703) 4.756 12.670 ( 6.603 0.000 2.953) 7.233 12.704 ( 1.128 0.000 3.254) 3.444 13.095 ( -1.330 0.000 4.984) 5.158 13.312 ( -3.984 0.000 -5.048) 6.431 13.495 ( -2.468 0.000 1.970) 3.158 13.668 ( -3.154 0.000 1.270) 3.400 13.986 ( -0.478 0.000 -8.900) 8.913 14.118 ( -1.448 0.000 -10.484) 10.583 19.068 ( 6.341 0.000 6.832) 9.321 19.337 ( 5.852 0.000 -5.119) 7.775 19.989 ( 0.355 0.000 2.506) 2.531 20.027 ( 0.993 0.000 0.580) 1.150 20.127 ( -2.187 0.000 13.598) 13.773 20.721 ( -8.916 0.000 -14.593) 17.101 20.988 ( -13.327 0.000 4.682) 14.125 21.085 ( -17.879 0.000 0.597) 17.889 22.243 ( 2.907 0.000 8.432) 8.919 22.435 ( 0.945 0.000 0.902) 1.306 23.060 ( 3.989 0.000 4.434) 5.964 23.368 ( 0.567 0.000 -8.572) 8.591 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 2.323 0.000 5.422) 5.898 3.245 ( -5.904 0.000 -5.990) 8.410 3.404 ( 20.790 0.000 16.507) 26.546 3.938 ( 8.305 0.000 -9.966) 12.973 4.064 ( 7.837 0.000 11.495) 13.912 4.282 ( -0.948 0.000 3.848) 3.963 4.296 ( -10.355 0.000 -0.410) 10.363 4.398 ( -7.750 0.000 -5.173) 9.317 4.669 ( 3.620 0.000 4.588) 5.844 4.812 ( -4.372 0.000 -4.010) 5.933 5.230 ( 7.089 0.000 17.695) 19.062 5.395 ( 0.842 0.000 9.638) 9.675 5.622 ( 15.325 0.000 4.534) 15.981 5.965 ( 8.249 0.000 -2.157) 8.526 6.269 ( -6.861 0.000 -9.408) 11.644 6.467 ( -9.627 0.000 -11.007) 14.622 6.566 ( -8.308 0.000 -8.943) 12.207 6.694 ( -12.131 0.000 -11.854) 16.961 6.752 ( -5.373 0.000 1.357) 5.542 7.006 ( -13.214 0.000 -9.029) 16.004 8.205 ( 9.953 0.000 5.873) 11.556 8.422 ( 8.399 0.000 6.502) 10.622 8.491 ( 2.860 0.000 -5.226) 5.957 8.500 ( 8.405 0.000 3.578) 9.135 8.649 ( -1.033 0.000 2.873) 3.053 8.777 ( -6.290 0.000 -2.368) 6.721 8.780 ( -2.999 0.000 4.023) 5.018 8.822 ( 3.723 0.000 -2.627) 4.557 8.960 ( -8.754 0.000 -8.884) 12.472 8.991 ( -3.709 0.000 -7.133) 8.040 9.644 ( 0.794 0.000 6.120) 6.171 9.746 ( -4.448 0.000 0.436) 4.469 10.408 ( 4.031 0.000 0.761) 4.103 10.514 ( -0.152 0.000 -4.437) 4.439 10.888 ( 2.280 0.000 -0.047) 2.280 10.980 ( -1.310 0.000 -5.768) 5.915 11.326 ( 10.267 0.000 1.000) 10.316 11.427 ( 6.047 0.000 -4.113) 7.313 12.660 ( 5.640 0.000 9.499) 11.047 12.682 ( 1.167 0.000 5.272) 5.400 12.719 ( 0.121 0.000 4.326) 4.328 12.772 ( 2.234 0.000 7.960) 8.268 13.083 ( 0.586 0.000 1.610) 1.713 13.217 ( -4.662 0.000 -4.094) 6.205 13.473 ( 0.709 0.000 -4.989) 5.040 13.596 ( -3.545 0.000 -3.453) 4.949 13.987 ( 0.724 0.000 -8.241) 8.273 14.074 ( -2.575 0.000 -9.340) 9.688 19.219 ( 7.520 0.000 7.823) 10.851 19.422 ( 0.971 0.000 0.741) 1.221 20.028 ( 3.355 0.000 2.867) 4.413 20.072 ( 2.927 0.000 0.704) 3.010 20.128 ( 3.321 0.000 4.036) 5.227 20.504 ( -11.054 0.000 -11.719) 16.110 20.695 ( -12.681 0.000 2.584) 12.942 20.738 ( -13.529 0.000 1.045) 13.569 22.339 ( 5.317 0.000 7.869) 9.496 22.462 ( 0.695 0.000 3.636) 3.702 23.132 ( 3.428 0.000 0.936) 3.554 23.327 ( -4.081 0.000 -6.688) 7.834 ======================= Grid point 256 (85/120) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -5.144 0.000 -0.553) 5.174 3.123 ( 5.144 0.000 -0.553) 5.174 3.840 ( -18.452 0.000 9.273) 20.651 3.840 ( 18.452 0.000 9.273) 20.651 4.211 ( -5.534 0.000 8.880) 10.463 4.211 ( 5.534 0.000 8.880) 10.463 4.231 ( -7.114 0.000 -7.096) 10.049 4.231 ( 7.114 0.000 -7.096) 10.049 4.742 ( -3.166 0.000 -2.463) 4.011 4.742 ( 3.166 0.000 -2.463) 4.011 5.366 ( -4.282 0.000 14.648) 15.261 5.366 ( 4.282 0.000 14.648) 15.261 5.941 ( -13.004 0.000 2.429) 13.229 5.941 ( 13.004 0.000 2.429) 13.229 6.255 ( -9.069 0.000 -12.271) 15.259 6.255 ( 9.069 0.000 -12.271) 15.259 6.512 ( -3.666 0.000 -11.607) 12.173 6.512 ( 3.666 0.000 -11.607) 12.173 6.781 ( -7.148 0.000 -4.213) 8.297 6.781 ( 7.148 0.000 -4.213) 8.297 8.410 ( -8.700 0.000 4.677) 9.877 8.410 ( 8.700 0.000 4.677) 9.877 8.565 ( -4.615 0.000 6.794) 8.213 8.565 ( 4.615 0.000 6.794) 8.213 8.683 ( -5.998 0.000 2.930) 6.676 8.683 ( 5.998 0.000 2.930) 6.676 8.794 ( -6.253 0.000 -10.449) 12.177 8.794 ( 6.253 0.000 -10.449) 12.177 8.905 ( -4.051 0.000 -4.619) 6.144 8.905 ( 4.051 0.000 -4.619) 6.144 9.677 ( -2.291 0.000 3.363) 4.070 9.677 ( 2.291 0.000 3.363) 4.070 10.480 ( -2.711 0.000 -2.274) 3.539 10.480 ( 2.711 0.000 -2.274) 3.539 10.941 ( -2.340 0.000 -2.291) 3.275 10.941 ( 2.340 0.000 -2.291) 3.275 11.465 ( -2.514 0.000 -1.058) 2.728 11.465 ( 2.514 0.000 -1.058) 2.728 12.707 ( -1.077 0.000 5.338) 5.446 12.707 ( 1.077 0.000 5.338) 5.446 12.758 ( -3.169 0.000 10.640) 11.102 12.758 ( 3.169 0.000 10.640) 11.102 13.127 ( -3.463 0.000 -1.988) 3.994 13.127 ( 3.463 0.000 -1.988) 3.994 13.521 ( -3.349 0.000 -7.177) 7.920 13.521 ( 3.349 0.000 -7.177) 7.920 14.019 ( -2.263 0.000 -8.177) 8.484 14.019 ( 2.263 0.000 -8.177) 8.484 19.366 ( -5.600 0.000 6.740) 8.763 19.366 ( 5.600 0.000 6.740) 8.763 20.100 ( -1.729 0.000 2.429) 2.981 20.100 ( 1.729 0.000 2.429) 2.981 20.275 ( -9.774 0.000 -6.266) 11.610 20.275 ( 9.774 0.000 -6.266) 11.610 20.556 ( -1.672 0.000 0.783) 1.846 20.556 ( 1.672 0.000 0.783) 1.846 22.437 ( -3.229 0.000 6.510) 7.267 22.437 ( 3.229 0.000 6.510) 7.267 23.222 ( -5.033 0.000 -3.484) 6.121 23.222 ( 5.033 0.000 -3.484) 6.121 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 0.000 4.627 25.860) 26.270 3.038 ( 0.000 -6.814 27.423) 28.257 3.326 ( 0.000 -4.360 -1.056) 4.486 3.538 ( 0.000 1.311 -16.785) 16.836 3.810 ( 0.000 3.333 -7.527) 8.232 4.053 ( 0.000 -6.767 -8.380) 10.771 4.381 ( 0.000 -7.905 18.682) 20.286 4.412 ( 0.000 8.588 -5.546) 10.223 4.453 ( 0.000 -6.708 -3.013) 7.353 4.969 ( 0.000 1.888 15.992) 16.103 5.020 ( 0.000 -15.573 -7.361) 17.225 5.206 ( 0.000 -10.518 0.650) 10.538 5.510 ( 0.000 26.906 11.107) 29.108 5.995 ( 0.000 25.549 -8.185) 26.828 6.545 ( 0.000 13.143 6.256) 14.556 6.956 ( 0.000 6.448 -11.372) 13.073 7.169 ( 0.000 -7.537 -0.189) 7.540 7.303 ( 0.000 -1.757 -4.709) 5.026 7.558 ( 0.000 5.966 -1.906) 6.263 7.614 ( 0.000 10.412 0.557) 10.427 7.800 ( 0.000 0.097 -1.355) 1.358 7.910 ( 0.000 0.767 7.397) 7.436 8.167 ( 0.000 3.372 -2.425) 4.154 8.180 ( 0.000 2.759 -14.858) 15.112 8.562 ( 0.000 -9.376 -3.018) 9.850 8.658 ( 0.000 -1.901 -8.253) 8.469 8.721 ( 0.000 -11.290 2.803) 11.633 8.940 ( 0.000 -6.685 -9.819) 11.878 9.115 ( 0.000 -6.294 5.438) 8.318 9.290 ( 0.000 -5.930 -2.088) 6.287 9.795 ( 0.000 -7.002 10.030) 12.233 10.168 ( 0.000 3.984 9.006) 9.848 10.233 ( 0.000 -10.144 -6.825) 12.226 10.441 ( 0.000 1.426 -0.014) 1.426 10.497 ( 0.000 5.549 -10.752) 12.099 10.541 ( 0.000 -3.907 -6.173) 7.305 11.005 ( 0.000 8.842 -3.479) 9.502 11.109 ( 0.000 7.054 -10.560) 12.699 12.381 ( 0.000 -8.093 4.456) 9.239 12.381 ( 0.000 -2.158 3.551) 4.156 12.599 ( 0.000 -6.459 2.124) 6.799 12.630 ( 0.000 -2.502 0.616) 2.577 13.165 ( 0.000 2.796 5.989) 6.609 13.342 ( 0.000 -4.315 -1.563) 4.589 13.646 ( 0.000 5.261 6.063) 8.028 13.777 ( 0.000 2.576 3.693) 4.503 13.999 ( 0.000 -0.822 -7.561) 7.605 14.147 ( 0.000 0.639 -10.828) 10.847 19.007 ( 0.000 8.114 3.673) 8.906 19.205 ( 0.000 3.343 -5.513) 6.447 19.995 ( 0.000 -1.650 4.424) 4.722 20.039 ( 0.000 1.222 1.052) 1.612 20.277 ( 0.000 6.781 15.144) 16.593 20.912 ( 0.000 -1.074 -14.098) 14.139 21.286 ( 0.000 -1.932 6.988) 7.250 21.496 ( 0.000 -2.178 -2.776) 3.528 22.306 ( 0.000 -0.604 5.432) 5.465 22.525 ( 0.000 -3.748 -5.538) 6.688 22.827 ( 0.000 1.329 11.113) 11.193 23.209 ( 0.000 -3.072 -7.477) 8.084 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 8.123 3.263 24.798) 26.298 3.038 ( 0.343 -3.064 21.347) 21.569 3.348 ( 1.876 -4.542 0.469) 4.936 3.590 ( 4.005 1.131 -15.556) 16.103 3.809 ( 1.137 2.021 -5.170) 5.666 4.100 ( 3.748 -6.507 -6.514) 9.941 4.356 ( -1.314 -8.433 6.639) 10.813 4.458 ( 3.853 3.646 1.508) 5.515 4.516 ( 4.435 -0.747 -1.376) 4.703 4.978 ( -3.884 -14.064 -6.223) 15.862 4.989 ( 1.896 -1.018 16.107) 16.250 5.225 ( 1.774 -9.086 1.948) 9.460 5.512 ( 0.518 25.546 11.170) 27.886 5.995 ( 0.160 24.480 -7.867) 25.714 6.531 ( -1.303 13.012 4.756) 13.915 6.899 ( -5.182 6.523 -11.243) 13.994 7.046 ( -10.097 -4.766 -0.064) 11.165 7.214 ( -8.763 0.311 -5.752) 10.487 7.336 ( -13.164 7.009 -0.664) 14.928 7.579 ( -9.317 2.294 -12.179) 15.505 7.823 ( 4.902 1.043 6.670) 8.343 8.045 ( 8.633 1.275 5.263) 10.191 8.133 ( 2.785 -1.169 -3.544) 4.657 8.320 ( 6.895 4.618 -8.295) 11.734 8.573 ( 1.313 -7.139 -1.898) 7.503 8.677 ( 0.317 -4.407 -2.952) 5.314 8.708 ( 0.284 -8.265 0.325) 8.277 8.942 ( -1.161 -8.578 -9.296) 12.702 9.079 ( -2.152 -5.419 3.208) 6.656 9.242 ( -4.259 -5.489 -3.598) 7.824 9.718 ( -5.140 -3.136 9.419) 11.179 10.066 ( -11.464 -5.796 -6.781) 14.526 10.247 ( 6.770 5.014 7.352) 11.182 10.446 ( 4.939 5.828 -2.671) 8.093 10.683 ( 12.342 -1.138 -2.778) 12.702 10.740 ( 10.283 -6.028 -7.187) 13.918 11.024 ( 2.594 6.898 -3.875) 8.326 11.111 ( 1.010 7.613 -9.383) 12.125 12.407 ( 2.311 -3.543 4.327) 6.051 12.422 ( 3.517 -9.525 4.835) 11.246 12.592 ( 0.027 -6.250 3.117) 6.984 12.670 ( 2.848 -1.121 -0.295) 3.075 13.154 ( -0.875 2.859 5.699) 6.435 13.331 ( -0.897 -3.145 -2.070) 3.870 13.627 ( -1.783 5.930 4.863) 7.873 13.755 ( -1.917 2.650 3.598) 4.862 13.989 ( -0.850 -0.964 -8.065) 8.166 14.136 ( -1.108 -0.156 -10.932) 10.989 19.040 ( 3.149 7.729 4.276) 9.377 19.254 ( 4.382 3.357 -5.626) 7.882 19.980 ( -1.176 -1.718 4.498) 4.956 20.032 ( -0.478 0.994 0.858) 1.397 20.249 ( -2.516 6.486 14.207) 15.819 20.858 ( -4.932 -1.151 -13.754) 14.657 21.201 ( -7.834 -2.034 6.116) 10.145 21.387 ( -10.693 -2.479 -2.344) 11.224 22.258 ( -2.532 0.837 7.016) 7.505 22.463 ( -2.489 0.181 -1.726) 3.034 22.924 ( 5.875 -1.794 7.162) 9.436 23.264 ( 3.850 -4.200 -7.791) 9.652 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 7.858 -1.984 19.344) 20.974 3.106 ( 9.410 5.655 14.824) 18.446 3.366 ( -1.256 0.489 -3.468) 3.720 3.695 ( 6.459 -4.032 -5.795) 9.568 3.895 ( 6.637 1.162 -2.246) 7.102 4.181 ( 3.188 -6.380 -2.665) 7.614 4.325 ( -1.961 -10.009 2.262) 10.447 4.526 ( -0.372 2.030 -8.381) 8.632 4.613 ( 5.159 2.956 5.882) 8.364 4.864 ( -5.506 -8.769 -2.453) 10.641 5.056 ( 4.179 -4.878 15.261) 16.557 5.273 ( 2.390 -6.740 4.583) 8.494 5.561 ( 5.117 20.110 9.714) 22.912 6.015 ( 2.136 19.745 -7.348) 21.176 6.487 ( -3.058 11.637 0.263) 12.035 6.746 ( -9.270 7.052 -10.577) 15.734 6.788 ( -12.745 -1.786 -2.680) 13.145 6.992 ( -10.227 4.276 -3.953) 11.768 7.044 ( -14.182 5.754 -5.746) 16.348 7.319 ( -13.604 1.387 -11.490) 17.861 7.965 ( 7.665 -2.532 6.180) 10.166 8.175 ( 5.248 -7.600 -1.279) 9.324 8.295 ( 9.757 2.413 4.788) 11.133 8.449 ( 4.988 0.355 -3.739) 6.244 8.615 ( 1.945 -5.571 1.048) 5.993 8.636 ( -2.940 -10.657 2.751) 11.392 8.755 ( 2.543 0.096 -2.774) 3.765 8.864 ( -4.485 -7.806 -5.844) 10.733 9.063 ( -0.105 -2.482 -3.123) 3.991 9.133 ( -5.226 -0.521 -5.155) 7.359 9.634 ( -2.515 -1.427 7.541) 8.076 9.844 ( -8.916 -2.677 -3.681) 10.010 10.406 ( 7.179 8.025 4.791) 11.785 10.571 ( 5.554 8.185 -3.688) 10.557 10.841 ( 1.444 -1.481 -2.012) 2.885 10.924 ( 6.315 -4.178 -6.039) 9.685 11.118 ( 7.324 3.933 -1.248) 