----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:25:19]------------------------- 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: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.859407455000000 -2.764628140000001 0.000000000000000 b 4.859407455000000 2.764628140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.941010340000001 Atomic positions (fractional): *1 Al 0.99272342585544 0.67157121947415 0.93131892711547 26.982 2 Al 0.32842878052585 0.00727657414456 0.93131892711547 26.982 3 Al 0.67157121947415 0.99272342585544 0.43131892711547 26.982 4 Al 0.00727657414456 0.32842878052585 0.43131892711547 26.982 *5 O 0.78144119307640 0.21855880692360 0.49077440289965 15.999 *6 O 0.89815559968577 0.65884906532804 0.58716386643470 15.999 7 O 0.34115093467196 0.10184440031423 0.58716386643470 15.999 8 O 0.65884906532804 0.89815559968577 0.08716386643471 15.999 9 O 0.10184440031423 0.34115093467196 0.08716386643471 15.999 10 O 0.21855880692360 0.78144119307640 0.99077440289965 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.718814910000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.529256280000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.941010340000001 Atomic positions (fractional): *1 Al 0.33214732266480 0.33942389680935 0.93131892711547 26.982 > 1 2 Al 0.16785267733520 0.83942389680935 0.93131892711547 26.982 > 2 3 Al 0.33214732266480 0.66057610319065 0.43131892711547 26.982 > 3 4 Al 0.16785267733520 0.16057610319065 0.43131892711547 26.982 > 4 5 Al 0.83214732266480 0.83942389680935 0.93131892711547 26.982 > 1 6 Al 0.66785267733520 0.33942389680935 0.93131892711547 26.982 > 2 7 Al 0.83214732266480 0.16057610319065 0.43131892711547 26.982 > 3 8 Al 0.66785267733520 0.66057610319065 0.43131892711547 26.982 > 4 *9 O 0.00000000000000 0.21855880692360 0.49077440289965 15.999 > 5 *10 O 0.27850233250691 0.38034673282113 0.58716386643470 15.999 > 6 11 O 0.22149766749309 0.88034673282113 0.58716386643470 15.999 > 7 12 O 0.27850233250691 0.61965326717887 0.08716386643471 15.999 > 8 13 O 0.22149766749309 0.11965326717887 0.08716386643471 15.999 > 9 14 O 0.00000000000000 0.78144119307640 0.99077440289965 15.999 > 10 15 O 0.50000000000000 0.71855880692360 0.49077440289965 15.999 > 5 16 O 0.77850233250691 0.88034673282113 0.58716386643470 15.999 > 6 17 O 0.72149766749309 0.38034673282113 0.58716386643470 15.999 > 7 18 O 0.77850233250691 0.11965326717887 0.08716386643471 15.999 > 8 19 O 0.72149766749309 0.61965326717887 0.08716386643471 15.999 > 9 20 O 0.50000000000000 0.28144119307640 0.99077440289965 15.999 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.718814910000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.058512560000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.882020680000002 Atomic positions (fractional): *1 Al 0.33214732266480 0.16971194840468 0.46565946355773 26.982 > 1 2 Al 0.33214732266480 0.66971194840468 0.46565946355773 26.982 > 1 3 Al 0.33214732266480 0.16971194840468 0.96565946355773 26.982 > 1 4 Al 0.33214732266480 0.66971194840468 0.96565946355773 26.982 > 1 5 Al 0.16785267733520 0.41971194840468 0.46565946355773 26.982 > 2 6 Al 0.16785267733520 0.91971194840468 0.46565946355773 26.982 > 2 7 Al 0.16785267733520 0.41971194840468 0.96565946355773 26.982 > 2 8 Al 0.16785267733520 0.91971194840468 0.96565946355773 26.982 > 2 9 Al 0.33214732266480 0.33028805159532 0.21565946355773 26.982 > 3 10 Al 0.33214732266480 0.83028805159532 0.21565946355773 26.982 > 3 11 Al 0.33214732266480 0.33028805159532 0.71565946355773 26.982 > 3 12 Al 0.33214732266480 0.83028805159532 0.71565946355773 26.982 > 3 13 Al 0.16785267733520 0.08028805159532 0.21565946355773 26.982 > 4 14 Al 0.16785267733520 0.58028805159532 0.21565946355773 26.982 > 4 