8.407 11.234 ( 9.708 1.896 -6.546) 11.861 12.468 ( 3.192 -8.122 5.752) 10.452 12.507 ( 3.829 -12.053 5.730) 13.884 12.609 ( 1.660 -4.496 4.473) 6.556 12.728 ( 2.126 0.741 0.211) 2.261 13.139 ( -0.177 3.162 4.621) 5.602 13.313 ( -0.548 0.704 -3.145) 3.269 13.575 ( -2.809 6.885 1.764) 7.642 13.705 ( -2.573 3.164 2.251) 4.658 13.968 ( -1.049 -1.639 -8.961) 9.170 14.098 ( -2.459 -1.929 -10.895) 11.335 19.136 ( 5.730 6.755 5.654) 10.509 19.370 ( 5.815 3.397 -4.775) 8.256 19.964 ( 0.233 -2.262 4.429) 4.979 20.034 ( 1.036 0.504 0.285) 1.187 20.184 ( -3.114 5.663 11.105) 12.849 20.711 ( -8.730 -0.996 -12.628) 15.384 20.973 ( -12.909 -1.585 3.765) 13.540 21.072 ( -17.085 -1.459 0.097) 17.147 22.265 ( 3.151 2.413 7.830) 8.778 22.455 ( 1.258 2.074 0.241) 2.438 23.023 ( 3.440 -3.740 4.833) 7.013 23.315 ( 0.248 -5.494 -7.516) 9.313 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 4.505 1.905 8.555) 9.855 3.291 ( -5.175 4.638 -4.117) 8.077 3.442 ( 19.050 3.925 14.412) 24.208 3.860 ( 7.916 -7.852 2.350) 11.394 4.051 ( 6.684 -0.423 0.330) 6.706 4.201 ( -1.607 -5.654 1.916) 6.182 4.249 ( -6.446 -6.649 -0.482) 9.273 4.395 ( -8.828 -1.070 -4.541) 9.985 4.720 ( 4.051 3.658 1.697) 5.716 4.798 ( -1.058 0.235 -2.626) 2.841 5.162 ( 5.662 -6.621 13.299) 15.898 5.309 ( 0.502 -6.801 7.755) 10.327 5.752 ( 12.505 12.233 4.863) 18.157 6.091 ( 4.638 11.413 -5.766) 13.602 6.378 ( -7.821 9.352 -5.212) 13.259 6.472 ( -13.355 1.088 -7.649) 15.429 6.612 ( -5.041 3.765 -9.615) 11.491 6.756 ( -12.076 6.720 -9.633) 16.846 6.838 ( -3.244 9.504 -0.957) 10.087 7.046 ( -11.227 4.735 -7.694) 14.411 8.133 ( 7.919 -6.376 5.503) 11.561 8.286 ( 4.418 -11.527 0.129) 12.345 8.478 ( 4.415 -7.284 3.171) 9.089 8.501 ( 0.382 -4.182 2.859) 5.080 8.557 ( -2.128 -9.555 2.826) 10.189 8.652 ( 0.859 0.612 1.992) 2.254 8.777 ( 0.715 -3.898 -3.594) 5.350 8.836 ( 0.860 0.668 -3.463) 3.630 9.032 ( -2.680 3.661 -5.348) 7.014 9.056 ( -1.842 7.337 -5.412) 9.301 9.605 ( -0.320 -2.733 4.820) 5.550 9.695 ( -5.182 -3.278 -0.458) 6.148 10.533 ( 4.807 10.493 1.888) 11.695 10.642 ( 0.740 11.684 -4.130) 12.414 10.871 ( 2.185 -1.669 -0.298) 2.766 10.962 ( -0.692 -1.477 -5.955) 6.175 11.320 ( 9.010 -0.628 0.877) 9.075 11.410 ( 5.607 -1.365 -3.804) 6.912 12.532 ( 2.709 -12.489 6.866) 14.507 12.568 ( 1.834 -14.483 6.609) 16.025 12.653 ( 2.160 -2.050 5.097) 5.903 12.741 ( -0.973 0.732 2.526) 2.804 13.160 ( 2.335 4.616 3.138) 6.051 13.298 ( -1.684 5.903 -1.138) 6.243 13.537 ( 0.107 6.171 -3.411) 7.052 13.648 ( -2.862 4.552 -1.542) 5.594 13.954 ( 0.010 -2.976 -9.270) 9.736 14.036 ( -3.202 -3.609 -10.202) 11.285 19.273 ( 6.777 5.419 6.774) 11.008 19.454 ( 0.997 3.458 0.300) 3.611 20.017 ( 4.886 -2.426 2.313) 5.925 20.090 ( 4.533 -0.522 -0.870) 4.645 20.138 ( -0.982 4.016 6.052) 7.329 20.499 ( -11.078 -0.188 -10.361) 15.169 20.694 ( -11.679 -0.285 2.376) 11.921 20.741 ( -12.741 0.245 0.404) 12.750 22.362 ( 5.232 2.513 7.380) 9.389 22.484 ( 0.683 2.414 3.135) 4.015 23.086 ( 3.097 -4.763 1.313) 5.831 23.271 ( -3.993 -5.731 -5.885) 9.134 ======================= Grid point 265 (90/120) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( -5.797 4.806 1.461) 7.671 3.170 ( 5.797 4.806 1.461) 7.671 3.835 ( -15.267 -0.628 9.222) 17.847 3.835 ( 15.267 -0.628 9.222) 17.847 4.106 ( -4.781 -7.357 4.563) 9.890 4.106 ( 4.781 -7.357 4.563) 9.890 4.249 ( -6.030 -0.994 -4.186) 7.407 4.249 ( 6.030 -0.994 -4.186) 7.407 4.777 ( -1.548 3.374 -1.761) 4.109 4.777 ( 1.548 3.374 -1.761) 4.109 5.274 ( -3.974 -7.769 10.332) 13.524 5.274 ( 3.974 -7.769 10.332) 13.524 6.050 ( -13.392 8.889 1.841) 16.178 6.050 ( 13.392 8.889 1.841) 16.178 6.278 ( -5.174 2.393 -11.099) 12.477 6.278 ( 5.174 2.393 -11.099) 12.477 6.582 ( -3.218 7.029 -10.128) 12.741 6.582 ( 3.218 7.029 -10.128) 12.741 6.866 ( -5.375 9.373 -3.421) 11.334 6.866 ( 5.375 9.373 -3.421) 11.334 8.285 ( -5.403 -11.059 4.706) 13.177 8.285 ( 5.403 -11.059 4.706) 13.177 8.475 ( -2.431 -11.544 -0.523) 11.808 8.475 ( 2.431 -11.544 -0.523) 11.808 8.629 ( -3.566 -0.185 5.234) 6.336 8.629 ( 3.566 -0.185 5.234) 6.336 8.821 ( -2.407 -1.880 -2.916) 4.223 8.821 ( 2.407 -1.880 -2.916) 4.223 9.017 ( -1.338 10.633 -6.000) 12.282 9.017 ( 1.338 10.633 -6.000) 12.282 9.621 ( -1.927 -3.896 2.217) 4.879 9.621 ( 1.927 -3.896 2.217) 4.879 10.614 ( -2.825 11.798 -1.249) 12.195 10.614 ( 2.825 11.798 -1.249) 12.195 10.926 ( -2.481 -1.257 -2.864) 3.992 10.926 ( 2.481 -1.257 -2.864) 3.992 11.446 ( -2.357 -1.847 -0.902) 3.128 11.446 ( 2.357 -1.847 -0.902) 3.128 12.576 ( -1.122 -14.861 7.455) 16.664 12.576 ( 1.122 -14.861 7.455) 16.664 12.701 ( -2.357 -0.293 3.911) 4.576 12.701 ( 2.357 -0.293 3.911) 4.576 13.232 ( -3.928 6.865 1.967) 8.150 13.232 ( 3.928 6.865 1.967) 8.150 13.582 ( -3.249 5.600 -5.310) 8.374 13.582 ( 3.249 5.600 -5.310) 8.374 13.976 ( -2.090 -4.074 -9.349) 10.410 13.976 ( 2.090 -4.074 -9.349) 10.410 19.405 ( -5.013 4.067 5.775) 8.661 19.405 ( 5.013 4.067 5.775) 8.661 20.113 ( -2.537 -0.693 2.591) 3.692 20.113 ( 2.537 -0.693 2.591) 3.692 20.255 ( -10.808 0.146 -5.550) 12.150 20.255 ( 10.808 0.146 -5.550) 12.150 20.573 ( -1.675 1.279 0.360) 2.138 20.573 ( 1.675 1.279 0.360) 2.138 22.458 ( -3.217 2.400 6.064) 7.272 22.458 ( 3.217 2.400 6.064) 7.272 23.171 ( -4.807 -5.378 -2.955) 7.795 23.171 ( 4.807 -5.378 -2.955) 7.795 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 0.000 5.114 22.261) 22.840 2.896 ( 0.000 -6.946 31.299) 32.061 3.253 ( 0.000 -1.603 11.147) 11.262 3.575 ( 0.000 2.444 -14.242) 14.450 3.897 ( 0.000 0.534 -8.048) 8.065 3.923 ( 0.000 -6.961 -12.550) 14.352 4.082 ( 0.000 -10.017 10.327) 14.387 4.478 ( 0.000 1.906 -4.358) 4.757 4.556 ( 0.000 5.307 -4.672) 7.071 4.721 ( 0.000 -15.270 -15.307) 21.621 5.036 ( 0.000 3.437 11.392) 11.899 5.044 ( 0.000 -5.902 4.603) 7.485 6.052 ( 0.000 30.145 12.923) 32.799 6.500 ( 0.000 27.426 -3.826) 27.692 6.819 ( 0.000 13.428 0.895) 13.458 7.041 ( 0.000 0.886 -8.380) 8.427 7.071 ( 0.000 -2.282 3.509) 4.186 7.362 ( 0.000 8.331 -7.028) 10.899 7.643 ( 0.000 2.377 0.117) 2.380 7.750 ( 0.000 3.668 0.839) 3.763 7.803 ( 0.000 0.211 0.714) 0.745 7.926 ( 0.000 -0.077 6.175) 6.176 8.157 ( 0.000 -9.585 8.021) 12.498 8.232 ( 0.000 -2.200 -10.973) 11.192 8.321 ( 0.000 -10.301 1.623) 10.428 8.550 ( 0.000 -4.421 -6.764) 8.081 8.662 ( 0.000 6.564 -11.094) 12.890 8.825 ( 0.000 -3.485 -11.126) 11.659 9.000 ( 0.000 -4.894 3.215) 5.855 9.160 ( 0.000 -7.067 -3.168) 7.745 9.568 ( 0.000 -16.216 2.530) 16.412 9.927 ( 0.000 -20.733 -12.022) 23.966 10.267 ( 0.000 6.269 10.849) 12.530 10.499 ( 0.000 -0.553 -2.001) 2.075 10.511 ( 0.000 5.215 -1.782) 5.512 10.620 ( 0.000 4.593 -7.536) 8.826 11.168 ( 0.000 8.347 -1.979) 8.578 11.251 ( 0.000 7.108 -7.238) 10.145 12.225 ( 0.000 -6.915 5.981) 9.143 12.322 ( 0.000 -4.149 3.102) 5.180 12.459 ( 0.000 -7.226 2.055) 7.512 12.554 ( 0.000 -5.627 0.396) 5.641 13.230 ( 0.000 3.607 2.426) 4.347 13.287 ( 0.000 -1.183 -0.672) 1.361 13.742 ( 0.000 4.542 3.779) 5.909 13.823 ( 0.000 1.895 3.875) 4.314 13.990 ( 0.000 0.257 -6.216) 6.221 14.139 ( 0.000 -1.788 -8.957) 9.134 19.183 ( 0.000 9.363 1.450) 9.474 19.280 ( 0.000 4.147 -2.839) 5.026 19.978 ( 0.000 0.059 4.457) 4.457 20.059 ( 0.000 0.432 0.040) 0.434 20.437 ( 0.000 9.844 11.751) 15.330 20.882 ( 0.000 -2.367 -6.289) 6.719 21.242 ( 0.000 -2.104 2.189) 3.036 21.432 ( 0.000 -4.620 -3.972) 6.093 22.296 ( 0.000 -0.210 3.878) 3.884 22.437 ( 0.000 -5.087 -3.335) 6.083 22.867 ( 0.000 2.953 8.230) 8.744 23.131 ( 0.000 -4.960 -4.438) 6.655 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 4.401 2.221 23.661) 24.169 2.979 ( 7.465 -2.980 24.874) 26.140 3.265 ( 1.853 -1.577 10.908) 11.176 3.633 ( 3.887 3.258 -13.778) 14.682 3.847 ( -0.242 -3.736 -7.652) 8.519 4.009 ( 3.903 -0.214 -11.192) 11.855 4.088 ( 0.547 -12.344 10.310) 16.093 4.503 ( 2.635 1.544 -3.857) 4.920 4.595 ( 2.608 3.300 -4.698) 6.306 4.699 ( -1.346 -14.252 -11.945) 18.644 4.988 ( -1.617 -0.711 8.226) 8.414 5.114 ( 3.516 -2.210 5.703) 7.054 6.032 ( -1.798 29.017 13.075) 31.877 6.492 ( -1.030 27.559 -4.418) 27.930 6.780 ( -3.880 9.831 -0.464) 10.579 6.962 ( -6.716 -0.243 -4.093) 7.869 7.034 ( -3.375 4.083 -0.473) 5.318 7.306 ( -5.902 9.809 -5.848) 12.855 7.457 ( -13.322 5.525 -1.062) 14.461 7.597 ( -11.353 -0.689 -7.883) 13.839 7.837 ( 2.880 0.101 4.921) 5.702 7.990 ( 0.551 -6.183 -0.363) 6.218 8.128 ( 2.237 -6.928 8.194) 10.961 8.274 ( 2.269 -10.909 -2.606) 11.443 8.358 ( 1.935 -8.907 2.419) 9.430 8.597 ( 3.422 0.711 -5.959) 6.908 8.721 ( 3.514 4.483 -7.977) 9.802 8.796 ( -1.994 -3.279 -8.905) 9.697 8.963 ( -1.746 -5.353 1.613) 5.857 9.140 ( -0.481 -4.048 -5.670) 6.983 9.587 ( 0.789 -10.700 3.431) 11.264 9.883 ( -3.917 -14.286 -9.268) 17.474 10.346 ( 7.359 5.594 9.151) 13.007 10.529 ( 5.019 3.322 -0.424) 6.033 10.674 ( 10.724 -1.594 -4.814) 11.863 10.705 ( 6.779 2.097 -6.383) 9.544 11.165 ( 0.046 8.198 -1.336) 8.306 11.259 ( 1.019 7.524 -6.810) 10.199 12.221 ( -0.290 -9.708 6.013) 11.423 12.317 ( -0.604 -7.088 2.371) 7.498 12.474 ( 2.428 -4.431 4.564) 6.809 12.623 ( 5.223 -3.950 -1.016) 6.627 13.211 ( -1.570 2.803 3.292) 4.600 13.298 ( 0.997 -0.288 -1.337) 1.692 13.733 ( -0.810 4.884 3.134) 5.859 13.803 ( -1.789 2.089 3.659) 4.577 13.977 ( -1.194 0.060 -6.763) 6.868 14.118 ( -1.998 -1.985 -9.411) 9.823 19.210 ( 2.540 9.089 2.174) 9.684 19.330 ( 4.456 4.183 -3.398) 6.993 19.958 ( -1.696 -0.281 4.718) 5.021 20.046 ( -0.989 0.087 -0.097) 0.998 20.402 ( -3.087 9.428 10.871) 14.717 20.827 ( -5.018 -2.467 -6.397) 8.496 21.155 ( -7.784 -2.215 1.775) 8.286 21.319 ( -10.413 -4.618 -3.302) 11.860 22.285 ( 0.228 2.109 5.257) 5.669 22.456 ( 1.632 -1.305 -2.939) 3.606 22.898 ( 2.223 -0.315 7.423) 7.755 23.159 ( 1.884 -6.576 -4.739) 8.322 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 7.564 0.727 20.944) 22.279 3.199 ( 12.870 1.151 14.903) 19.725 3.346 ( 5.309 0.323 10.902) 12.131 3.674 ( 0.223 2.929 -8.077) 8.594 3.924 ( 6.379 -3.202 -6.599) 9.721 4.065 ( 1.643 -3.580 0.878) 4.036 4.100 ( 0.337 -9.551 -0.948) 9.604 4.529 ( -5.203 -3.946 -10.543) 12.401 4.624 ( 4.608 -1.878 -0.940) 5.064 4.749 ( 5.536 -2.938 -1.241) 6.389 4.978 ( 0.782 -1.621 6.619) 6.859 5.178 ( 2.260 -3.648 3.358) 5.449 5.990 ( -1.426 24.026 10.936) 26.436 6.432 ( -5.234 21.739 -7.461) 23.572 6.657 ( -7.135 4.817 -1.529) 8.744 6.809 ( -6.529 4.821 -3.065) 8.675 6.892 ( -11.485 8.175 -5.163) 15.013 7.134 ( -9.304 8.525 0.134) 12.620 7.178 ( -10.060 9.723 -8.541) 16.391 7.364 ( -9.486 3.736 -8.803) 13.470 7.909 ( 3.717 -3.841 4.563) 7.028 7.998 ( 1.094 -11.342 -0.093) 11.395 8.188 ( 2.206 -15.143 5.328) 16.204 8.290 ( -1.131 -16.723 1.154) 16.801 8.429 ( 4.903 -1.102 2.550) 5.635 8.652 ( 1.243 1.713 0.188) 2.125 8.695 ( -2.194 -6.787 -4.428) 8.396 8.810 ( 0.010 -1.444 -2.630) 3.000 9.003 ( 5.773 2.900 -2.951) 7.103 9.170 ( 2.826 4.569 -7.597) 9.305 9.585 ( -0.774 -4.319 3.609) 5.682 9.777 ( -5.704 -5.760 -5.427) 9.755 