15 Al 0.16785267733520 0.08028805159532 0.71565946355773 26.982 > 4 16 Al 0.16785267733520 0.58028805159532 0.71565946355773 26.982 > 4 17 Al 0.83214732266480 0.41971194840468 0.46565946355773 26.982 > 1 18 Al 0.83214732266480 0.91971194840468 0.46565946355773 26.982 > 1 19 Al 0.83214732266480 0.41971194840468 0.96565946355773 26.982 > 1 20 Al 0.83214732266480 0.91971194840468 0.96565946355773 26.982 > 1 21 Al 0.66785267733520 0.16971194840468 0.46565946355773 26.982 > 2 22 Al 0.66785267733520 0.66971194840468 0.46565946355773 26.982 > 2 23 Al 0.66785267733520 0.16971194840468 0.96565946355773 26.982 > 2 24 Al 0.66785267733520 0.66971194840468 0.96565946355773 26.982 > 2 25 Al 0.83214732266480 0.08028805159532 0.21565946355773 26.982 > 3 26 Al 0.83214732266480 0.58028805159532 0.21565946355773 26.982 > 3 27 Al 0.83214732266480 0.08028805159532 0.71565946355773 26.982 > 3 28 Al 0.83214732266480 0.58028805159532 0.71565946355773 26.982 > 3 29 Al 0.66785267733520 0.33028805159532 0.21565946355773 26.982 > 4 30 Al 0.66785267733520 0.83028805159532 0.21565946355773 26.982 > 4 31 Al 0.66785267733520 0.33028805159532 0.71565946355773 26.982 > 4 32 Al 0.66785267733520 0.83028805159532 0.71565946355773 26.982 > 4 *33 O 0.00000000000000 0.10927940346180 0.24538720144983 15.999 > 5 34 O 0.00000000000000 0.60927940346180 0.24538720144983 15.999 > 5 35 O 0.00000000000000 0.10927940346180 0.74538720144983 15.999 > 5 36 O 0.00000000000000 0.60927940346180 0.74538720144983 15.999 > 5 *37 O 0.27850233250691 0.19017336641057 0.29358193321735 15.999 > 6 38 O 0.27850233250691 0.69017336641057 0.29358193321735 15.999 > 6 39 O 0.27850233250691 0.19017336641057 0.79358193321735 15.999 > 6 40 O 0.27850233250691 0.69017336641057 0.79358193321735 15.999 > 6 41 O 0.22149766749309 0.44017336641057 0.29358193321735 15.999 > 7 42 O 0.22149766749309 0.94017336641057 0.29358193321735 15.999 > 7 43 O 0.22149766749309 0.44017336641057 0.79358193321735 15.999 > 7 44 O 0.22149766749309 0.94017336641057 0.79358193321735 15.999 > 7 45 O 0.27850233250691 0.30982663358943 0.04358193321735 15.999 > 8 46 O 0.27850233250691 0.80982663358943 0.04358193321735 15.999 > 8 47 O 0.27850233250691 0.30982663358943 0.54358193321735 15.999 > 8 48 O 0.27850233250691 0.80982663358943 0.54358193321735 15.999 > 8 49 O 0.22149766749309 0.05982663358943 0.04358193321735 15.999 > 9 50 O 0.22149766749309 0.55982663358943 0.04358193321735 15.999 > 9 51 O 0.22149766749309 0.05982663358943 0.54358193321735 15.999 > 9 52 O 0.22149766749309 0.55982663358943 0.54358193321735 15.999 > 9 53 O 0.00000000000000 0.39072059653820 0.49538720144983 15.999 > 10 54 O 0.00000000000000 0.89072059653820 0.49538720144983 15.999 > 10 55 O 0.00000000000000 0.39072059653820 0.99538720144983 15.999 > 10 56 O 0.00000000000000 0.89072059653820 0.99538720144983 15.999 > 10 57 O 0.50000000000000 0.35927940346180 0.24538720144983 15.999 > 5 58 O 0.50000000000000 0.85927940346180 0.24538720144983 15.999 > 5 59 O 0.50000000000000 0.35927940346180 0.74538720144983 15.999 > 5 60 O 0.50000000000000 0.85927940346180 0.74538720144983 15.999 > 5 61 O 0.77850233250691 0.44017336641057 0.29358193321735 15.999 > 6 62 O 0.77850233250691 0.94017336641057 0.29358193321735 15.999 > 6 63 O 0.77850233250691 0.44017336641057 0.79358193321735 15.999 > 6 64 O 0.77850233250691 0.94017336641057 0.79358193321735 15.999 > 6 65 O 0.72149766749309 0.19017336641057 0.29358193321735 15.999 > 7 66 O 0.72149766749309 0.69017336641057 0.29358193321735 15.999 > 7 67 O 0.72149766749309 0.19017336641057 0.79358193321735 15.999 > 7 68 O 0.72149766749309 0.69017336641057 0.79358193321735 15.999 > 7 69 O 0.77850233250691 0.05982663358943 0.04358193321735 15.999 > 8 70 O 0.77850233250691 0.55982663358943 0.04358193321735 15.999 > 8 71 O 0.77850233250691 0.05982663358943 0.54358193321735 15.999 > 8 72 O 0.77850233250691 0.55982663358943 0.54358193321735 15.999 > 8 73 O 0.72149766749309 0.30982663358943 0.04358193321735 15.999 > 9 74 O 0.72149766749309 0.80982663358943 0.04358193321735 15.999 > 9 75 O 0.72149766749309 0.30982663358943 0.54358193321735 15.999 > 9 76 O 0.72149766749309 0.80982663358943 0.54358193321735 15.999 > 9 77 O 0.50000000000000 0.14072059653820 0.49538720144983 15.999 > 10 78 O 0.50000000000000 0.64072059653820 0.49538720144983 15.999 > 10 79 O 0.50000000000000 0.14072059653820 0.99538720144983 15.999 > 10 80 O 0.50000000000000 0.64072059653820 0.99538720144983 15.999 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5705623 0.0000000 0.0000000 0.0000000 2.5407509 0.0000000 0.0000000 0.0000000 2.6276943 -------------------------- Born effective charges -------------------------- 1 Al 2.6393897 0.0513722 0.0128402 0.1951383 2.5198225 -0.0235129 -0.0483918 -0.0441785 2.6211857 2 Al 2.6393897 -0.0513722 -0.0128402 -0.1951383 2.5198225 -0.0235129 0.0483918 -0.0441785 2.6211857 3 Al 2.6393897 -0.0513722 0.0128402 -0.1951383 2.5198225 0.0235129 -0.0483918 0.0441785 2.6211857 4 Al 2.6393897 0.0513722 -0.0128402 0.1951383 2.5198225 0.0235129 0.0483918 0.0441785 2.6211857 5 O -2.4317566 0.0000000 0.0000000 0.0000000 -1.2432807 0.0146663 0.0000000 0.0022603 -1.2953801 6 O -1.4235114 -0.3798502 -0.2190274 -0.4284384 -1.8981821 0.0573010 -0.2047092 0.1055433 -1.9734957 7 O -1.4235114 0.3798502 0.2190274 0.4284384 -1.8981821 0.0573010 0.2047092 0.1055433 -1.9734957 8 O -1.4235114 0.3798502 -0.2190274 0.4284384 -1.8981821 -0.0573010 -0.2047092 -0.1055433 -1.9734957 9 O -1.4235114 -0.3798502 0.2190274 -0.4284384 -1.8981821 -0.0573010 0.2047092 -0.1055433 -1.9734957 10 O -2.4317566 0.0000000 0.0000000 0.0000000 -1.2432807 -0.0146663 0.0000000 -0.0022603 -1.2953801 ---------------------------------------------------------------------------- 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: 4656/4656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 934 Number of blocks in projector: 934 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: 208 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 114 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 114 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 114 Use standard eigh solver. Tree of FC basis block matrices: - (934, 911), data: False |-- (114, 111), data: True |-- (114, 111), data: True |-- (114, 111), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (208, 202), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.705 Solver_block: 200 / 320 - Time: 0.701 Solver_block: 300 / 320 - Time: 0.699 Solver_block: 320 / 320 - Time: 0.183 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.303 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 4656/4656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 934 Number of blocks in projector: 934 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: 208 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 114 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 114 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 114 Use standard eigh solver. Tree of FC basis block matrices: - (934, 911), data: False |-- (114, 111), data: True |-- (114, 111), data: True |-- (114, 111), data: True |-- (192, 188), data: True |-- (192, 188), data: True |-- (208, 202), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 23:25:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:25:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.859407455000000 -2.764628140000001 0.000000000000000 b 4.859407455000000 2.764628140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.941010340000001 