10.532 ( 8.847 4.813 6.327) 11.894 10.676 ( 7.816 2.238 -1.828) 8.333 10.847 ( 4.840 1.672 -5.533) 7.539 10.867 ( 6.033 -2.519 -4.891) 8.165 11.201 ( 4.181 6.365 0.777) 7.654 11.315 ( 4.558 6.809 -5.510) 9.874 12.216 ( -0.024 -14.410 6.319) 15.735 12.304 ( -0.434 -11.860 2.620) 12.153 12.557 ( 4.751 -0.152 5.863) 7.548 12.738 ( 4.848 -0.116 -1.765) 5.161 13.176 ( -1.199 1.025 5.171) 5.406 13.329 ( 1.739 0.018 -1.852) 2.541 13.705 ( -1.955 6.148 1.381) 6.598 13.760 ( -1.816 2.395 2.373) 3.829 13.943 ( -1.835 -0.447 -8.129) 8.346 14.055 ( -3.759 -2.473 -10.427) 11.356 19.289 ( 4.820 8.635 3.633) 10.535 19.451 ( 6.265 4.532 -4.014) 8.712 19.919 ( -1.423 -1.985 5.260) 5.799 20.029 ( -0.308 -1.367 -0.520) 1.495 20.323 ( -3.796 8.659 8.332) 12.602 20.685 ( -7.850 -1.893 -6.504) 10.369 20.937 ( -12.034 -1.765 0.769) 12.187 21.032 ( -15.125 -2.755 -1.220) 15.422 22.332 ( 4.007 4.685 6.052) 8.639 22.504 ( 2.793 2.738 -1.477) 4.181 22.937 ( 1.334 -4.585 5.851) 7.552 23.177 ( -0.746 -8.766 -4.707) 9.978 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 8.656 4.076 13.873) 16.852 3.388 ( -0.178 4.034 2.712) 4.865 3.540 ( 15.269 5.876 11.832) 20.190 3.706 ( 4.132 -5.875 6.874) 9.942 4.014 ( -1.194 -5.994 0.521) 6.134 4.075 ( 1.009 -9.131 0.038) 9.186 4.137 ( 3.073 -0.576 -5.745) 6.541 4.343 ( -10.479 -4.097 -6.378) 12.934 4.751 ( 5.934 0.885 0.066) 6.000 4.856 ( 2.988 3.416 -1.579) 4.805 5.027 ( 4.097 -5.935 6.428) 9.661 5.194 ( -1.102 -5.351 3.081) 6.272 6.016 ( 4.897 14.324 3.253) 15.483 6.295 ( -5.795 7.330 -9.932) 13.637 6.472 ( -9.935 3.049 -4.909) 11.493 6.573 ( -16.173 4.964 -6.894) 18.268 6.739 ( -0.052 12.843 -4.383) 13.571 6.917 ( -8.539 10.623 -7.200) 15.414 7.097 ( -0.620 16.259 -1.294) 16.322 7.203 ( -5.738 11.681 -4.829) 13.881 7.983 ( 3.086 -9.945 4.133) 11.203 8.027 ( 1.159 -15.728 1.284) 15.823 8.215 ( 0.569 -16.425 1.892) 16.544 8.254 ( -1.778 -15.264 -0.194) 15.369 8.534 ( 4.559 -0.601 5.158) 6.910 8.652 ( -0.750 -1.051 4.862) 5.030 8.695 ( 1.553 -4.838 -1.580) 5.321 8.790 ( -1.623 -5.778 0.609) 6.032 9.141 ( 6.094 9.815 -4.389) 12.358 9.230 ( 2.096 9.900 -6.636) 12.101 9.566 ( -0.599 -1.712 1.896) 2.624 9.658 ( -5.104 -1.584 -2.848) 6.056 10.692 ( 6.135 4.862 3.592) 8.612 10.829 ( 5.993 1.176 -3.306) 6.945 10.867 ( -1.765 5.552 -2.685) 6.415 10.944 ( 1.284 -0.397 -5.836) 5.989 11.327 ( 6.506 3.188 1.935) 7.499 11.419 ( 3.724 4.224 -2.833) 6.303 12.227 ( 1.204 -17.655 6.242) 18.764 12.293 ( -0.846 -15.485 3.626) 15.926 12.658 ( 4.636 3.360 5.102) 7.669 12.795 ( -0.006 4.958 -0.397) 4.974 13.190 ( 2.946 -2.019 6.208) 7.162 13.350 ( -0.718 -1.634 1.198) 2.149 13.669 ( -0.393 7.050 -2.233) 7.406 13.733 ( -1.066 4.094 -0.418) 4.251 13.907 ( -1.340 -1.381 -9.678) 9.868 13.967 ( -4.176 -3.061 -11.178) 12.319 19.404 ( 5.660 8.046 4.693) 10.900 19.548 ( 1.620 6.284 -1.148) 6.590 19.932 ( 3.261 -5.977 3.284) 7.560 20.036 ( 0.641 -4.722 -0.720) 4.819 20.269 ( -0.471 8.437 4.232) 9.450 20.512 ( -8.383 1.424 -6.409) 10.648 20.682 ( -10.395 -0.916 1.508) 10.544 20.739 ( -11.357 -0.674 -0.700) 11.399 22.435 ( 5.199 5.305 5.912) 9.493 22.553 ( 1.110 4.886 1.573) 5.252 22.965 ( 1.829 -7.696 2.521) 8.303 23.124 ( -3.922 -9.479 -3.706) 10.907 ======================= Grid point 274 (95/120) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -7.406 7.731 6.355) 12.450 3.290 ( 7.406 7.731 6.355) 12.450 3.788 ( -1.850 -5.746 11.360) 12.864 3.788 ( 1.850 -5.746 11.360) 12.864 3.997 ( -5.681 -2.335 1.176) 6.254 3.997 ( 5.681 -2.335 1.176) 6.254 4.198 ( -2.755 -4.101 -5.799) 7.618 4.198 ( 2.755 -4.101 -5.799) 7.618 4.851 ( -3.030 4.168 -0.732) 5.205 4.851 ( 3.030 4.168 -0.732) 5.205 5.131 ( -4.588 -6.864 4.650) 9.476 5.131 ( 4.588 -6.864 4.650) 9.476 6.191 ( -8.775 5.598 -4.709) 11.424 6.191 ( 8.775 5.598 -4.709) 11.425 6.328 ( -1.114 1.895 -9.011) 9.275 6.328 ( 1.114 1.895 -9.011) 9.275 6.786 ( -4.119 15.229 -5.530) 16.718 6.786 ( 4.119 15.229 -5.530) 16.718 7.117 ( -2.436 16.029 -1.854) 16.319 7.117 ( 2.436 16.029 -1.854) 16.319 8.030 ( -1.091 -15.633 3.093) 15.974 8.030 ( 1.091 -15.633 3.093) 15.974 8.226 ( -0.771 -14.367 -0.355) 14.392 8.226 ( 0.771 -14.367 -0.355) 14.392 8.614 ( -2.859 -1.261 5.940) 6.711 8.614 ( 2.859 -1.261 5.940) 6.711 8.744 ( -2.577 -5.453 0.978) 6.110 8.744 ( 2.577 -5.453 0.978) 6.110 9.233 ( -2.161 11.654 -5.207) 12.946 9.233 ( 2.161 11.654 -5.207) 12.946 9.578 ( -2.091 -0.992 -0.601) 2.391 9.578 ( 2.091 -0.992 -0.601) 2.391 10.799 ( -4.111 4.823 0.916) 6.403 10.799 ( 4.111 4.823 0.916) 6.403 10.926 ( -2.797 1.921 -5.366) 6.349 10.926 ( 2.797 1.921 -5.366) 6.349 11.433 ( -2.602 2.643 0.397) 3.730 11.433 ( 2.602 2.643 0.397) 3.730 12.263 ( -1.862 -17.798 5.061) 18.597 12.263 ( 1.862 -17.798 5.061) 18.597 12.749 ( -3.673 5.907 2.710) 7.465 12.749 ( 3.673 5.907 2.710) 7.465 13.284 ( -4.817 -2.664 5.054) 7.473 13.284 ( 4.817 -2.664 5.054) 7.473 13.698 ( -2.238 6.275 -3.587) 7.566 13.698 ( 2.238 6.275 -3.587) 7.566 13.903 ( -1.374 -2.874 -10.747) 11.209 13.903 ( 1.374 -2.874 -10.747) 11.209 19.513 ( -4.123 7.327 3.663) 9.170 19.513 ( 4.123 7.327 3.663) 9.170 20.020 ( -3.061 -7.952 0.138) 8.522 20.020 ( 3.061 -7.952 0.138) 8.522 20.335 ( -6.879 6.830 -1.677) 9.838 20.335 ( 6.879 6.830 -1.677) 9.838 20.586 ( -2.043 -0.274 -0.025) 2.061 20.586 ( 2.043 -0.274 -0.025) 2.061 22.531 ( -3.217 5.428 4.768) 7.909 22.531 ( 3.217 5.428 4.768) 7.909 23.031 ( -4.262 -9.180 -1.499) 10.232 23.031 ( 4.262 -9.180 -1.499) 10.232 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 0.000 -0.174 21.942) 21.942 2.810 ( 0.000 -1.993 28.163) 28.234 3.332 ( 0.000 10.241 19.286) 21.837 3.563 ( 0.000 -9.344 9.182) 13.101 3.735 ( 0.000 -2.733 -9.063) 9.466 3.799 ( 0.000 -5.940 -15.721) 16.806 4.193 ( 0.000 12.268 -12.907) 17.807 4.442 ( 0.000 -13.848 -16.487) 21.532 4.520 ( 0.000 2.942 -0.784) 3.045 4.582 ( 0.000 -2.724 1.153) 2.958 5.016 ( 0.000 2.166 -0.198) 2.175 5.060 ( 0.000 -1.104 2.693) 2.910 6.595 ( 0.000 25.859 12.170) 28.579 6.906 ( 0.000 -3.026 -0.220) 3.034 6.942 ( 0.000 10.238 2.170) 10.465 7.020 ( 0.000 -1.999 -5.302) 5.667 7.151 ( 0.000 14.000 -0.407) 14.006 7.449 ( 0.000 -7.285 -8.027) 10.840 7.681 ( 0.000 5.399 4.450) 6.996 7.773 ( 0.000 -0.864 1.482) 1.715 7.827 ( 0.000 3.736 3.699) 5.257 7.868 ( 0.000 -4.528 2.564) 5.203 7.912 ( 0.000 -10.714 7.505) 13.081 7.985 ( 0.000 -12.195 3.154) 12.596 8.367 ( 0.000 5.230 -3.153) 6.108 8.465 ( 0.000 -5.098 -4.987) 7.132 8.876 ( 0.000 9.269 -10.677) 14.140 8.901 ( 0.000 10.801 -13.014) 16.912 8.951 ( 0.000 -0.398 -2.149) 2.185 9.057 ( 0.000 -3.961 -8.900) 9.742 9.276 ( 0.000 -8.326 -0.349) 8.334 9.509 ( 0.000 -22.396 -11.702) 25.269 10.385 ( 0.000 5.852 8.479) 10.303 10.470 ( 0.000 -2.979 3.622) 4.689 10.605 ( 0.000 4.243 -3.422) 5.451 10.655 ( 0.000 -0.756 -5.635) 5.686 11.303 ( 0.000 5.346 -2.617) 5.952 11.341 ( 0.000 1.674 -4.902) 5.180 12.161 ( 0.000 0.424 2.915) 2.946 12.226 ( 0.000 -5.483 0.611) 5.517 12.382 ( 0.000 -0.216 4.999) 5.003 12.440 ( 0.000 -5.597 3.382) 6.540 13.280 ( 0.000 1.445 -0.803) 1.653 13.286 ( 0.000 0.406 -1.511) 1.565 13.810 ( 0.000 2.667 3.092) 4.083 13.839 ( 0.000 -0.343 3.399) 3.416 14.018 ( 0.000 2.769 -5.311) 5.989 14.084 ( 0.000 -3.717 -6.505) 7.492 19.316 ( 0.000 4.216 0.703) 4.275 19.338 ( 0.000 1.490 -0.305) 1.521 20.001 ( 0.000 2.217 1.749) 2.824 20.045 ( 0.000 -1.916 -0.266) 1.935 20.631 ( 0.000 10.338 9.061) 13.747 20.799 ( 0.000 -6.964 4.013) 8.038 21.242 ( 0.000 2.679 -4.190) 4.974 21.330 ( 0.000 -5.833 -5.331) 7.902 22.305 ( 0.000 1.356 1.890) 2.326 22.352 ( 0.000 -3.642 -0.561) 3.685 22.938 ( 0.000 4.545 4.088) 6.113 23.032 ( 0.000 -5.384 -0.383) 5.398 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 4.437 2.108 24.225) 24.718 2.904 ( 7.268 -4.662 22.785) 24.366 3.358 ( 2.989 10.736 16.085) 19.568 3.604 ( 3.637 -13.025 10.466) 17.100 3.743 ( 1.680 3.747 -13.946) 14.538 3.863 ( 4.059 -8.136 -9.185) 12.925 4.190 ( -0.309 11.987 -11.418) 16.558 4.432 ( -1.363 -13.307 -14.417) 19.667 4.539 ( 2.129 2.337 -0.268) 3.173 4.596 ( 1.926 -3.012 1.797) 4.001 5.014 ( 0.052 3.669 -1.009) 3.806 5.081 ( 1.552 -2.616 0.876) 3.166 6.546 ( -4.921 23.489 11.582) 26.648 6.811 ( -8.789 -4.962 -0.392) 10.101 6.956 ( 1.309 14.328 1.563) 14.472 6.980 ( -3.293 2.317 -4.743) 6.222 7.149 ( -1.125 10.326 -0.856) 10.423 7.433 ( -1.661 -6.286 -5.805) 8.716 7.535 ( -12.135 3.896 -1.147) 12.796 7.564 ( -14.736 -0.406 -4.536) 15.424 7.821 ( -0.063 -1.477 5.738) 5.926 7.858 ( -1.592 -3.678 5.616) 6.899 7.918 ( 0.429 -7.058 3.169) 7.748 8.012 ( 0.522 -12.282 1.863) 12.433 8.369 ( 1.834 4.987 -1.699) 5.579 8.504 ( 2.113 -8.457 -4.534) 9.826 8.787 ( -6.850 3.862 -2.200) 8.165 8.844 ( -6.383 -1.796 -2.596) 7.121 9.001 ( 8.077 11.510 -9.217) 16.813 9.137 ( 7.114 1.902 -11.216) 13.418 9.382 ( 6.400 -6.039 -0.943) 8.849 9.562 ( 3.296 -18.071 -8.882) 20.404 10.460 ( 6.449 6.137 7.257) 11.485 10.549 ( 5.948 -2.381 3.125) 7.129 10.674 ( 6.532 1.910 -4.211) 8.003 10.713 ( 5.020 -1.360 -5.194) 7.350 11.311 ( 0.992 6.352 -1.858) 6.692 11.359 ( 1.898 1.948 -4.551) 5.302 12.105 ( -4.097 -1.555 3.713) 5.743 12.168 ( -4.093 -7.193 1.093) 8.348 12.455 ( 5.985 2.083 5.124) 8.149 12.531 ( 6.949 -5.267 2.063) 8.960 13.260 ( -1.562 2.435 0.058) 2.894 13.294 ( 0.245 -0.922 -1.668) 1.922 13.802 ( -0.633 2.484 2.444) 3.542 13.825 ( -1.221 0.078 2.919) 3.165 14.002 ( -1.510 2.592 -5.791) 6.522 14.063 ( -1.893 -3.513 -6.961) 8.023 19.345 ( 2.813 4.858 1.116) 5.723 19.383 ( 4.024 0.789 -0.706) 4.161 19.977 ( -2.157 2.213 1.958) 3.658 20.025 ( -1.740 -2.275 -0.279) 2.877 20.586 ( -3.876 9.780 8.135) 13.299 20.746 ( -4.742 -6.612 3.238) 8.758 21.149 ( -8.171 2.068 -3.731) 9.217 21.223 ( -9.393 -5.176 -4.520) 11.638 22.338 ( 3.255 3.507 2.471) 5.385 22.408 ( 4.486 -3.549 -1.016) 5.809 22.931 ( -0.724 3.895 4.306) 5.851 23.032 ( -0.228 -6.524 -0.513) 6.548 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 9.324 4.525 20.999) 23.417 3.103 ( 11.075 -7.401 18.583) 22.864 3.479 ( 8.443 11.174 12.026) 18.460 3.718 ( 7.097 -13.425 5.691) 16.217 3.774 ( -0.199 6.484 -6.878) 9.454 3.914 ( -0.110 -8.168 -3.876) 9.041 4.185 ( 0.084 9.532 -10.146) 13.921 4.376 ( -3.813 -10.150 -10.939) 15.402 4.626 ( 6.063 1.644 0.836) 6.337 4.680 ( 5.974 -3.967 2.782) 7.692 5.020 ( 0.349 4.656 -2.736) 5.412 5.108 ( 0.714 -4.277 -1.446) 4.571 6.389 ( -8.920 16.298 6.819) 19.792 6.568 ( -12.808 -3.800 -2.563) 13.603 6.851 ( -10.450 9.427 -3.273) 14.450 6.966 ( -9.777 -0.313 1.344) 9.874 7.024 ( -3.442 18.760 -7.142) 20.367 7.258 ( -9.354 3.390 -5.867) 11.551 7.338 ( -3.019 2.460 -1.685) 4.244 7.413 ( -1.919 -2.307 -7.415) 7.999 7.811 ( -1.210 -3.743 2.513) 4.668 7.823 ( -1.274 -2.125 5.716) 6.230 7.928 ( 0.437 -8.887 2.048) 9.131 7.997 ( -1.480 -13.612 0.463) 13.700 8.442 ( 4.300 2.790 1.629) 5.378 8.545 ( 1.902 -7.733 -2.060) 8.226 8.681 ( -2.750 1.533 3.141) 4.447 8.732 ( -3.490 -4.085 2.013) 5.737 9.193 ( 8.780 12.433 -6.581) 16.583 9.292 ( 6.532 5.689 -8.900) 12.420 9.484 ( 3.144 -3.876 -0.741) 5.045 9.605 ( 0.543 -11.677 -5.937) 13.111 10.615 ( 7.280 4.679 4.674) 9.836 10.686 ( 6.688 -1.646 0.792) 6.933 10.824 ( 5.628 -1.002 -3.984) 6.968 10.842 ( 6.211 -1.804 -5.195) 8.295 11.363 ( 4.236 8.991 0.635) 9.960 11.436 ( 5.542 3.077 -3.231) 7.115 12.013 ( -4.418 -4.843 4.602) 8.010 12.082 ( -3.836 -10.237 1.519) 11.037 12.605 ( 7.813 4.781 5.030) 10.450 12.700 ( 8.593 -4.175 1.279) 9.638 13.211 ( -3.054 3.360 2.162) 5.029 13.290 ( -0.888 -3.996 -1.003) 4.214 13.788 ( -0.815 2.414 0.475) 2.592 13.795 ( -1.040 1.218 0.780) 1.782 13.958 ( -2.528 1.895 -6.794) 7.493 14.005 ( -3.471 -2.837 -8.005) 9.175 19.433 ( 5.289 6.201 1.851) 8.358 19.500 ( 6.710 -0.349 -1.401) 6.863 19.915 ( -3.537 1.965 2.604) 4.811 19.978 ( -2.511 -3.807 -0.407) 4.579 20.489 ( -4.632 8.507 5.833) 11.307 20.622 ( -6.185 -5.289 1.541) 8.282 20.928 ( -11.813 1.172 -2.883) 12.216 20.974 ( -12.997 -3.166 -2.818) 13.671 22.434 ( 5.417 5.783 3.027) 8.482 22.519 ( 5.704 -2.177 -1.068) 6.198 22.901 ( -2.145 2.076 4.513) 5.411 23.010 ( -2.157 -8.326 -0.587) 8.621 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 11.655 6.726 16.362) 21.184 3.353 ( 11.754 -6.942 14.422) 19.858 3.653 ( 0.232 7.485 10.236) 12.683 3.733 ( 1.245 5.313 4.941) 7.361 3.851 ( 0.014 -8.112 0.739) 8.146 3.913 ( 7.632 -8.314 -1.845) 11.436 4.180 ( -1.586 3.807 -8.855) 9.769 4.260 ( -7.485 -4.498 -8.114) 11.920 4.779 ( 7.833 2.354 1.650) 8.344 4.840 ( 8.513 -3.814 2.748) 9.725 5.017 ( -1.127 3.742 -2.312) 4.541 5.101 ( -1.790 -4.753 -1.524) 5.303 6.237 ( -3.576 8.448 -1.631) 9.318 6.332 ( -7.762 -2.017 -6.528) 10.341 6.548 ( -15.258 3.886 -7.320) 17.364 6.598 ( -17.616 -1.180 -8.859) 19.753 7.069 ( 2.990 19.292 -1.818) 19.607 7.161 ( -1.800 14.067 -5.233) 15.116 7.332 ( 0.912 2.803 -1.266) 3.208 7.380 ( -1.343 0.917 -4.154) 4.461 7.784 ( -0.864 -3.701 2.802) 4.722 7.799 ( -1.110 -4.011 3.195) 5.247 7.935 ( 0.328 -12.928 1.739) 13.048 7.966 ( -1.258 -14.844 0.655) 14.911 8.532 ( 3.989 1.266 4.725) 6.312 8.592 ( 2.577 -4.792 2.613) 6.036 8.646 ( -1.313 0.327 5.024) 5.203 8.686 ( -1.493 -4.044 4.441) 6.189 9.351 ( 5.913 10.458 -5.001) 13.013 9.400 ( 3.535 7.106 -6.226) 10.087 9.525 ( 0.994 -2.468 -1.618) 3.114 9.589 ( -1.832 -6.180 -4.456) 7.836 10.752 ( 5.526 3.226 1.843) 6.659 10.817 ( 5.261 -2.259 -1.589) 5.942 10.888 ( 0.486 -0.179 -3.351) 3.391 10.927 ( 1.509 -2.659 -5.037) 5.892 11.487 ( 6.798 12.148 2.954) 14.231 11.571 ( 5.736 7.968 -1.199) 9.890 11.929 ( -2.964 -11.227 5.181) 12.715 12.002 ( -3.883 -14.356 1.896) 14.993 12.774 ( 7.821 8.042 4.809) 12.205 12.877 ( 7.274 0.426 0.829) 7.334 13.135 ( -3.585 0.032 5.043) 6.187 13.243 ( -3.744 -8.247 1.376) 9.161 13.777 ( 0.453 3.876 -3.185) 5.037 13.794 ( 0.618 1.892 -2.444) 3.152 13.901 ( -2.647 0.414 -7.421) 7.889 13.923 ( -4.003 -1.865 -8.794) 9.841 19.558 ( 6.074 7.884 2.474) 10.255 19.646 ( 6.027 1.277 -1.850) 6.433 19.839 ( -2.936 -1.118 3.362) 4.602 19.922 ( -2.854 -6.881 -0.559) 7.470 20.422 ( -0.970 7.200 2.916) 7.828 20.516 ( -3.105 -2.239 -0.292) 3.840 20.677 ( -10.949 1.107 -1.216) 11.072 20.713 ( -10.709 -2.005 -1.695) 11.026 22.556 ( 5.808 7.091 3.353) 9.760 22.638 ( 4.878 1.464 -0.379) 5.107 22.843 ( -2.825 -2.275 3.948) 5.362 22.939 ( -4.319 -9.401 -0.416) 10.354 ======================= Grid point 283 (100/120) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( -8.744 9.227 10.889) 16.738 3.451 ( 8.744 9.227 10.889) 16.738 3.631 ( -8.092 -9.721 12.609) 17.859 3.631 ( 8.092 -9.721 12.609) 17.859 4.021 ( -8.695 3.744 -3.045) 9.945 4.021 ( 8.695 3.744 -3.045) 9.945 4.109 ( -4.281 -5.095 -5.338) 8.531 4.109 ( 4.281 -5.095 -5.338) 8.531 4.931 ( -5.133 4.425 -0.055) 6.777 4.931 ( 5.133 4.425 -0.055) 6.777 5.020 ( -5.496 -5.178 1.177) 7.642 5.020 ( 5.496 -5.178 1.177) 7.642 6.274 ( -3.261 3.653 -8.482) 9.794 6.274 ( 3.262 3.653 -8.482) 9.794 6.328 ( -1.269 -1.765 -9.206) 9.459 6.328 ( 1.269 -1.765 -9.206) 9.459 7.125 ( -2.063 19.205 -2.885) 19.529 7.125 ( 2.063 19.205 -2.885) 19.529 7.354 ( -1.092 2.434 -2.410) 3.595 7.354 ( 1.092 2.434 -2.410) 3.595 7.780 ( -0.491 -4.544 2.749) 5.334 7.780 ( 0.491 -4.544 2.749) 5.334 7.946 ( -0.688 -14.998 1.410) 15.080 7.946 ( 0.688 -14.998 1.410) 15.080 8.604 ( -2.588 0.688 6.048) 6.615 8.604 ( 2.588 0.688 6.048) 6.615 8.649 ( -2.181 -4.061 4.517) 6.454 8.649 ( 2.181 -4.061 4.517) 6.454 9.431 ( -1.104 8.790 -4.642) 10.002 9.431 ( 1.104 8.790 -4.642) 10.002 9.546 ( -1.583 -3.426 -3.335) 5.036 9.546 ( 1.583 -3.426 -3.335) 5.036 10.845 ( -2.995 2.596 -1.038) 4.097 10.845 ( 2.995 2.596 -1.038) 4.097 10.913 ( -2.423 -3.704 -3.768) 5.813 10.913 ( 2.423 -3.704 -3.768) 5.813 11.606 ( -3.034 14.807 2.017) 15.249 11.606 ( 3.034 14.807 2.017) 15.249 11.924 ( -2.709 -18.076 3.357) 18.584 11.924 ( 2.709 -18.076 3.357) 18.584 12.917 ( -4.481 11.394 2.946) 12.592 12.917 ( 4.481 11.394 2.946) 12.592 13.140 ( -4.792 -11.225 4.385) 12.969 13.140 ( 4.792 -11.225 4.385) 12.969 13.803 ( -0.866 4.572 -4.888) 6.749 13.803 ( 0.866 4.572 -4.888) 6.749 13.864 ( -0.273 -2.094 -8.079) 8.351 13.864 ( 0.273 -2.094 -8.079) 8.351 19.671 ( -3.798 9.274 1.639) 10.155 19.671 ( 3.798 9.274 1.639) 10.155 19.851 ( -3.616 -9.645 0.317) 10.305 19.851 ( 3.616 -9.645 0.317) 10.305 20.464 ( -4.303 6.235 -0.478) 7.590 20.464 ( 4.303 6.235 -0.478) 7.590 20.554 ( -2.862 -3.243 -0.175) 4.329 20.554 ( 2.862 -3.243 -0.175) 4.329 22.663 ( -3.336 8.602 2.805) 9.643 22.663 ( 3.336 8.602 2.805) 9.643 22.844 ( -3.694 -10.283 0.560) 10.941 22.844 ( 3.694 -10.283 0.560) 10.941 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 0.000 0.000 -23.099) 23.099 3.112 ( 0.000 0.000 23.099) 23.099 3.313 ( 0.000 0.000 -1.705) 1.705 3.313 ( 0.000 0.000 1.705) 1.705 3.922 ( 0.000 0.000 -13.399) 13.399 3.922 ( 0.000 0.000 13.399) 13.399 4.309 ( 0.000 0.000 -4.207) 4.207 4.309 ( 0.000 0.000 4.207) 4.207 5.039 ( 0.000 0.000 -17.439) 17.439 5.039 ( 0.000 0.000 17.439) 17.439 5.282 ( 0.000 0.000 -6.415) 6.415 5.282 ( 0.000 0.000 6.415) 6.415 5.361 ( 0.000 0.000 -15.463) 15.463 5.361 ( 0.000 0.000 15.463) 15.463 6.626 ( 0.000 0.000 -13.035) 13.035 6.626 ( 0.000 0.000 13.035) 13.035 7.295 ( 0.000 0.000 -1.884) 1.884 7.295 ( 0.000 0.000 1.884) 1.884 7.434 ( 0.000 0.000 -0.172) 0.172 7.434 ( 0.000 0.000 0.172) 0.172 7.905 ( 0.000 0.000 -9.937) 9.937 7.905 ( 0.000 0.000 9.937) 9.937 8.043 ( 0.000 0.000 -6.380) 6.380 8.043 ( 0.000 0.000 6.380) 6.380 8.583 ( 0.000 0.000 -0.328) 0.328 8.583 ( 0.000 0.000 0.328) 0.328 8.904 ( 0.000 0.000 -3.202) 3.202 8.904 ( 0.000 0.000 3.202) 3.202 9.285 ( 0.000 0.000 -4.460) 4.460 9.285 ( 0.000 0.000 4.460) 4.460 10.159 ( 0.000 0.000 -15.765) 15.765 10.159 ( 0.000 0.000 15.765) 15.765 10.240 ( 0.000 0.000 -4.415) 4.415 10.240 ( 0.000 0.000 4.415) 4.415 10.497 ( 0.000 0.000 -3.923) 3.923 10.497 ( 0.000 0.000 3.923) 3.923 10.871 ( 0.000 0.000 -3.129) 3.129 10.871 ( 0.000 0.000 3.129) 3.129 12.453 ( 0.000 0.000 -1.774) 1.774 12.453 ( 0.000 0.000 1.774) 1.774 12.693 ( 0.000 0.000 -0.271) 0.271 12.693 ( 0.000 0.000 0.271) 0.271 13.279 ( 0.000 0.000 -6.790) 6.790 13.279 ( 0.000 0.000 6.790) 6.790 13.759 ( 0.000 0.000 -6.420) 6.420 13.759 ( 0.000 0.000 6.420) 6.420 13.947 ( 0.000 0.000 -5.738) 5.738 13.947 ( 0.000 0.000 5.738) 5.738 19.040 ( 0.000 0.000 -6.390) 6.390 19.040 ( 0.000 0.000 6.390) 6.390 20.040 ( 0.000 0.000 -0.139) 0.139 20.040 ( 0.000 0.000 0.139) 0.139 20.574 ( 0.000 0.000 -18.217) 18.217 20.574 ( 0.000 0.000 18.217) 18.217 21.441 ( 0.000 0.000 -5.268) 5.268 21.441 ( 0.000 0.000 5.268) 5.268 22.435 ( 0.000 0.000 -6.292) 6.292 22.435 ( 0.000 0.000 6.292) 6.292 23.045 ( 0.000 0.000 -10.790) 10.790 23.045 ( 0.000 0.000 10.790) 10.790 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 7.050 0.000 -21.967) 23.071 3.188 ( 7.050 0.000 21.967) 23.071 3.271 ( -3.434 0.000 -6.417) 7.278 3.271 ( -3.434 0.000 6.417) 7.278 3.990 ( 5.732 0.000 -12.855) 14.075 3.990 ( 5.732 0.000 12.855) 14.075 4.334 ( 2.043 0.000 -3.948) 4.445 4.334 ( 2.043 0.000 3.948) 4.445 4.992 ( -4.373 0.000 -15.009) 15.634 4.992 ( -4.373 0.000 15.009) 15.634 5.305 ( 2.127 0.000 -6.256) 6.608 5.305 ( 2.127 0.000 6.256) 6.608 5.413 ( 4.873 0.000 -14.914) 15.690 5.413 ( 4.873 0.000 14.914) 15.690 6.582 ( -4.066 0.000 -11.868) 12.545 6.582 ( -4.066 0.000 11.868) 12.545 7.134 ( -13.377 0.000 -3.619) 13.858 7.134 ( -13.377 0.000 3.619) 13.858 7.315 ( -9.691 0.000 -8.255) 12.730 7.315 ( -9.691 0.000 8.255) 12.730 7.993 ( 6.922 0.000 -10.514) 12.588 7.993 ( 6.922 0.000 10.514) 12.588 8.132 ( 7.268 0.000 -4.503) 8.550 8.132 ( 7.268 0.000 4.503) 8.550 8.614 ( 2.665 0.000 -2.652) 3.759 8.614 ( 2.665 0.000 2.652) 3.759 8.908 ( 0.254 0.000 -4.046) 4.054 8.908 ( 0.254 0.000 4.046) 4.054 9.222 ( -5.973 0.000 -4.484) 7.469 9.222 ( -5.973 0.000 4.484) 7.469 9.965 ( -10.730 0.000 -9.936) 14.623 9.965 ( -10.730 0.000 9.936) 14.623 10.296 ( 4.500 0.000 -4.504) 6.367 10.296 ( 4.500 0.000 4.504) 6.367 10.758 ( 17.009 0.000 -4.516) 17.598 10.758 ( 17.009 0.000 4.516) 17.598 10.868 ( -0.078 0.000 -3.209) 3.210 10.868 ( -0.078 0.000 3.209) 3.210 12.509 ( 5.039 0.000 -2.656) 5.696 12.509 ( 5.039 0.000 2.656) 5.696 12.701 ( 0.709 0.000 -0.733) 1.020 12.701 ( 0.709 0.000 0.733) 1.020 13.259 ( -1.889 0.000 -6.544) 6.811 13.259 ( -1.889 0.000 6.544) 6.811 13.707 ( -4.479 0.000 -7.074) 8.372 13.707 ( -4.479 0.000 7.074) 8.372 13.957 ( 0.634 0.000 -6.068) 6.101 13.957 ( 0.634 0.000 6.068) 6.101 19.086 ( 4.235 0.000 -6.702) 7.928 19.086 ( 4.235 0.000 6.702) 7.928 20.029 ( -0.785 0.000 -0.537) 0.951 20.029 ( -0.785 0.000 0.537) 0.951 20.533 ( -3.812 0.000 -17.554) 17.963 20.533 ( -3.812 0.000 17.554) 17.963 21.343 ( -9.400 0.000 -4.779) 10.545 21.343 ( -9.400 0.000 4.779) 10.545 22.386 ( -2.564 0.000 -5.752) 6.298 22.386 ( -2.564 0.000 5.752) 6.298 23.116 ( 4.947 0.000 -9.696) 10.885 23.116 ( 4.947 0.000 9.696) 10.885 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( -3.534 0.000 -7.553) 8.339 3.192 ( -3.534 0.000 7.553) 8.339 3.402 ( 12.657 0.000 -18.699) 22.580 3.402 ( 12.657 0.000 18.699) 22.580 4.132 ( 6.979 0.000 -10.666) 12.747 4.132 ( 6.979 0.000 10.666) 12.747 4.371 ( 0.562 0.000 -3.241) 3.290 4.371 ( 0.562 0.000 3.241) 3.290 4.865 ( -6.908 0.000 -9.268) 11.559 4.865 ( -6.908 0.000 9.268) 11.559 5.375 ( 4.457 0.000 -6.140) 7.588 5.375 ( 4.457 0.000 6.140) 7.588 5.563 ( 9.095 0.000 -13.433) 16.222 5.563 ( 9.095 0.000 13.433) 16.222 6.460 ( -7.268 0.000 -8.832) 11.438 6.460 ( -7.268 0.000 8.832) 11.438 6.806 ( -16.045 0.000 -5.116) 16.840 6.806 ( -16.045 0.000 5.116) 16.841 7.074 ( -12.108 0.000 -9.406) 15.332 7.074 ( -12.108 0.000 9.406) 15.332 8.160 ( 8.439 0.000 -9.593) 12.777 8.160 ( 8.439 0.000 9.593) 12.777 8.315 ( 9.451 0.000 -2.485) 9.772 8.315 ( 9.451 0.000 2.485) 9.772 8.683 ( 3.420 0.000 -3.660) 5.009 8.683 ( 3.420 0.000 3.660) 5.009 8.904 ( -0.865 0.000 -4.992) 5.067 8.904 ( -0.865 0.000 4.992) 5.067 9.042 ( -10.264 0.000 -4.657) 11.271 9.042 ( -10.264 0.000 4.657) 11.271 9.797 ( -5.087 0.000 -5.621) 7.581 9.797 ( -5.087 0.000 5.621) 7.581 10.390 ( 3.702 0.000 -4.243) 5.631 10.390 ( 3.702 0.000 4.243) 5.631 10.877 ( 0.998 0.000 -3.092) 3.249 10.877 ( 0.998 0.000 3.092) 3.249 11.106 ( 14.862 0.000 -4.234) 15.453 11.106 ( 14.862 0.000 4.234) 15.453 12.651 ( 7.773 0.000 -4.185) 8.827 12.651 ( 7.773 0.000 4.185) 8.827 12.722 ( 1.218 0.000 -1.238) 1.737 12.722 ( 1.218 0.000 1.238) 1.737 13.203 ( -3.128 0.000 -5.672) 6.477 13.203 ( -3.128 0.000 5.672) 6.477 13.590 ( -6.117 0.000 -7.321) 9.541 13.590 ( -6.117 0.000 7.321) 9.541 13.964 ( 0.043 0.000 -5.419) 5.419 13.964 ( 0.043 0.000 5.419) 5.419 19.210 ( 7.053 0.000 -7.141) 10.037 19.210 ( 7.053 0.000 7.141) 10.037 20.023 ( 0.662 0.000 -0.962) 1.167 20.023 ( 0.662 0.000 0.962) 1.167 20.420 ( -6.464 0.000 -15.326) 16.633 20.420 ( -6.464 0.000 15.326) 16.633 21.063 ( -15.764 0.000 -2.631) 15.982 21.063 ( -15.764 0.000 2.631) 15.982 22.384 ( 2.444 0.000 -5.396) 5.923 22.384 ( 2.444 0.000 5.396) 5.923 23.195 ( 1.865 0.000 -8.419) 8.623 23.195 ( 1.865 0.000 8.419) 8.623 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( -2.037 0.000 -4.862) 5.272 3.132 ( -2.037 0.000 4.862) 5.272 3.702 ( 14.901 0.000 -13.422) 20.055 3.702 ( 14.901 0.000 13.422) 20.055 4.261 ( 4.687 0.000 -6.392) 7.926 4.261 ( 4.687 0.000 6.392) 7.926 4.308 ( -7.259 0.000 -2.600) 7.711 4.308 ( -7.259 0.000 2.600) 7.711 4.745 ( -3.439 0.000 -3.283) 4.754 4.745 ( -3.439 0.000 3.283) 4.754 5.484 ( 5.293 0.000 -4.533) 6.969 5.484 ( 5.293 0.000 4.533) 6.969 5.788 ( 11.711 0.000 -11.389) 16.336 5.788 ( 11.711 0.000 11.389) 16.336 6.279 ( -9.679 0.000 -7.103) 12.006 6.279 ( -9.679 0.000 7.103) 12.006 6.499 ( -11.852 0.000 -4.501) 12.678 6.499 ( -11.852 0.000 4.501) 12.678 6.840 ( -8.941 0.000 -6.990) 11.349 6.840 ( -8.941 0.000 6.990) 11.349 8.343 ( 8.577 0.000 -7.885) 11.651 8.343 ( 8.577 0.000 7.885) 11.651 8.516 ( 9.130 0.000 -2.285) 9.412 8.516 ( 9.130 0.000 2.285) 9.412 8.738 ( 1.065 0.000 -5.280) 5.386 8.738 ( 1.065 0.000 5.280) 5.386 8.818 ( -10.224 0.000 -5.176) 11.459 8.818 ( -10.224 0.000 5.176) 11.459 8.867 ( -2.309 0.000 -4.914) 5.430 8.867 ( -2.309 0.000 4.914) 5.430 9.729 ( -1.738 0.000 -2.429) 2.987 9.729 ( -1.738 0.000 2.429) 2.987 10.444 ( 1.467 0.000 -2.673) 3.049 10.444 ( 1.467 0.000 2.673) 3.049 10.903 ( 1.079 0.000 -2.010) 2.281 10.903 ( 1.079 0.000 2.010) 2.281 11.361 ( 8.621 0.000 -2.522) 8.982 11.361 ( 8.621 0.000 2.522) 8.982 12.749 ( 1.187 0.000 -1.207) 1.693 12.749 ( 1.187 0.000 1.207) 1.693 12.810 ( 6.443 0.000 -4.319) 7.757 12.810 ( 6.443 0.000 4.319) 7.757 13.137 ( -2.758 0.000 -3.678) 4.597 13.137 ( -2.758 0.000 3.678) 4.597 13.466 ( -5.016 0.000 -5.804) 7.672 13.466 ( -5.016 0.000 5.804) 7.672 13.961 ( -0.237 0.000 -3.291) 3.299 13.961 ( -0.237 0.000 3.291) 3.299 19.362 ( 6.472 0.000 -5.918) 8.770 19.362 ( 6.472 0.000 5.918) 8.770 20.068 ( 3.407 0.000 -1.103) 3.581 20.068 ( 3.407 0.000 1.103) 3.581 20.279 ( -6.062 0.000 -10.293) 11.945 20.279 ( -6.062 0.000 10.293) 11.945 20.734 ( -13.679 0.000 -1.218) 13.733 20.734 ( -13.679 0.000 1.218) 13.733 22.461 ( 3.806 0.000 -3.664) 5.283 22.461 ( 3.806 0.000 3.665) 5.283 23.198 ( -1.006 0.000 -5.507) 5.598 23.198 ( -1.006 0.000 5.507) 5.598 ======================= Grid point 323 (105/120) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 0.000 0.000 -0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.946 ( -0.000 0.000 -0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 -0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 6.017 ( -0.000 0.000 -0.000) 0.000 6.017 ( -0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 -0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 -0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 8.477 ( -0.000 0.000 -0.000) 0.000 8.477 ( 0.000 0.000 0.000) 0.000 8.666 ( 0.000 0.000 -0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 8.669 ( -0.000 0.000 -0.000) 0.000 8.669 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 -0.000) 0.000 8.700 ( 0.000 0.000 0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 10.459 ( 0.000 0.000 0.000) 0.000 10.459 ( 0.000 0.000 0.000) 0.000 10.915 ( 0.000 0.000 0.000) 0.000 10.915 ( 0.000 0.000 0.000) 0.000 11.455 ( 0.000 0.000 -0.000) 0.000 11.455 ( 0.000 0.000 0.000) 0.000 12.764 ( 0.000 0.000 0.000) 0.000 12.764 ( 0.000 0.000 0.000) 0.000 12.887 ( 0.000 0.000 0.000) 0.000 12.887 ( 0.000 0.000 0.000) 0.000 13.104 ( 0.000 0.000 0.000) 0.000 13.104 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 -0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 13.958 ( 0.000 0.000 -0.000) 0.000 13.958 ( 0.000 0.000 0.000) 0.000 19.441 ( 0.000 0.000 -0.000) 0.000 19.441 ( 0.000 0.000 0.000) 0.000 20.125 ( 0.000 0.000 0.000) 0.000 20.125 ( 0.000 0.000 0.000) 0.000 20.205 ( -0.000 0.000 -0.000) 0.000 20.205 ( 0.000 0.000 0.000) 0.000 20.564 ( 0.000 0.000 0.000) 0.000 20.564 ( 0.000 0.000 0.000) 0.000 22.508 ( 0.000 0.000 0.000) 0.000 22.508 ( 0.000 0.000 0.000) 0.000 23.181 ( 0.000 0.000 0.000) 0.000 23.181 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 0.000 2.016 -21.349) 21.444 3.133 ( 0.000 2.016 21.349) 21.444 3.346 ( 0.000 3.320 -0.643) 3.382 3.346 ( 0.000 3.320 0.643) 3.382 3.834 ( 0.000 -7.892 -10.900) 13.457 3.834 ( 0.000 -7.892 10.900) 13.457 4.358 ( 0.000 4.502 -1.103) 4.635 4.358 ( 0.000 4.502 1.103) 4.635 4.748 ( 0.000 -20.001 -16.356) 25.837 4.748 ( 0.000 -20.001 16.356) 25.837 5.211 ( 0.000 -3.688 -4.883) 6.119 5.211 ( 0.000 -3.688 4.883) 6.119 5.767 ( 0.000 28.331 -13.776) 31.502 5.767 ( 0.000 28.331 13.776) 31.502 6.729 ( 0.000 9.660 -11.040) 14.669 6.729 ( 0.000 9.660 11.040) 14.669 7.208 ( 0.000 -4.632 -4.000) 6.120 7.208 ( 0.000 -4.632 4.000) 6.120 7.558 ( 0.000 8.237 -2.263) 8.542 7.558 ( 0.000 8.237 2.263) 8.542 7.921 ( 0.000 1.221 -9.699) 9.775 7.921 ( 0.000 1.221 9.699) 9.775 8.071 ( 0.000 3.683 -6.603) 7.561 8.071 ( 0.000 3.683 6.603) 7.561 8.549 ( 0.000 -3.589 -2.143) 4.181 8.549 ( 0.000 -3.589 2.143) 4.181 8.793 ( 0.000 -10.822 -5.009) 11.925 8.793 ( 0.000 -10.822 5.009) 11.925 9.217 ( 0.000 -6.464 -4.697) 7.990 9.217 ( 0.000 -6.464 4.697) 7.990 10.024 ( 0.000 -13.302 -12.451) 18.220 10.024 ( 0.000 -13.302 12.451) 18.220 10.325 ( 0.000 6.942 -7.009) 9.865 10.325 ( 0.000 6.942 7.009) 9.865 10.465 ( 0.000 -0.580 -2.531) 2.596 10.465 ( 0.000 -0.580 2.531) 2.596 10.987 ( 0.000 9.542 -2.109) 9.772 10.987 ( 0.000 9.542 2.109) 9.772 12.422 ( 0.000 -3.584 -0.237) 3.592 12.422 ( 0.000 -3.584 0.237) 3.592 12.627 ( 0.000 -5.888 -0.796) 5.941 12.627 ( 0.000 -5.888 0.796) 5.941 13.273 ( 0.000 -0.500 -4.748) 4.774 13.273 ( 0.000 -0.500 4.748) 4.774 13.783 ( 0.000 2.262 -6.071) 6.479 13.783 ( 0.000 2.262 6.071) 6.479 13.960 ( 0.000 1.143 -6.563) 6.662 13.960 ( 0.000 1.143 6.563) 6.662 19.097 ( 0.000 5.649 -5.174) 7.660 19.097 ( 0.000 5.649 5.174) 7.660 20.043 ( 0.000 0.164 -0.859) 0.874 20.043 ( 0.000 0.164 0.859) 0.874 20.600 ( 0.000 2.791 -16.505) 16.739 20.600 ( 0.000 2.791 16.505) 16.739 21.415 ( 0.000 -2.825 -5.410) 6.103 21.415 ( 0.000 -2.825 5.410) 6.103 22.414 ( 0.000 -2.059 -5.497) 5.870 22.414 ( 0.000 -2.059 5.497) 5.870 23.036 ( 0.000 -0.819 -9.753) 9.788 23.036 ( 0.000 -0.819 9.753) 9.788 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 4.255 0.370 -16.459) 17.004 3.187 ( 4.255 0.370 16.459) 17.004 3.328 ( -0.361 5.306 -3.360) 6.291 3.328 ( -0.361 5.306 3.360) 6.291 3.901 ( 5.699 -7.959 -11.736) 15.283 3.901 ( 5.699 -7.959 11.736) 15.283 4.375 ( 1.169 3.292 -2.410) 4.244 4.375 ( 1.169 3.292 2.410) 4.244 4.749 ( 0.092 -17.270 -13.834) 22.128 4.749 ( 0.092 -17.270 13.834) 22.128 5.229 ( 1.768 -4.773 -5.296) 7.345 5.229 ( 1.768 -4.773 5.296) 7.345 5.771 ( 0.501 26.818 -13.645) 30.094 5.771 ( 0.501 26.818 13.645) 30.094 6.687 ( -3.842 9.611 -9.798) 14.253 6.687 ( -3.842 9.611 9.798) 14.253 7.098 ( -9.891 -1.549 -5.158) 11.262 7.098 ( -9.891 -1.549 5.158) 11.262 7.385 ( -12.807 5.495 -6.417) 15.342 7.385 ( -12.807 5.495 6.417) 15.342 7.970 ( 4.282 -1.880 -7.814) 9.106 7.970 ( 4.282 -1.880 7.814) 9.106 8.193 ( 8.881 5.433 -6.085) 12.059 8.193 ( 8.881 5.433 6.085) 12.059 8.589 ( 3.438 -2.431 -3.405) 5.415 8.589 ( 3.438 -2.431 3.405) 5.415 8.784 ( -1.133 -11.835 -5.944) 13.293 8.784 ( -1.133 -11.835 5.944) 13.293 9.160 ( -4.660 -5.967 -4.360) 8.736 9.160 ( -4.660 -5.967 4.360) 8.736 9.905 ( -7.921 -6.650 -9.158) 13.814 9.905 ( -7.921 -6.650 9.158) 13.814 10.373 ( 5.157 6.703 -4.940) 9.795 10.373 ( 5.157 6.703 4.940) 9.795 10.658 ( 12.289 -4.888 -1.201) 13.280 10.658 ( 12.289 -4.888 1.201) 13.280 11.003 ( 2.246 9.167 -1.893) 9.626 11.003 ( 2.246 9.167 1.893) 9.626 12.462 ( 3.427 -5.434 -0.754) 6.468 12.462 ( 3.427 -5.434 0.754) 6.468 12.643 ( 1.513 -4.800 -2.083) 5.447 12.643 ( 1.513 -4.800 2.083) 5.447 13.259 ( -1.242 0.143 -4.691) 4.855 13.259 ( -1.242 0.143 4.691) 4.855 13.748 ( -3.175 3.616 -6.159) 7.816 13.748 ( -3.175 3.616 6.159) 7.816 13.955 ( -0.518 -0.141 -6.418) 6.440 13.955 ( -0.518 -0.141 6.418) 6.440 19.140 ( 4.006 5.414 -5.566) 8.737 19.140 ( 4.006 5.414 5.566) 8.737 20.031 ( -0.879 0.059 -1.072) 1.387 20.031 ( -0.879 0.059 1.072) 1.387 20.556 ( -3.986 2.564 -15.886) 16.578 20.556 ( -3.986 2.564 15.886) 16.578 21.315 ( -9.367 -2.927 -4.840) 10.943 21.315 ( -9.367 -2.927 4.840) 10.943 22.384 ( -1.367 -0.164 -5.496) 5.666 22.384 ( -1.367 -0.164 5.496) 5.666 23.094 ( 4.030 -2.244 -9.033) 10.142 23.094 ( 4.030 -2.244 9.033) 10.142 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( -1.234 2.438 -8.565) 8.990 3.218 ( -1.234 2.438 8.565) 8.990 3.440 ( 10.771 4.100 -15.898) 19.636 3.440 ( 10.771 4.100 15.898) 19.636 4.044 ( 7.080 -7.861 -10.415) 14.846 4.044 ( 7.080 -7.861 10.415) 14.846 4.379 ( -1.557 -0.924 -5.131) 5.441 4.379 ( -1.557 -0.924 5.131) 5.441 4.751 ( 0.077 -8.094 -7.292) 10.895 4.751 ( 0.077 -8.094 7.292) 10.895 5.286 ( 3.387 -7.549 -5.651) 10.019 5.286 ( 3.387 -7.549 5.651) 10.019 5.800 ( 2.598 20.757 -12.805) 24.527 5.800 ( 2.598 20.757 12.805) 24.527 6.570 ( -7.120 8.988 -6.841) 13.352 6.570 ( -7.120 8.988 6.841) 13.352 6.828 ( -14.145 3.691 -7.225) 16.307 6.828 ( -14.145 3.691 7.225) 16.307 7.110 ( -12.069 3.611 -8.493) 15.193 7.110 ( -12.069 3.611 8.493) 15.193 8.088 ( 6.468 -5.590 -6.002) 10.445 8.088 ( 6.468 -5.590 6.002) 10.445 8.387 ( 8.838 3.847 -3.708) 10.327 8.387 ( 8.838 3.847 3.708) 10.327 8.672 ( 3.391 -1.517 -4.591) 5.906 8.672 ( 3.391 -1.517 4.591) 5.906 8.733 ( -3.263 -12.298 -6.445) 14.263 8.733 ( -3.263 -12.298 6.445) 14.263 9.060 ( -4.063 -0.913 -2.199) 4.710 9.060 ( -4.063 -0.913 2.199) 4.710 9.759 ( -5.495 -3.327 -5.147) 8.231 9.759 ( -5.495 -3.327 5.147) 8.231 10.495 ( 5.303 8.862 -3.990) 11.071 10.495 ( 5.303 8.862 