Atomic positions (fractional): 1 Al 0.99272342585544 0.67157121947415 0.93131892711547 26.982 2 Al 0.32842878052585 0.00727657414456 0.93131892711547 26.982 3 Al 0.67157121947415 0.99272342585544 0.43131892711547 26.982 4 Al 0.00727657414456 0.32842878052585 0.43131892711547 26.982 5 O 0.78144119307640 0.21855880692360 0.49077440289965 15.999 6 O 0.89815559968577 0.65884906532804 0.58716386643470 15.999 7 O 0.34115093467196 0.10184440031423 0.58716386643470 15.999 8 O 0.65884906532804 0.89815559968577 0.08716386643471 15.999 9 O 0.10184440031423 0.34115093467196 0.08716386643471 15.999 10 O 0.21855880692360 0.78144119307640 0.99077440289965 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.718814910000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.058512560000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.882020680000002 Atomic positions (fractional): 1 Al 0.33214732266480 0.16971194840468 0.46565946355773 26.982 > 1 2 Al 0.33214732266480 0.66971194840468 0.46565946355773 26.982 > 1 3 Al 0.33214732266480 0.16971194840468 0.96565946355773 26.982 > 1 4 Al 0.33214732266480 0.66971194840468 0.96565946355773 26.982 > 1 5 Al 0.16785267733520 0.41971194840468 0.46565946355773 26.982 > 5 6 Al 0.16785267733520 0.91971194840468 0.46565946355773 26.982 > 5 7 Al 0.16785267733520 0.41971194840468 0.96565946355773 26.982 > 5 8 Al 0.16785267733520 0.91971194840468 0.96565946355773 26.982 > 5 9 Al 0.33214732266480 0.33028805159532 0.21565946355773 26.982 > 9 10 Al 0.33214732266480 0.83028805159532 0.21565946355773 26.982 > 9 11 Al 0.33214732266480 0.33028805159532 0.71565946355773 26.982 > 9 12 Al 0.33214732266480 0.83028805159532 0.71565946355773 26.982 > 9 13 Al 0.16785267733520 0.08028805159532 0.21565946355773 26.982 > 13 14 Al 0.16785267733520 0.58028805159532 0.21565946355773 26.982 > 13 15 Al 0.16785267733520 0.08028805159532 0.71565946355773 26.982 > 13 16 Al 0.16785267733520 0.58028805159532 0.71565946355773 26.982 > 13 17 Al 0.83214732266480 0.41971194840468 0.46565946355773 26.982 > 1 18 Al 0.83214732266480 0.91971194840468 0.46565946355773 26.982 > 1 19 Al 0.83214732266480 0.41971194840468 0.96565946355773 26.982 > 1 20 Al 0.83214732266480 0.91971194840468 0.96565946355773 26.982 > 1 21 Al 0.66785267733520 0.16971194840468 0.46565946355773 26.982 > 5 22 Al 0.66785267733520 0.66971194840468 0.46565946355773 26.982 > 5 23 Al 0.66785267733520 0.16971194840468 0.96565946355773 26.982 > 5 24 Al 0.66785267733520 0.66971194840468 0.96565946355773 26.982 > 5 25 Al 0.83214732266480 0.08028805159532 0.21565946355773 26.982 > 9 26 Al 0.83214732266480 0.58028805159532 0.21565946355773 26.982 > 9 27 Al 0.83214732266480 0.08028805159532 0.71565946355773 26.982 > 9 28 Al 0.83214732266480 0.58028805159532 0.71565946355773 26.982 > 9 29 Al 0.66785267733520 0.33028805159532 0.21565946355773 26.982 > 13 30 Al 0.66785267733520 0.83028805159532 0.21565946355773 26.982 > 13 31 Al 0.66785267733520 0.33028805159532 0.71565946355773 26.982 > 13 32 Al 0.66785267733520 0.83028805159532 0.71565946355773 26.982 > 13 33 O 0.00000000000000 0.10927940346180 0.24538720144983 15.999 > 33 34 O 0.00000000000000 0.60927940346180 0.24538720144983 15.999 > 33 35 O 0.00000000000000 0.10927940346180 0.74538720144983 15.999 > 33 36 O 0.00000000000000 0.60927940346180 0.74538720144983 15.999 > 33 37 O 0.27850233250691 0.19017336641057 0.29358193321735 15.999 > 37 38 O 0.27850233250691 0.69017336641057 0.29358193321735 15.999 > 37 39 O 0.27850233250691 0.19017336641057 0.79358193321735 15.999 > 37 40 O 0.27850233250691 0.69017336641057 0.79358193321735 15.999 > 37 41 O 0.22149766749309 0.44017336641057 0.29358193321735 15.999 > 41 42 O 0.22149766749309 0.94017336641057 0.29358193321735 15.999 > 41 43 