3.990) 11.071 10.838 ( 3.937 -3.152 -2.065) 5.450 10.838 ( 3.937 -3.152 2.065) 5.450 11.139 ( 10.371 3.268 -2.946) 11.266 11.139 ( 10.371 3.268 2.946) 11.266 12.546 ( 3.986 -10.429 -1.468) 11.261 12.546 ( 3.986 -10.429 1.468) 11.261 12.691 ( 2.783 -2.287 -3.440) 4.981 12.691 ( 2.783 -2.287 3.440) 4.981 13.231 ( -0.978 2.520 -4.576) 5.315 13.231 ( -0.978 2.520 4.576) 5.315 13.659 ( -4.911 6.030 -6.168) 9.926 13.659 ( -4.911 6.030 6.168) 9.926 13.937 ( -1.115 -2.554 -5.512) 6.177 13.937 ( -1.115 -2.554 5.512) 6.177 19.257 ( 6.618 4.753 -6.202) 10.240 19.257 ( 6.618 4.753 6.202) 10.240 20.022 ( 0.427 -0.425 -1.593) 1.703 20.022 ( 0.427 -0.425 1.593) 1.703 20.440 ( -6.601 2.253 -13.849) 15.506 20.440 ( -6.601 2.253 13.849) 15.506 21.043 ( -15.100 -2.096 -2.759) 15.492 21.043 ( -15.100 -2.096 2.759) 15.492 22.399 ( 2.787 1.550 -5.262) 6.153 22.399 ( 2.787 1.550 5.262) 6.153 23.157 ( 1.382 -3.842 -7.942) 8.930 23.157 ( 1.382 -3.842 7.942) 8.930 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( -0.999 5.917 -5.648) 8.240 3.190 ( -0.999 5.917 5.648) 8.240 3.714 ( 13.884 1.270 -12.214) 18.535 3.714 ( 13.884 1.270 12.214) 18.535 4.170 ( 3.596 -7.477 -5.255) 9.821 4.170 ( 3.596 -7.477 5.255) 9.821 4.289 ( -6.327 -3.601 -5.210) 8.952 4.289 ( -6.327 -3.601 5.210) 8.952 4.755 ( 0.283 1.310 -2.071) 2.467 4.755 ( 0.283 1.310 2.071) 2.467 5.358 ( 2.975 -10.623 -4.533) 11.927 5.358 ( 2.975 -10.623 4.533) 11.927 5.902 ( 7.418 10.610 -9.725) 16.192 5.902 ( 7.418 10.610 9.725) 16.192 6.380 ( -11.175 6.483 -2.737) 13.206 6.380 ( -11.175 6.483 2.737) 13.206 6.560 ( -9.441 7.853 -6.616) 13.949 6.560 ( -9.441 7.853 6.616) 13.949 6.903 ( -6.872 7.282 -6.070) 11.709 6.903 ( -6.872 7.282 6.070) 11.709 8.232 ( 6.885 -8.994 -4.451) 12.170 8.232 ( 6.885 -8.994 4.451) 12.170 8.518 ( 0.180 -8.797 -0.995) 8.855 8.518 ( 0.180 -8.797 0.995) 8.855 8.655 ( 1.310 -2.453 -4.959) 5.686 8.655 ( 1.310 -2.453 4.959) 5.686 8.755 ( 1.963 0.023 -3.816) 4.291 8.755 ( 1.963 0.023 3.816) 4.291 8.990 ( -2.758 6.241 -0.809) 6.871 8.990 ( -2.758 6.241 0.809) 6.871 9.672 ( -2.724 -4.245 -2.061) 5.449 9.672 ( -2.724 -4.245 2.061) 5.449 10.578 ( 2.477 11.648 -2.544) 12.177 10.578 ( 2.477 11.648 2.544) 12.177 10.883 ( 1.095 -1.822 -2.032) 2.940 10.883 ( 1.095 -1.822 2.032) 2.940 11.350 ( 7.857 -0.819 -2.252) 8.215 11.350 ( 7.857 -0.819 2.252) 8.215 12.620 ( 2.891 -14.370 -1.282) 14.714 12.620 ( 2.891 -14.370 1.282) 14.714 12.737 ( 0.981 -2.110 -2.718) 3.578 12.737 ( 0.981 -2.110 2.718) 3.578 13.235 ( 1.460 6.742 -4.257) 8.106 13.235 ( 1.460 6.742 4.257) 8.106 13.552 ( -4.725 7.606 -5.355) 10.434 13.552 ( -4.725 7.606 5.355) 10.434 13.913 ( -0.992 -4.626 -3.306) 5.771 13.913 ( -0.992 -4.626 3.306) 5.771 19.398 ( 5.897 3.743 -5.252) 8.739 19.398 ( 5.897 3.743 5.252) 8.739 20.063 ( 3.612 -1.301 -1.937) 4.301 20.063 ( 3.612 -1.301 1.937) 4.301 20.294 ( -6.662 2.266 -9.553) 11.864 20.294 ( -6.662 2.266 9.553) 11.864 20.732 ( -12.744 -0.361 -1.328) 12.818 20.732 ( -12.744 -0.361 1.328) 12.818 22.478 ( 3.795 1.861 -3.616) 5.563 22.478 ( 3.795 1.861 3.616) 5.563 23.154 ( -1.173 -4.558 -5.247) 7.049 23.154 ( -1.173 -4.558 5.247) 7.049 ======================= Grid point 341 (110/120) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 0.000 7.157 -0.000) 7.157 3.179 ( 0.000 7.157 0.000) 7.157 3.943 ( -0.000 -0.267 -0.000) 0.267 3.943 ( 0.000 -0.267 0.000) 0.267 4.104 ( 0.000 -3.819 -0.000) 3.819 4.104 ( 0.000 -3.819 0.000) 3.819 4.250 ( 0.000 -6.102 0.000) 6.102 4.250 ( 0.000 -6.102 0.000) 6.102 4.759 ( 0.000 4.018 0.000) 4.018 4.759 ( 0.000 4.018 0.000) 4.018 5.393 ( 0.000 -12.483 0.000) 12.483 5.393 ( 0.000 -12.483 0.000) 12.483 6.088 ( -0.000 1.408 -0.000) 1.408 6.088 ( -0.000 1.408 0.000) 1.408 6.145 ( 0.000 8.389 0.000) 8.389 6.145 ( 0.000 8.389 0.000) 8.389 6.461 ( 0.000 10.562 0.000) 10.562 6.461 ( 0.000 10.562 0.000) 10.562 6.830 ( 0.000 10.130 0.000) 10.130 6.830 ( 0.000 10.130 0.000) 10.130 8.341 ( -0.000 -12.270 -0.000) 12.270 8.341 ( 0.000 -12.270 0.000) 12.270 8.455 ( 0.000 -11.974 0.000) 11.974 8.455 ( 0.000 -11.974 0.000) 11.974 8.728 ( -0.000 0.869 -0.000) 0.869 8.728 ( -0.000 0.869 0.000) 0.869 8.756 ( 0.000 -0.272 0.000) 0.272 8.756 ( 0.000 -0.272 0.000) 0.272 8.954 ( 0.000 11.113 0.000) 11.113 8.954 ( 0.000 11.113 0.000) 11.113 9.643 ( 0.000 -5.175 0.000) 5.175 9.643 ( 0.000 -5.175 0.000) 5.175 10.603 ( 0.000 12.776 0.000) 12.776 10.603 ( 0.000 12.776 0.000) 12.776 10.894 ( 0.000 -2.053 0.000) 2.053 10.894 ( 0.000 -2.053 0.000) 2.053 11.438 ( 0.000 -1.574 -0.000) 1.574 11.438 ( 0.000 -1.574 0.000) 1.574 12.657 ( 0.000 -17.085 0.000) 17.085 12.657 ( 0.000 -17.085 0.000) 17.085 12.739 ( 0.000 -1.141 -0.000) 1.141 12.739 ( 0.000 -1.141 0.000) 1.141 13.264 ( 0.000 9.234 0.000) 9.234 13.264 ( 0.000 9.234 0.000) 9.234 13.491 ( 0.000 7.716 -0.000) 7.716 13.491 ( 0.000 7.716 0.000) 7.716 13.901 ( 0.000 -5.463 -0.000) 5.463 13.901 ( 0.000 -5.463 0.000) 5.463 19.469 ( 0.000 3.028 -0.000) 3.028 19.469 ( 0.000 3.028 0.000) 3.028 20.151 ( 0.000 -5.405 -0.000) 5.405 20.151 ( 0.000 -5.405 0.000) 5.405 20.181 ( -0.000 5.691 -0.000) 5.691 20.181 ( -0.000 5.691 0.000) 5.691 20.577 ( 0.000 1.002 0.000) 1.002 20.577 ( 0.000 1.002 0.000) 1.002 22.525 ( 0.000 1.865 0.000) 1.865 22.525 ( 0.000 1.865 0.000) 1.865 23.136 ( 0.000 -4.765 0.000) 4.765 23.136 ( 0.000 -4.765 0.000) 4.765 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( 0.000 2.306 -17.401) 17.553 3.176 ( 0.000 2.306 17.401) 17.553 3.421 ( 0.000 3.606 -5.933) 6.943 3.421 ( 0.000 3.606 5.933) 6.943 3.691 ( 0.000 -5.359 -1.388) 5.536 3.691 ( 0.000 -5.359 1.388) 5.536 4.389 ( 0.000 -16.122 -16.950) 23.393 4.389 ( 0.000 -16.122 16.950) 23.393 4.465 ( 0.000 4.918 -3.211) 5.873 4.465 ( 0.000 4.918 3.211) 5.873 5.126 ( 0.000 -5.166 -1.647) 5.422 5.126 ( 0.000 -5.166 1.647) 5.422 6.327 ( 0.000 30.340 -12.911) 32.973 6.327 ( 0.000 30.340 12.911) 32.973 6.894 ( 0.000 5.041 -6.105) 7.917 6.894 ( 0.000 5.041 6.105) 7.917 7.200 ( 0.000 4.710 -8.390) 9.622 7.200 ( 0.000 4.710 8.390) 9.622 7.672 ( 0.000 3.685 -3.059) 4.789 7.672 ( 0.000 3.685 3.059) 4.789 7.922 ( 0.000 -1.544 -5.958) 6.155 7.922 ( 0.000 -1.544 5.958) 6.155 8.190 ( 0.000 5.538 -4.426) 7.090 8.190 ( 0.000 5.538 4.426) 7.090 8.431 ( 0.000 -8.691 -7.866) 11.722 8.431 ( 0.000 -8.691 7.866) 11.722 8.603 ( 0.000 -4.464 -8.762) 9.833 8.603 ( 0.000 -4.464 8.762) 9.833 9.076 ( 0.000 -7.769 -4.279) 8.870 9.076 ( 0.000 -7.769 4.279) 8.870 9.699 ( 0.000 -20.027 -9.812) 22.301 9.699 ( 0.000 -20.027 9.812) 22.301 10.457 ( 0.000 6.244 -7.616) 9.848 10.457 ( 0.000 6.244 7.616) 9.848 10.492 ( 0.000 2.620 -0.598) 2.687 10.492 ( 0.000 2.620 0.598) 2.687 11.164 ( 0.000 8.559 -1.819) 8.750 11.164 ( 0.000 8.559 1.819) 8.750 12.316 ( 0.000 -6.933 -2.949) 7.534 12.316 ( 0.000 -6.933 2.949) 7.534 12.523 ( 0.000 -4.649 -3.206) 5.647 12.523 ( 0.000 -4.649 3.206) 5.647 13.267 ( 0.000 -0.081 -1.376) 1.379 13.267 ( 0.000 -0.081 1.376) 1.379 13.832 ( 0.000 2.694 -4.576) 5.310 13.832 ( 0.000 2.694 4.576) 5.310 13.976 ( 0.000 0.364 -6.407) 6.417 13.976 ( 0.000 0.364 6.407) 6.417 19.225 ( 0.000 7.114 -2.591) 7.571 19.225 ( 0.000 7.114 2.591) 7.571 20.041 ( 0.000 -0.422 -1.939) 1.984 20.041 ( 0.000 -0.422 1.939) 1.984 20.679 ( 0.000 5.545 -12.147) 13.353 20.679 ( 0.000 5.545 12.147) 13.353 21.336 ( 0.000 -5.401 -5.484) 7.698 21.336 ( 0.000 -5.401 5.484) 7.698 22.369 ( 0.000 -2.389 -3.487) 4.227 22.369 ( 0.000 -2.389 3.487) 4.227 23.018 ( 0.000 -1.022 -6.813) 6.889 23.018 ( 0.000 -1.022 6.813) 6.889 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 2.691 1.628 -13.548) 13.908 3.207 ( 2.691 1.628 13.548) 13.908 3.437 ( 2.120 5.077 -2.223) 5.934 3.437 ( 2.120 5.077 2.223) 5.934 3.754 ( 5.392 -5.886 -7.997) 11.299 3.754 ( 5.392 -5.886 7.997) 11.299 4.356 ( -2.440 -10.368 -14.051) 17.632 4.356 ( -2.440 -10.368 14.051) 17.632 4.533 ( 5.426 -0.318 -3.806) 6.636 4.533 ( 5.426 -0.318 3.806) 6.636 5.127 ( 0.144 -5.824 -4.531) 7.380 5.127 ( 0.144 -5.824 4.531) 7.380 6.309 ( -1.965 29.218 -13.100) 32.080 6.309 ( -1.965 29.218 13.100) 32.080 6.836 ( -5.212 4.092 -5.451) 8.580 6.836 ( -5.212 4.092 5.451) 8.580 7.155 ( -4.352 8.202 -8.708) 12.730 7.155 ( -4.352 8.202 8.708) 12.730 7.475 ( -14.797 3.516 -3.679) 15.648 7.475 ( -14.797 3.516 3.679) 15.648 7.927 ( 1.121 -2.895 -4.324) 5.324 7.927 ( 1.121 -2.895 4.324) 5.324 8.250 ( 3.260 -4.316 -2.927) 6.150 8.250 ( 3.260 -4.316 2.927) 6.150 8.484 ( 2.964 -8.540 -6.321) 11.031 8.484 ( 2.964 -8.540 6.321) 11.031 8.638 ( 3.714 2.374 -3.233) 5.467 8.638 ( 3.714 2.374 3.233) 5.467 9.032 ( -2.368 -6.682 -4.703) 8.508 9.032 ( -2.368 -6.682 4.703) 8.508 9.705 ( -0.305 -14.284 -8.013) 16.381 9.705 ( -0.305 -14.284 8.013) 16.381 10.493 ( 4.943 5.492 -4.703) 8.759 10.493 ( 4.943 5.492 4.703) 8.759 10.622 ( 9.058 0.347 -0.823) 9.102 10.622 ( 9.058 0.347 0.823) 9.102 11.172 ( 1.087 8.637 -2.162) 8.969 11.172 ( 1.087 8.637 2.162) 8.969 12.310 ( -0.404 -9.528 -2.689) 9.908 12.310 ( -0.404 -9.528 2.689) 9.908 12.569 ( 3.970 -2.855 -4.214) 6.455 12.569 ( 3.970 -2.855 4.214) 6.455 13.263 ( -0.225 0.221 -2.095) 2.119 13.263 ( -0.225 0.221 2.095) 2.119 13.815 ( -1.548 3.224 -4.452) 5.711 13.815 ( -1.548 3.224 4.452) 5.711 13.953 ( -2.154 -0.140 -6.297) 6.656 13.953 ( -2.154 -0.140 6.297) 6.656 19.264 ( 3.593 6.913 -3.151) 8.404 19.264 ( 3.593 6.913 3.151) 8.404 20.026 ( -1.283 -0.696 -2.097) 2.555 20.026 ( -1.283 -0.696 2.097) 2.555 20.630 ( -4.453 5.122 -11.580) 13.422 20.630 ( -4.453 5.122 11.580) 13.422 21.237 ( -9.002 -5.194 -4.778) 11.439 21.237 ( -9.002 -5.194 4.778) 11.439 22.381 ( 1.469 -0.079 -4.370) 4.611 22.381 ( 1.469 -0.079 4.370) 4.611 23.042 ( 1.719 -2.870 -6.807) 7.585 23.042 ( 1.719 -2.870 6.807) 7.585 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( 3.229 3.445 -10.905) 11.883 3.274 ( 3.229 3.445 10.905) 11.883 3.538 ( 7.639 5.124 -7.050) 11.589 3.538 ( 7.639 5.124 7.050) 11.589 3.893 ( 6.979 -6.786 -8.049) 12.631 3.893 ( 6.979 -6.786 8.049) 12.631 4.289 ( -3.983 -8.144 -12.342) 15.314 4.289 ( -3.983 -8.144 12.342) 15.314 4.669 ( 6.771 -0.420 -4.657) 8.229 4.669 ( 6.771 -0.420 4.657) 8.229 5.136 ( 0.777 -7.690 -6.992) 10.422 5.136 ( 0.777 -7.690 6.992) 10.422 6.228 ( -5.672 22.333 -11.969) 25.965 6.228 ( -5.672 22.333 11.969) 25.965 6.691 ( -8.207 4.955 -4.780) 10.712 6.691 ( -8.207 4.955 4.780) 10.712 6.982 ( -12.205 10.026 -9.546) 18.456 6.982 ( -12.205 10.026 9.546) 18.456 7.210 ( -7.490 7.351 -6.321) 12.251 7.210 ( -7.490 7.351 6.321) 12.251 7.971 ( 2.752 -7.121 -2.220) 7.951 7.971 ( 2.752 -7.121 2.220) 7.951 8.280 ( -0.608 -15.686 -2.918) 15.966 8.280 ( -0.608 -15.686 2.918) 15.966 8.541 ( 3.521 -3.835 -7.554) 9.174 8.541 ( 3.521 -3.835 7.554) 9.174 8.724 ( 3.043 3.060 -4.494) 6.231 8.724 ( 3.043 3.060 4.494) 6.231 9.038 ( 3.138 1.229 -5.153) 6.157 9.038 ( 3.138 1.229 5.153) 6.157 9.670 ( -2.749 -6.771 -5.015) 