O 0.22149766749309 0.44017336641057 0.79358193321735 15.999 > 41 44 O 0.22149766749309 0.94017336641057 0.79358193321735 15.999 > 41 45 O 0.27850233250691 0.30982663358943 0.04358193321735 15.999 > 45 46 O 0.27850233250691 0.80982663358943 0.04358193321735 15.999 > 45 47 O 0.27850233250691 0.30982663358943 0.54358193321735 15.999 > 45 48 O 0.27850233250691 0.80982663358943 0.54358193321735 15.999 > 45 49 O 0.22149766749309 0.05982663358943 0.04358193321735 15.999 > 49 50 O 0.22149766749309 0.55982663358943 0.04358193321735 15.999 > 49 51 O 0.22149766749309 0.05982663358943 0.54358193321735 15.999 > 49 52 O 0.22149766749309 0.55982663358943 0.54358193321735 15.999 > 49 53 O 0.00000000000000 0.39072059653820 0.49538720144983 15.999 > 53 54 O 0.00000000000000 0.89072059653820 0.49538720144983 15.999 > 53 55 O 0.00000000000000 0.39072059653820 0.99538720144983 15.999 > 53 56 O 0.00000000000000 0.89072059653820 0.99538720144983 15.999 > 53 57 O 0.50000000000000 0.35927940346180 0.24538720144983 15.999 > 33 58 O 0.50000000000000 0.85927940346180 0.24538720144983 15.999 > 33 59 O 0.50000000000000 0.35927940346180 0.74538720144983 15.999 > 33 60 O 0.50000000000000 0.85927940346180 0.74538720144983 15.999 > 33 61 O 0.77850233250691 0.44017336641057 0.29358193321735 15.999 > 37 62 O 0.77850233250691 0.94017336641057 0.29358193321735 15.999 > 37 63 O 0.77850233250691 0.44017336641057 0.79358193321735 15.999 > 37 64 O 0.77850233250691 0.94017336641057 0.79358193321735 15.999 > 37 65 O 0.72149766749309 0.19017336641057 0.29358193321735 15.999 > 41 66 O 0.72149766749309 0.69017336641057 0.29358193321735 15.999 > 41 67 O 0.72149766749309 0.19017336641057 0.79358193321735 15.999 > 41 68 O 0.72149766749309 0.69017336641057 0.79358193321735 15.999 > 41 69 O 0.77850233250691 0.05982663358943 0.04358193321735 15.999 > 45 70 O 0.77850233250691 0.55982663358943 0.04358193321735 15.999 > 45 71 O 0.77850233250691 0.05982663358943 0.54358193321735 15.999 > 45 72 O 0.77850233250691 0.55982663358943 0.54358193321735 15.999 > 45 73 O 0.72149766749309 0.30982663358943 0.04358193321735 15.999 > 49 74 O 0.72149766749309 0.80982663358943 0.04358193321735 15.999 > 49 75 O 0.72149766749309 0.30982663358943 0.54358193321735 15.999 > 49 76 O 0.72149766749309 0.80982663358943 0.54358193321735 15.999 > 49 77 O 0.50000000000000 0.14072059653820 0.49538720144983 15.999 > 53 78 O 0.50000000000000 0.64072059653820 0.49538720144983 15.999 > 53 79 O 0.50000000000000 0.14072059653820 0.99538720144983 15.999 > 53 80 O 0.50000000000000 0.64072059653820 0.99538720144983 15.999 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5705623 0.0000000 0.0000000 0.0000000 2.5407509 0.0000000 0.0000000 0.0000000 2.6276943 -------------------------- Born effective charges -------------------------- 1 Al 2.6393897 0.0513722 0.0128402 0.1951383 2.5198225 -0.0235129 -0.0483918 -0.0441785 2.6211857 2 Al 2.6393897 -0.0513722 -0.0128402 -0.1951383 2.5198225 -0.0235129 0.0483918 -0.0441785 2.6211857 3 Al 2.6393897 -0.0513722 0.0128402 -0.1951383 2.5198225 0.0235129 -0.0483918 0.0441785 2.6211857 4 Al 2.6393897 0.0513722 -0.0128402 0.1951383 2.5198225 0.0235129 0.0483918 0.0441785 2.6211857 5 O -2.4317566 0.0000000 0.0000000 0.0000000 -1.2432807 0.0146663 0.0000000 0.0022603 -1.2953801 6 O -1.4235114 -0.3798502 -0.2190274 -0.4284384 -1.8981821 0.0573010 -0.2047092 0.1055433 -1.9734957 7 O -1.4235114 0.3798502 0.2190274 0.4284384 -1.8981821 0.0573010 0.2047092 0.1055433 -1.9734957 8 O -1.4235114 0.3798502 -0.2190274 0.4284384 -1.8981821 -0.0573010 -0.2047092 -0.1055433 -1.9734957 9 O -1.4235114 -0.3798502 0.2190274 -0.4284384 -1.8981821 -0.0573010 0.2047092 -0.1055433 -1.9734957 10 O -2.4317566 0.0000000 0.0000000 0.0000000 -1.2432807 -0.0146663 0.0000000 -0.0022603 -1.2953801 ---------------------------------------------------------------------------- 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[ 37, 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: -0.00000009 (xyx) -0.00000009 (xyx) -0.00000009 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) 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 23:25:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:25:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.859407455000000 -2.764628140000001 0.000000000000000 b 4.859407455000000 2.764628140000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.941010340000001 Atomic positions (fractional): 1 Al 0.99272342585544 0.67157121947415 0.93131892711547 26.982 2 Al 0.32842878052585 0.00727657414456 0.93131892711547 26.982 3 Al 0.67157121947415 0.99272342585544 0.43131892711547 26.982 4 Al 0.00727657414456 0.32842878052585 0.43131892711547 26.982 5 O 0.78144119307640 0.21855880692360 0.49077440289965 15.999 6 O 0.89815559968577 0.65884906532804 0.58716386643470 15.999 7 O 0.34115093467196 0.10184440031423 0.58716386643470 15.999 8 O 0.65884906532804 0.89815559968577 0.08716386643471 15.999 9 O 0.10184440031423 0.34115093467196 0.08716386643471 15.999 10 O 0.21855880692360 0.78144119307640 0.99077440289965 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.718814910000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.058512560000002 0.000000000000000 c 0.000000000000000 0.000000000000000 9.882020680000002 Atomic positions (fractional): 1 Al 0.33214732266480 0.16971194840468 0.46565946355773 26.982 > 1 2 Al 0.33214732266480 0.66971194840468 0.46565946355773 26.982 > 1 3 Al 0.33214732266480 0.16971194840468 0.96565946355773 26.982 > 1 4 Al 0.33214732266480 0.66971194840468 0.96565946355773 26.982 > 1 5 Al 0.16785267733520 0.41971194840468 0.46565946355773 26.982 > 5 6 Al 0.16785267733520 0.91971194840468 0.46565946355773 26.982 > 5 7 Al 0.16785267733520 0.41971194840468 0.96565946355773 26.982 > 5 8 Al 0.16785267733520 0.91971194840468 0.96565946355773 26.982 > 5 9 Al 0.33214732266480 0.33028805159532 0.21565946355773 26.982 > 9 10 Al 0.33214732266480 0.83028805159532 0.21565946355773 26.982 > 9 11 Al 0.33214732266480 0.33028805159532 0.71565946355773 26.982 > 9 12 Al 0.33214732266480 0.83028805159532 0.71565946355773 26.982 > 9 13 Al 0.16785267733520 0.08028805159532 0.21565946355773 26.982 > 13 14 Al 0.16785267733520 0.58028805159532 0.21565946355773 26.982 > 13 15 Al 0.16785267733520 0.08028805159532 0.71565946355773 26.982 > 13 16 Al 0.16785267733520 0.58028805159532 0.71565946355773 26.982 > 13 17 Al 0.83214732266480 0.41971194840468 0.46565946355773 26.982 > 1 18 Al 0.83214732266480 0.91971194840468 0.46565946355773 26.982 > 1 19 Al 0.83214732266480 0.41971194840468 0.96565946355773 26.982 > 1 20 Al 0.83214732266480 0.91971194840468 0.96565946355773 26.982 > 1 21 Al 0.66785267733520 0.16971194840468 0.46565946355773 26.982 > 5 22 Al 0.66785267733520 0.66971194840468 0.46565946355773 26.982 > 5 23 Al 0.66785267733520 0.16971194840468 0.96565946355773 26.982 > 5 24 Al 0.66785267733520 0.66971194840468 0.96565946355773 26.982 > 5 25 Al 0.83214732266480 0.08028805159532 0.21565946355773 26.982 > 9 26 Al 0.83214732266480 0.58028805159532 0.21565946355773 26.982 > 9 27 Al 0.83214732266480 0.08028805159532 0.71565946355773 26.982 > 9 28 Al 0.83214732266480 0.58028805159532 0.71565946355773 26.982 > 9 29 Al 0.66785267733520 0.33028805159532 0.21565946355773 26.982 > 13 30 Al 0.66785267733520 0.83028805159532 0.21565946355773 26.982 > 13 31 Al 0.66785267733520 0.33028805159532 0.71565946355773 26.982 > 13 32 Al 0.66785267733520 0.83028805159532 0.71565946355773 26.982 > 13 33 O 0.00000000000000 0.10927940346180 