8.863 9.670 ( -2.749 -6.771 5.015) 8.863 10.631 ( 6.904 4.384 -3.261) 8.805 10.631 ( 6.904 4.384 3.261) 8.805 10.799 ( 6.097 -0.784 -1.036) 6.233 10.799 ( 6.097 -0.784 1.036) 6.233 11.235 ( 5.292 7.370 -2.686) 9.462 11.235 ( 5.292 7.370 2.686) 9.462 12.306 ( 0.082 -13.871 -2.396) 14.077 12.306 ( 0.082 -13.871 2.396) 14.077 12.668 ( 4.792 0.158 -4.933) 6.879 12.668 ( 4.792 0.158 4.933) 6.879 13.266 ( 0.748 0.467 -3.928) 4.025 13.266 ( 0.748 0.467 3.928) 4.025 13.768 ( -2.919 4.800 -4.212) 7.021 13.768 ( -2.919 4.800 4.212) 7.021 13.892 ( -3.326 -1.671 -5.480) 6.624 13.892 ( -3.326 -1.671 5.480) 6.624 19.369 ( 5.941 6.475 -4.196) 9.738 19.369 ( 5.941 6.475 4.196) 9.738 19.999 ( -0.890 -2.025 -2.680) 3.475 19.999 ( -0.890 -2.025 2.680) 3.475 20.507 ( -6.571 4.700 -9.857) 12.745 20.507 ( -6.571 4.700 9.857) 12.745 20.987 ( -13.414 -3.648 -2.944) 14.210 20.987 ( -13.414 -3.648 2.944) 14.210 22.440 ( 3.949 2.687 -4.600) 6.631 22.440 ( 3.949 2.687 4.600) 6.631 23.064 ( -0.103 -5.584 -6.382) 8.481 23.064 ( -0.103 -5.584 6.382) 8.481 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 2.250 8.826 -7.852) 12.026 3.334 ( 2.250 8.826 7.852) 12.026 3.745 ( 10.983 1.524 -6.558) 12.883 3.745 ( 10.983 1.524 6.558) 12.883 4.020 ( 4.094 -7.562 -3.873) 9.431 4.020 ( 4.094 -7.562 3.873) 9.431 4.184 ( -5.660 -6.720 -8.185) 12.007 4.184 ( -5.660 -6.720 8.185) 12.007 4.794 ( 4.422 2.611 -3.615) 6.280 4.794 ( 4.422 2.611 3.615) 6.280 5.160 ( 1.271 -9.604 -5.731) 11.256 5.160 ( 1.271 -9.604 5.731) 11.256 6.114 ( -3.143 9.998 -6.999) 12.603 6.114 ( -3.143 9.998 6.999) 12.603 6.455 ( -13.721 2.578 -3.581) 14.413 6.455 ( -13.721 2.578 3.581) 14.413 6.779 ( -4.921 14.267 -6.004) 16.242 6.779 ( -4.921 14.267 6.004) 16.242 7.120 ( -2.197 14.665 -3.160) 15.161 7.120 ( -2.197 14.665 3.160) 15.161 8.031 ( 2.585 -12.651 -1.015) 12.953 8.031 ( 2.585 -12.651 1.015) 12.953 8.245 ( -1.987 -16.088 -0.874) 16.234 8.245 ( -1.987 -16.088 0.874) 16.234 8.635 ( 4.679 -1.706 -4.460) 6.685 8.635 ( 4.679 -1.706 4.460) 6.685 8.753 ( -0.130 -1.250 -4.404) 4.579 8.753 ( -0.130 -1.250 4.404) 4.579 9.127 ( 4.140 9.182 -2.955) 10.497 9.127 ( 4.140 9.182 2.955) 10.497 9.605 ( -2.949 -3.377 -2.288) 5.033 9.605 ( -2.949 -3.377 2.288) 5.033 10.759 ( 4.884 4.559 -3.235) 7.423 10.759 ( 4.884 4.559 3.235) 7.423 10.864 ( 0.547 0.784 -2.047) 2.260 10.864 ( 0.547 0.784 2.047) 2.260 11.369 ( 5.886 4.667 -2.285) 7.851 11.369 ( 5.886 4.667 2.285) 7.851 12.312 ( 0.370 -17.398 -1.858) 17.501 12.312 ( 0.370 -17.398 1.858) 17.501 12.750 ( 2.519 3.687 -3.797) 5.862 12.750 ( 2.519 3.687 3.797) 5.862 13.303 ( 2.621 -0.760 -4.864) 5.577 13.303 ( 2.621 -0.760 4.864) 5.577 13.694 ( -3.751 6.558 -4.152) 8.621 13.694 ( -3.751 6.558 4.152) 8.621 13.828 ( -2.289 -3.123 -3.052) 4.930 13.828 ( -2.289 -3.123 3.052) 4.930 19.494 ( 5.133 6.147 -3.998) 8.951 19.494 ( 5.133 6.147 3.998) 8.951 20.000 ( 0.988 -5.227 -2.924) 6.070 20.000 ( 0.988 -5.227 2.924) 6.070 20.376 ( -5.143 5.907 -6.453) 10.148 20.376 ( -5.143 5.907 6.453) 10.148 20.716 ( -10.916 -1.443 -1.614) 11.129 20.716 ( -10.916 -1.443 1.614) 11.129 22.532 ( 4.086 3.894 -3.405) 6.592 22.532 ( 4.086 3.894 3.405) 6.592 23.039 ( -1.873 -7.306 -4.488) 8.776 23.039 ( -1.873 -7.306 4.488) 8.776 ======================= Grid point 359 (115/120) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 0.000 11.536 -0.000) 11.536 3.360 ( 0.000 11.536 0.000) 11.536 3.941 ( -0.000 0.230 0.000) 0.230 3.941 ( 0.000 0.230 0.000) 0.230 3.998 ( 0.000 -7.611 -0.000) 7.611 3.998 ( 0.000 -7.611 0.000) 7.611 4.119 ( 0.000 -6.853 -0.000) 6.853 4.119 ( 0.000 -6.853 0.000) 6.853 4.842 ( 0.000 4.556 0.000) 4.556 4.842 ( 0.000 4.556 0.000) 4.556 5.176 ( 0.000 -9.977 0.000) 9.977 5.176 ( 0.000 -9.977 0.000) 9.977 6.125 ( -0.000 2.498 0.000) 2.498 6.125 ( 0.000 2.499 0.000) 2.499 6.239 ( 0.000 1.675 0.000) 1.675 6.239 ( 0.000 1.675 0.000) 1.675 6.736 ( 0.000 18.020 0.000) 18.020 6.736 ( 0.000 18.020 0.000) 18.020 7.098 ( 0.000 16.704 0.000) 16.704 7.098 ( 0.000 16.704 0.000) 16.704 8.063 ( 0.000 -16.512 0.000) 16.512 8.063 ( 0.000 -16.512 0.000) 16.512 8.220 ( 0.000 -13.235 0.000) 13.235 8.220 ( 0.000 -13.235 0.000) 13.235 8.712 ( -0.000 -2.006 -0.000) 2.006 8.712 ( 0.000 -2.006 0.000) 2.006 8.728 ( 0.000 -2.122 0.000) 2.122 8.728 ( 0.000 -2.122 0.000) 2.122 9.177 ( 0.000 11.875 0.000) 11.875 9.177 ( 0.000 11.875 0.000) 11.875 9.568 ( 0.000 -2.912 0.000) 2.912 9.568 ( 0.000 -2.912 0.000) 2.912 10.827 ( 0.000 8.213 -0.000) 8.213 10.827 ( 0.000 8.213 0.000) 8.213 10.851 ( -0.000 -2.032 -0.000) 2.032 10.851 ( 0.000 -2.032 0.000) 2.032 11.438 ( 0.000 3.789 0.000) 3.789 11.438 ( 0.000 3.789 0.000) 3.789 12.317 ( 0.000 -18.864 0.000) 18.864 12.317 ( 0.000 -18.864 0.000) 18.864 12.775 ( 0.000 5.648 0.000) 5.648 12.775 ( 0.000 5.648 0.000) 5.648 13.343 ( 0.000 -2.341 0.000) 2.341 13.343 ( 0.000 -2.341 0.000) 2.341 13.642 ( 0.000 7.466 -0.000) 7.466 13.642 ( 0.000 7.466 0.000) 7.466 13.803 ( 0.000 -3.292 -0.000) 3.292 13.803 ( 0.000 -3.292 0.000) 3.292 19.554 ( 0.000 6.030 -0.000) 6.030 19.554 ( 0.000 6.030 0.000) 6.030 20.019 ( 0.000 -8.232 -0.000) 8.232 20.019 ( 0.000 -8.232 0.000) 8.232 20.316 ( 0.000 7.996 0.000) 7.996 20.316 ( 0.000 7.996 0.000) 7.996 20.585 ( 0.000 -0.419 0.000) 0.419 20.585 ( 0.000 -0.419 0.000) 0.419 22.582 ( 0.000 4.417 0.000) 4.417 22.582 ( 0.000 4.417 0.000) 4.417 23.012 ( 0.000 -8.095 0.000) 8.095 23.012 ( 0.000 -8.095 0.000) 8.095 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 0.000 1.182 -9.008) 9.085 3.211 ( 0.000 1.182 9.008) 9.085 3.432 ( 0.000 -1.495 -11.676) 11.772 3.432 ( 0.000 -1.495 11.676) 11.772 3.694 ( 0.000 3.892 -13.484) 14.034 3.694 ( 0.000 3.892 13.484) 14.034 4.124 ( 0.000 -9.743 -12.197) 15.611 4.124 ( 0.000 -9.743 12.197) 15.611 4.565 ( 0.000 3.769 -3.112) 4.888 4.565 ( 0.000 3.769 3.112) 4.888 5.038 ( 0.000 -3.332 -2.730) 4.307 5.038 ( 0.000 -3.332 2.730) 4.307 6.831 ( 0.000 16.667 -9.837) 19.353 6.831 ( 0.000 16.667 9.837) 19.353 6.947 ( 0.000 6.810 -1.863) 7.060 6.947 ( 0.000 6.810 1.863) 7.060 7.261 ( 0.000 -3.519 -9.733) 10.350 7.261 ( 0.000 -3.519 9.733) 10.350 7.722 ( 0.000 2.291 -1.807) 2.918 7.722 ( 0.000 2.291 1.807) 2.918 7.886 ( 0.000 -0.347 -0.912) 0.975 7.886 ( 0.000 -0.347 0.912) 0.975 8.064 ( 0.000 -11.211 -0.584) 11.226 8.064 ( 0.000 -11.211 0.584) 11.226 8.388 ( 0.000 -0.123 -2.972) 2.974 8.388 ( 0.000 -0.123 2.972) 2.974 8.719 ( 0.000 14.291 -0.324) 14.295 8.719 ( 0.000 14.291 0.324) 14.295 8.942 ( 0.000 -7.342 -1.806) 7.561 8.942 ( 0.000 -7.342 1.806) 7.561 9.338 ( 0.000 -15.119 -5.617) 16.129 9.338 ( 0.000 -15.119 5.617) 16.129 10.531 ( 0.000 1.557 -3.164) 3.527 10.531 ( 0.000 1.557 3.164) 3.527 10.543 ( 0.000 2.122 -0.176) 2.129 10.543 ( 0.000 2.122 0.176) 2.129 11.285 ( 0.000 3.691 -0.839) 3.785 11.285 ( 0.000 3.691 0.839) 3.785 12.209 ( 0.000 -3.417 -1.807) 3.866 12.209 ( 0.000 -3.417 1.807) 3.866 12.459 ( 0.000 -1.961 -1.750) 2.628 12.459 ( 0.000 -1.961 1.750) 2.628 13.269 ( 0.000 0.161 -0.026) 0.163 13.269 ( 0.000 0.161 0.026) 0.163 13.876 ( 0.000 1.612 -2.244) 2.763 13.876 ( 0.000 1.612 2.244) 2.763 13.972 ( 0.000 -0.536 -3.263) 3.306 13.972 ( 0.000 -0.536 3.263) 3.306 19.329 ( 0.000 3.256 -0.584) 3.308 19.329 ( 0.000 3.256 0.584) 3.308 20.030 ( 0.000 -0.476 -1.156) 1.250 20.030 ( 0.000 -0.476 1.156) 1.250 20.783 ( 0.000 4.209 -5.367) 6.820 20.783 ( 0.000 4.209 5.367) 6.820 21.235 ( 0.000 -4.088 -3.303) 5.256 21.235 ( 0.000 -4.088 3.303) 5.256 22.336 ( 0.000 -0.984 -1.136) 1.503 22.336 ( 0.000 -0.984 1.136) 1.503 23.003 ( 0.000 -0.457 -2.454) 2.497 23.003 ( 0.000 -0.457 2.454) 2.497 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 2.862 1.433 -8.039) 8.653 3.240 ( 2.862 1.433 8.039) 8.653 3.465 ( 3.260 -1.316 -9.591) 10.214 3.465 ( 3.260 -1.316 9.591) 10.214 3.742 ( 4.238 3.300 -11.988) 13.137 3.742 ( 4.238 3.300 11.988) 13.137 4.140 ( 0.944 -8.660 -11.533) 14.454 4.140 ( 0.944 -8.660 11.533) 14.454 4.592 ( 2.772 3.014 -3.163) 5.174 4.592 ( 2.772 3.014 3.163) 5.174 5.032 ( -0.485 -3.445 -3.528) 4.954 5.032 ( -0.485 -3.445 3.528) 4.954 6.750 ( -8.283 9.850 -7.030) 14.665 6.750 ( -8.283 9.850 7.030) 14.665 6.940 ( -0.157 14.209 -1.151) 14.256 6.940 ( -0.157 14.209 1.151) 14.256 7.252 ( -1.667 -3.607 -9.929) 10.694 7.252 ( -1.667 -3.607 9.929) 10.694 7.519 ( -15.278 1.711 -0.465) 15.381 7.519 ( -15.278 1.711 0.465) 15.381 7.882 ( -0.820 0.363 -1.393) 1.657 7.882 ( -0.820 0.363 1.393) 1.657 8.034 ( -2.334 -12.043 -2.699) 12.561 8.034 ( -2.334 -12.043 2.699) 12.561 8.409 ( 2.608 -1.368 -4.728) 5.571 8.409 ( 2.608 -1.368 4.728) 5.571 8.765 ( -0.429 5.654 -2.398) 6.156 8.765 ( -0.429 5.654 2.398) 6.156 8.967 ( 6.629 1.545 -4.788) 8.322 8.967 ( 6.629 1.545 4.788) 8.322 9.423 ( 5.465 -12.809 -4.755) 14.715 9.423 ( 5.465 -12.809 4.755) 14.715 10.576 ( 4.052 3.265 -3.599) 6.327 10.576 ( 4.052 3.265 3.599) 6.327 10.626 ( 6.939 -0.600 -2.574) 7.425 10.626 ( 6.939 -0.600 2.574) 7.425 11.304 ( 2.053 4.418 -1.102) 4.994 11.304 ( 2.053 4.418 1.102) 4.994 12.161 ( -3.631 -4.947 -1.700) 6.367 12.161 ( -3.631 -4.947 1.700) 6.367 12.533 ( 6.047 -1.003 -2.114) 6.484 12.533 ( 6.047 -1.003 2.114) 6.484 13.265 ( -0.364 0.008 -0.863) 0.937 13.265 ( -0.364 0.008 0.863) 0.937 13.863 ( -1.167 1.643 -2.255) 3.025 13.863 ( -1.167 1.643 2.255) 3.025 13.946 ( -2.370 -0.465 -3.318) 4.104 13.946 ( -2.370 -0.465 3.318) 4.104 19.366 ( 3.432 3.227 -0.977) 4.811 19.366 ( 3.432 3.227 0.977) 4.811 20.010 ( -1.844 -0.670 -1.248) 2.326 20.010 ( -1.844 -0.670 1.248) 2.326 20.725 ( -5.117 3.829 -5.006) 8.118 20.725 ( -5.117 3.829 5.006) 8.118 21.142 ( -8.215 -3.729 -2.839) 9.458 21.142 ( -8.215 -3.729 2.839) 9.458 22.381 ( 3.931 0.018 -1.758) 4.306 22.381 ( 3.931 0.018 1.758) 4.306 23.000 ( -0.440 -1.311 -2.631) 2.972 23.000 ( -0.440 -1.311 2.631) 2.972 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( 6.362 2.722 -7.785) 10.416 3.338 ( 6.362 2.722 7.785) 10.416 3.572 ( 6.668 -1.293 -5.728) 8.885 3.572 ( 6.668 -1.293 5.728) 8.885 3.852 ( 5.464 1.984 -9.337) 10.998 3.852 ( 5.464 1.984 9.337) 10.998 4.135 ( -1.799 -6.355 -10.428) 12.343 4.135 ( -1.799 -6.355 10.428) 12.343 4.691 ( 6.523 1.530 -3.338) 7.486 4.691 ( 6.523 1.530 3.338) 7.486 5.021 ( -0.410 -3.816 -4.551) 5.953 5.021 ( -0.410 -3.816 4.551) 5.953 6.500 ( -13.901 5.204 -4.285) 15.450 6.500 ( -13.901 5.204 4.285) 15.450 6.870 ( -11.999 12.830 -4.973) 18.257 6.870 ( -11.999 12.830 4.973) 18.257 7.100 ( -6.659 2.660 -8.602) 11.199 7.100 ( -6.659 2.660 8.602) 11.199 7.334 ( -1.361 1.881 -1.366) 2.694 7.334 ( -1.361 1.881 1.366) 2.694 7.854 ( -1.559 -1.418 -1.350) 2.503 7.854 ( -1.559 -1.418 1.350) 2.503 7.988 ( -1.705 -13.012 -2.286) 13.321 7.988 ( -1.705 -13.012 2.286) 13.321 8.496 ( 5.130 -1.284 -3.144) 6.152 8.496 ( 5.130 -1.284 3.144) 6.152 8.735 ( -1.032 -0.932 -2.075) 2.498 8.735 ( -1.032 -0.932 2.075) 2.498 9.156 ( 8.868 8.722 -3.423) 12.901 9.156 ( 8.868 8.722 3.423) 12.901 9.508 ( 2.188 -8.926 -3.312) 9.768 9.508 ( 2.188 -8.926 3.312) 9.768 10.683 ( 5.437 1.880 -1.786) 6.024 10.683 ( 5.437 1.880 1.786) 6.024 10.780 ( 6.124 -1.422 -0.539) 6.310 10.780 ( 6.124 -1.422 0.539) 6.310 11.388 ( 6.085 6.644 -1.779) 9.183 11.388 ( 6.085 6.644 1.779) 9.183 12.080 ( -3.805 -8.241 -1.866) 9.266 12.080 ( -3.805 -8.241 1.866) 9.266 12.686 ( 7.986 1.050 -2.653) 8.480 12.686 ( 7.986 1.050 2.653) 8.480 13.251 ( -1.002 -1.150 -2.164) 2.648 13.251 ( -1.002 -1.150 2.164) 2.648 13.829 ( -1.975 1.713 -2.034) 3.312 13.829 ( -1.975 1.713 2.034) 3.312 13.878 ( -3.788 -0.148 -3.149) 4.928 13.878 ( -3.788 -0.148 3.149) 4.928 19.469 ( 6.031 3.356 -1.709) 7.111 19.469 ( 6.031 3.356 1.709) 7.111 19.958 ( -2.844 -1.644 -1.636) 3.670 19.958 ( -2.844 -1.644 1.636) 3.670 20.593 ( -6.565 3.335 -4.099) 8.428 20.593 ( -6.565 3.335 4.099) 8.428 20.921 ( -11.739 -2.627 -1.871) 12.174 20.921 ( -11.739 -2.627 1.871) 12.174 22.487 ( 5.714 1.726 -2.191) 6.359 22.487 ( 5.714 1.726 2.191) 6.359 22.975 ( -2.138 -3.030 -2.804) 4.649 22.975 ( -2.138 -3.030 2.804) 4.649 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( 7.414 6.951 -7.926) 12.888 3.493 ( 7.414 6.951 7.926) 12.888 3.726 ( 6.971 -3.755 -6.278) 10.105 3.726 ( 6.971 -3.755 6.278) 10.105 3.947 ( 2.877 0.521 -8.786) 9.260 3.947 ( 2.877 0.521 8.786) 9.260 4.066 ( -4.184 -5.108 -8.906) 11.086 4.066 ( -4.184 -5.108 8.906) 11.086 4.843 ( 6.773 2.250 -3.542) 7.967 4.843 ( 6.773 2.250 3.542) 7.967 5.019 ( 0.281 -4.786 -4.425) 6.525 5.019 ( 0.281 -4.786 4.425) 6.525 6.236 ( -8.943 3.007 -2.387) 9.733 6.236 ( -8.943 3.007 2.387) 9.733 6.490 ( -18.266 1.006 -1.574) 18.361 6.490 ( -18.266 1.006 1.574) 18.361 7.083 ( 1.264 16.590 -2.604) 16.841 7.083 ( 1.264 16.590 2.604) 16.841 7.329 ( 0.089 1.920 -1.038) 2.184 7.329 ( 0.089 1.920 1.038) 2.184 7.825 ( -1.073 -3.573 -0.826) 3.821 7.825 ( -1.073 -3.573 0.826) 3.821 7.965 ( -0.497 -13.441 -0.920) 13.482 7.965 ( -0.497 -13.441 0.920) 13.482 8.606 ( 4.785 -0.943 -1.872) 5.223 8.606 ( 4.785 -0.943 1.872) 5.223 8.720 ( -0.753 -1.367 -1.561) 2.207 8.720 ( -0.753 -1.367 1.561) 2.207 9.312 ( 5.581 8.922 -1.615) 10.647 9.312 ( 5.581 8.922 1.615) 10.647 9.521 ( -0.616 -5.476 -1.748) 5.782 9.521 ( -0.616 -5.476 1.748) 5.782 10.786 ( 3.980 0.768 -1.620) 4.365 10.786 ( 3.980 0.768 1.620) 4.365 10.861 ( 1.659 -1.601 -1.143) 2.573 10.861 ( 1.659 -1.601 1.143) 2.573 11.540 ( 7.059 10.797 -2.108) 13.071 11.540 ( 7.059 10.797 2.108) 13.071 12.003 ( -3.281 -13.567 -1.947) 14.094 12.003 ( -3.281 -13.567 1.947) 14.094 12.854 ( 7.188 5.619 -2.915) 9.578 12.854 ( 7.188 5.619 2.915) 9.578 13.219 ( -2.026 -5.665 -3.230) 6.828 13.219 ( -2.026 -5.665 3.230) 6.828 13.781 ( -2.451 2.641 -2.626) 4.458 13.781 ( -2.451 2.641 2.626) 4.458 13.806 ( -2.339 -0.121 -2.028) 3.098 13.806 ( -2.339 -0.121 2.028) 3.098 19.606 ( 6.266 4.695 -2.263) 8.150 19.606 ( 6.266 4.695 2.263) 8.150 19.896 ( -2.871 -4.517 -2.136) 5.762 19.896 ( -2.871 -4.517 2.136) 5.762 20.480 ( -3.335 4.015 -2.804) 5.925 20.480 ( -3.335 4.015 2.804) 5.925 20.681 ( -10.004 -1.808 -1.298) 10.249 20.681 ( -10.004 -1.808 1.298) 10.249 22.612 ( 5.707 3.653 -2.145) 7.108 22.612 ( 5.707 3.653 2.145) 7.108 22.909 ( -3.832 -5.189 -2.518) 6.924 22.909 ( -3.832 -5.189 2.518) 6.924 ======================= Grid point 377 (120/120) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( -0.000 12.613 -0.000) 12.613 3.591 ( 0.000 12.613 0.000) 12.613 3.818 ( -0.000 -11.259 -0.000) 11.259 3.818 ( 0.000 -11.259 0.000) 11.259 3.959 ( 0.000 1.834 -0.000) 1.834 3.959 ( 0.000 1.834 0.000) 1.834 4.015 ( 0.000 -4.217 -0.000) 4.217 4.015 ( 0.000 -4.217 0.000) 4.217 4.927 ( 0.000 4.580 0.000) 4.580 4.927 ( 0.000 4.580 0.000) 4.580 5.025 ( 0.000 -6.302 0.000) 6.302 5.025 ( 0.000 -6.302 0.000) 6.302 6.179 ( -0.000 3.038 0.000) 3.038 6.179 ( 0.000 3.038 0.000) 3.038 6.230 ( 0.000 -2.077 0.000) 2.077 6.230 ( 0.000 -2.077 0.000) 2.077 7.100 ( 0.000 19.416 0.000) 19.416 7.100 ( 0.000 19.416 0.000) 19.416 7.330 ( 0.000 1.582 0.000) 1.582 7.330 ( 0.000 1.582 0.000) 1.582 7.813 ( 0.000 -4.235 0.000) 4.235 7.813 ( 0.000 -4.235 0.000) 4.235 7.961 ( 0.000 -13.783 0.000) 13.783 7.961 ( 0.000 -13.783 0.000) 13.783 8.682 ( -0.000 -0.666 -0.000) 0.666 8.682 ( -0.000 -0.666 0.000) 0.666 8.691 ( 0.000 -1.473 -0.000) 1.473 8.691 ( 0.000 -1.473 0.000) 1.473 9.378 ( 0.000 9.056 -0.000) 9.056 9.378 ( 0.000 9.056 0.000) 9.056 9.506 ( -0.000 -4.605 0.000) 4.605 9.506 ( 0.000 -4.605 0.000) 4.605 10.836 ( 0.000 0.722 0.000) 0.722 10.836 ( 0.000 0.722 0.000) 0.722 10.870 ( 0.000 -1.826 -0.000) 1.826 10.870 ( 0.000 -1.826 0.000) 1.826 11.629 ( 0.000 15.522 0.000) 15.522 11.629 ( 0.000 15.522 0.000) 15.522 11.960 ( 0.000 -18.869 0.000) 18.869 11.960 ( 0.000 -18.869 0.000) 18.869 12.946 ( -0.000 11.943 0.000) 11.943 12.946 ( -0.000 11.943 0.000) 11.943 13.186 ( 0.000 -12.403 0.000) 12.403 13.186 ( 0.000 -12.403 0.000) 12.403 13.749 ( 0.000 3.687 -0.000) 3.687 13.749 ( 0.000 3.687 0.000) 3.687 13.783 ( 0.000 -0.348 -0.000) 0.348 13.783 ( 0.000 -0.348 0.000) 0.348 19.690 ( 0.000 8.251 -0.000) 8.251 19.690 ( 0.000 8.251 0.000) 8.251 19.855 ( -0.000 -9.067 -0.000) 9.067 19.855 ( 0.000 -9.067 0.000) 9.067 20.457 ( 0.000 6.578 0.000) 6.578 20.457 ( 0.000 6.578 0.000) 6.578 20.551 ( -0.000 -3.371 0.000) 3.371 20.551 ( 0.000 -3.371 0.000) 3.371 22.693 ( -0.000 7.288 0.000) 7.288 22.693 ( 0.000 7.288 0.000) 7.288 22.848 ( 0.000 -8.947 0.000) 8.947 22.848 ( 0.000 -8.947 0.000) 8.947 =================== 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 3/33600 10.0 1070.389 1473.845 838.375 0.000 0.000 -0.000 3/33600 20.0 660.356 646.855 699.438 0.000 0.000 -0.000 3/33600 30.0 315.774 303.939 375.442 0.000 0.000 -0.000 3/33600 40.0 185.670 169.061 221.891 0.000 0.000 0.000 3/33600 50.0 120.979 106.260 141.184 0.000 0.000 0.000 3/33600 60.0 83.147 72.254 94.413 0.000 0.000 0.000 3/33600 70.0 59.747 52.285 66.368 0.000 0.000 0.000 3/33600 80.0 44.794 39.868 48.996 0.000 0.000 0.000 3/33600 90.0 34.909 31.740 37.793 0.000 0.000 0.000 3/33600 100.0 28.136 26.163 30.258 0.000 0.000 0.000 3/33600 110.0 23.330 22.171 24.983 0.000 0.000 0.000 3/33600 120.0 19.807 19.207 21.154 0.000 0.000 0.000 3/33600 130.0 17.149 16.937 18.286 0.000 0.000 0.000 3/33600 140.0 15.090 15.151 16.077 0.000 0.000 0.000 3/33600 150.0 13.460 13.712 14.334 0.000 0.000 0.000 3/33600 160.0 12.142 12.531 12.930 0.000 0.000 0.000 3/33600 170.0 11.060 11.545 11.778 0.000 0.000 0.000 3/33600 180.0 10.156 10.709 10.818 0.000 0.000 0.000 3/33600 190.0 9.391 9.992 10.007 0.000 0.000 0.000 3/33600 200.0 8.737 9.370 9.312 0.000 0.000 0.000 3/33600 210.0 8.171 8.825 8.712 0.000 0.000 0.000 3/33600 220.0 7.677 8.343 8.187 0.000 0.000 0.000 3/33600 230.0 7.242 7.915 7.725 0.000 0.000 0.000 3/33600 240.0 6.856 7.531 7.315 0.000 0.000 0.000 3/33600 250.0 6.511 7.184 6.948 0.000 0.000 0.000 3/33600 260.0 6.201 6.870 6.619 0.000 0.000 0.000 3/33600 270.0 5.921 6.584 6.321 0.000 0.000 0.000 3/33600 280.0 5.666 6.322 6.050 0.000 0.000 0.000 3/33600 290.0 5.434 6.082 5.803 0.000 0.000 0.000 3/33600 300.0 5.221 5.860 5.576 0.000 0.000 0.000 3/33600 310.0 5.025 5.654 5.367 0.000 0.000 0.000 3/33600 320.0 4.844 5.463 5.174 0.000 0.000 0.000 3/33600 330.0 4.677 5.286 4.995 0.000 0.000 0.000 3/33600 340.0 4.521 5.120 4.829 0.000 0.000 0.000 3/33600 350.0 4.376 4.964 4.674 0.000 0.000 0.000 3/33600 360.0 4.240 4.818 4.529 0.000 0.000 0.000 3/33600 370.0 4.113 4.681 4.393 0.000 0.000 0.000 3/33600 380.0 3.994 4.552 4.265 0.000 0.000 0.000 3/33600 390.0 3.881 4.430 4.145 0.000 0.000 0.000 3/33600 400.0 3.776 4.314 4.032 0.000 0.000 0.000 3/33600 410.0 3.676 4.205 3.925 0.000 0.000 0.000 3/33600 420.0 3.581 4.101 3.824 0.000 0.000 0.000 3/33600 430.0 3.491 4.002 3.728 0.000 0.000 0.000 3/33600 440.0 3.406 3.908 3.637 0.000 0.000 0.000 3/33600 450.0 3.325 3.819 3.551 0.000 0.000 0.000 3/33600 460.0 3.248 3.734 3.468 0.000 0.000 0.000 3/33600 470.0 3.175 3.652 3.390 0.000 0.000 0.000 3/33600 480.0 3.105 3.574 3.315 0.000 0.000 0.000 3/33600 490.0 3.038 3.500 3.243 0.000 0.000 0.000 3/33600 500.0 2.974 3.428 3.175 0.000 0.000 0.000 3/33600 510.0 2.913 3.360 3.109 0.000 0.000 0.000 3/33600 520.0 2.854 3.294 3.047 0.000 0.000 0.000 3/33600 530.0 2.798 3.231 2.986 0.000 0.000 0.000 3/33600 540.0 2.744 3.170 2.929 0.000 0.000 0.000 3/33600 550.0 2.692 3.111 2.873 0.000 0.000 0.000 3/33600 560.0 2.642 3.055 2.819 0.000 0.000 0.000 3/33600 570.0 2.594 3.001 2.768 0.000 0.000 0.000 3/33600 580.0 2.547 2.948 2.718 0.000 0.000 0.000 3/33600 590.0 2.503 2.898 2.671 0.000 0.000 0.000 3/33600 600.0 2.460 2.849 2.625 0.000 0.000 0.000 3/33600 610.0 2.418 2.802 2.580 0.000 0.000 0.000 3/33600 620.0 2.378 2.756 2.537 0.000 0.000 0.000 3/33600 630.0 2.339 2.712 2.495 0.000 0.000 0.000 3/33600 640.0 2.301 2.669 2.455 0.000 0.000 0.000 3/33600 650.0 2.265 2.628 2.416 0.000 0.000 0.000 3/33600 660.0 2.230 2.588 2.379 0.000 0.000 0.000 3/33600 670.0 2.196 2.549 2.342 0.000 0.000 0.000 3/33600 680.0 2.163 2.511 2.307 0.000 0.000 0.000 3/33600 690.0 2.130 2.475 2.273 0.000 0.000 0.000 3/33600 700.0 2.099 2.439 2.239 0.000 0.000 0.000 3/33600 710.0 2.069 2.405 2.207 0.000 0.000 0.000 3/33600 720.0 2.040 2.371 2.176 0.000 0.000 0.000 3/33600 730.0 2.011 2.338 2.145 0.000 0.000 0.000 3/33600 740.0 1.984 2.307 2.116 0.000 0.000 0.000 3/33600 750.0 1.957 2.276 2.087 0.000 0.000 0.000 3/33600 760.0 1.930 2.246 2.059 0.000 0.000 0.000 3/33600 770.0 1.905 2.217 2.031 0.000 0.000 0.000 3/33600 780.0 1.880 2.188 2.005 0.000 0.000 0.000 3/33600 790.0 1.856 2.160 1.979 0.000 0.000 0.000 3/33600 800.0 1.832 2.133 1.954 0.000 0.000 0.000 3/33600 810.0 1.809 2.107 1.929 0.000 0.000 0.000 3/33600 820.0 1.787 2.081 1.905 0.000 0.000 0.000 3/33600 830.0 1.765 2.056 1.882 0.000 0.000 0.000 3/33600 840.0 1.744 2.031 1.859 0.000 0.000 0.000 3/33600 850.0 1.723 2.008 1.837 0.000 0.000 0.000 3/33600 860.0 1.703 1.984 1.815 0.000 0.000 0.000 3/33600 870.0 1.683 1.961 1.794 0.000 0.000 0.000 3/33600 880.0 1.664 1.939 1.774 0.000 0.000 0.000 3/33600 890.0 1.645 1.917 1.753 0.000 0.000 0.000 3/33600 900.0 1.626 1.896 1.734 0.000 0.000 0.000 3/33600 910.0 1.608 1.875 1.714 0.000 0.000 0.000 3/33600 920.0 1.590 1.855 1.696 0.000 0.000 0.000 3/33600 930.0 1.573 1.835 1.677 0.000 0.000 0.000 3/33600 940.0 1.556 1.815 1.659 0.000 0.000 0.000 3/33600 950.0 1.540 1.796 1.641 0.000 0.000 0.000 3/33600 960.0 1.523 1.777 1.624 0.000 0.000 0.000 3/33600 970.0 1.508 1.759 1.607 0.000 0.000 0.000 3/33600 980.0 1.492 1.741 1.591 0.000 0.000 0.000 3/33600 990.0 1.477 1.723 1.574 0.000 0.000 0.000 3/33600 1000.0 1.462 1.706 1.558 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m8710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:05:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|