0.24538720144983 15.999 > 33 34 O 0.00000000000000 0.60927940346180 0.24538720144983 15.999 > 33 35 O 0.00000000000000 0.10927940346180 0.74538720144983 15.999 > 33 36 O 0.00000000000000 0.60927940346180 0.74538720144983 15.999 > 33 37 O 0.27850233250691 0.19017336641057 0.29358193321735 15.999 > 37 38 O 0.27850233250691 0.69017336641057 0.29358193321735 15.999 > 37 39 O 0.27850233250691 0.19017336641057 0.79358193321735 15.999 > 37 40 O 0.27850233250691 0.69017336641057 0.79358193321735 15.999 > 37 41 O 0.22149766749309 0.44017336641057 0.29358193321735 15.999 > 41 42 O 0.22149766749309 0.94017336641057 0.29358193321735 15.999 > 41 43 O 0.22149766749309 0.44017336641057 0.79358193321735 15.999 > 41 44 O 0.22149766749309 0.94017336641057 0.79358193321735 15.999 > 41 45 O 0.27850233250691 0.30982663358943 0.04358193321735 15.999 > 45 46 O 0.27850233250691 0.80982663358943 0.04358193321735 15.999 > 45 47 O 0.27850233250691 0.30982663358943 0.54358193321735 15.999 > 45 48 O 0.27850233250691 0.80982663358943 0.54358193321735 15.999 > 45 49 O 0.22149766749309 0.05982663358943 0.04358193321735 15.999 > 49 50 O 0.22149766749309 0.55982663358943 0.04358193321735 15.999 > 49 51 O 0.22149766749309 0.05982663358943 0.54358193321735 15.999 > 49 52 O 0.22149766749309 0.55982663358943 0.54358193321735 15.999 > 49 53 O 0.00000000000000 0.39072059653820 0.49538720144983 15.999 > 53 54 O 0.00000000000000 0.89072059653820 0.49538720144983 15.999 > 53 55 O 0.00000000000000 0.39072059653820 0.99538720144983 15.999 > 53 56 O 0.00000000000000 0.89072059653820 0.99538720144983 15.999 > 53 57 O 0.50000000000000 0.35927940346180 0.24538720144983 15.999 > 33 58 O 0.50000000000000 0.85927940346180 0.24538720144983 15.999 > 33 59 O 0.50000000000000 0.35927940346180 0.74538720144983 15.999 > 33 60 O 0.50000000000000 0.85927940346180 0.74538720144983 15.999 > 33 61 O 0.77850233250691 0.44017336641057 0.29358193321735 15.999 > 37 62 O 0.77850233250691 0.94017336641057 0.29358193321735 15.999 > 37 63 O 0.77850233250691 0.44017336641057 0.79358193321735 15.999 > 37 64 O 0.77850233250691 0.94017336641057 0.79358193321735 15.999 > 37 65 O 0.72149766749309 0.19017336641057 0.29358193321735 15.999 > 41 66 O 0.72149766749309 0.69017336641057 0.29358193321735 15.999 > 41 67 O 0.72149766749309 0.19017336641057 0.79358193321735 15.999 > 41 68 O 0.72149766749309 0.69017336641057 0.79358193321735 15.999 > 41 69 O 0.77850233250691 0.05982663358943 0.04358193321735 15.999 > 45 70 O 0.77850233250691 0.55982663358943 0.04358193321735 15.999 > 45 71 O 0.77850233250691 0.05982663358943 0.54358193321735 15.999 > 45 72 O 0.77850233250691 0.55982663358943 0.54358193321735 15.999 > 45 73 O 0.72149766749309 0.30982663358943 0.04358193321735 15.999 > 49 74 O 0.72149766749309 0.80982663358943 0.04358193321735 15.999 > 49 75 O 0.72149766749309 0.30982663358943 0.54358193321735 15.999 > 49 76 O 0.72149766749309 0.80982663358943 0.54358193321735 15.999 > 49 77 O 0.50000000000000 0.14072059653820 0.49538720144983 15.999 > 53 78 O 0.50000000000000 0.64072059653820 0.49538720144983 15.999 > 53 79 O 0.50000000000000 0.14072059653820 0.99538720144983 15.999 > 53 80 O 0.50000000000000 0.64072059653820 0.99538720144983 15.999 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5705623 0.0000000 0.0000000 0.0000000 2.5407509 0.0000000 0.0000000 0.0000000 2.6276943 -------------------------- Born effective charges -------------------------- 1 Al 2.6393897 0.0513722 0.0128402 0.1951383 2.5198225 -0.0235129 -0.0483918 -0.0441785 2.6211857 2 Al 2.6393897 -0.0513722 -0.0128402 -0.1951383 2.5198225 -0.0235129 0.0483918 -0.0441785 2.6211857 3 Al 2.6393897 -0.0513722 0.0128402 -0.1951383 2.5198225 0.0235129 -0.0483918 0.0441785 2.6211857 4 Al 2.6393897 0.0513722 -0.0128402 0.1951383 2.5198225 0.0235129 0.0483918 0.0441785 2.6211857 5 O -2.4317566 0.0000000 0.0000000 0.0000000 -1.2432807 0.0146663 0.0000000 0.0022603 -1.2953801 6 O -1.4235114 -0.3798502 -0.2190274 -0.4284384 -1.8981821 0.0573010 -0.2047092 0.1055433 -1.9734957 7 O -1.4235114 0.3798502 0.2190274 0.4284384 -1.8981821 0.0573010 0.2047092 0.1055433 -1.9734957 8 O -1.4235114 0.3798502 -0.2190274 0.4284384 -1.8981821 -0.0573010 -0.2047092 -0.1055433 -1.9734957 9 O -1.4235114 -0.3798502 0.2190274 -0.4284384 -1.8981821 -0.0573010 0.2047092 -0.1055433 -1.9734957 10 O -2.4317566 0.0000000 0.0000000 0.0000000 -1.2432807 -0.0146663 0.0000000 -0.0022603 -1.2953801 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (xyx) -0.00000009 (xyx) -0.00000009 (xxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 10 10 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: 0.81, Number of G-points: 279, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/186) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 186 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 4.601 ( 0.000 0.000 -0.000) 0.000 4.802 ( 0.000 0.000 -0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 7.210 ( 0.000 0.000 0.000) 0.000 7.707 ( 0.000 0.000 -0.000) 0.000 9.315 ( 0.000 0.000 -0.000) 0.000 9.341 ( 0.000 0.000 -0.000) 0.000 9.506 ( 0.000 0.000 -0.000) 0.000 10.480 ( 0.000 0.000 0.000) 0.000 11.387 ( 0.000 0.000 0.000) 0.000 11.780 ( 0.000 0.000 0.000) 0.000 14.135 ( 0.000 0.000 0.000) 0.000 15.708 ( 0.000 0.000 0.000) 0.000 17.250 ( 0.000 0.000 -0.000) 0.000 17.919 ( 0.000 0.000 0.000) 0.000 19.687 ( 0.000 0.000 0.000) 0.000 20.642 ( 0.000 0.000 0.000) 0.000 20.693 ( 0.000 0.000 -0.000) 0.000 20.782 ( 0.000 0.000 0.000) 0.000 21.164 ( 0.000 0.000 0.000) 0.000 21.703 ( 0.000 0.000 0.000) 0.000 22.734 ( 0.000 0.000 0.000) 0.000 22.760 ( 0.000 0.000 -0.000) 0.000 23.149 ( 0.000 0.000 0.000) 0.000 31.017 ( 0.000 0.000 -0.000) 0.000 31.032 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/186) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 24.345 -37.499 0.000) 44.709 0.975 ( 27.459 -35.347 0.000) 44.760 1.557 ( 40.393 -60.242 0.000) 72.531 4.506 ( -10.989 4.523 0.000) 11.883 4.997 ( 2.102 -12.708 0.000) 12.880 5.059 ( -11.101 -16.078 0.000) 19.538 6.226 ( 31.367 -6.025 0.000) 31.940 7.356 ( -11.298 -2.717 0.000) 11.620 7.821 ( -5.299 -15.590 0.000) 16.466 9.095 ( 2.903 34.443 0.000) 34.565 9.264 ( -5.222 8.123 0.000) 9.656 10.222 ( -47.480 -26.166 0.000) 54.213 10.843 ( 3.231 -27.008 0.000) 27.200 11.369 ( -4.011 -0.559 0.000) 4.050 11.884 ( 29.789 39.116 0.000) 49.167 14.288 ( 9.732 -8.433 0.000) 12.877 15.597 ( -1.968 10.599 0.000) 10.780 17.232 ( -1.966 4.707 0.000) 5.101 17.897 ( -1.635 2.851 0.000) 3.287 19.661 ( -6.147 -0.102 0.000) 6.148 20.474 ( -19.054 -0.376 0.000) 19.058 20.807 ( 11.880 3.821 0.000) 12.479 21.216 ( 3.020 -5.665 0.000) 6.420 21.729 ( -1.456 -3.859 0.000) 4.125 22.435 ( -36.159 -17.617 0.000) 40.222 22.817 ( -9.277 -12.610 0.000) 15.655 23.168 ( -0.281 -2.506 0.000) 2.521 24.981 ( -95.696 -50.173 0.000) 108.051 31.058 ( 0.438 -2.455 0.000) 2.494 32.100 ( 131.243 73.427 0.000) 150.387 ======================= Grid point 2 (3/186) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 31.477 -21.234 0.000) 37.969 1.888 ( 12.803 -43.263 0.000) 45.117 2.965 ( 35.653 -49.835 0.000) 61.275 4.449 ( -6.724 -8.887 0.000) 11.144 5.189 ( -6.879 -11.748 0.000) 13.614 5.320 ( 3.982 -18.113 0.000) 18.546 6.760 ( 37.141 -8.455 0.000) 38.091 7.270 ( -13.884 -3.973 0.000) 14.441 8.146 ( -7.537 -22.475 0.000) 23.706 8.460 ( 7.269 33.458 0.000) 34.238 9.024 ( -1.987 13.842 0.000) 13.984 10.185 ( -27.216 -11.356 0.000) 29.490 11.224 ( -3.089 7.882 0.000) 8.466 11.391 ( 2.907 -3.126 0.000) 4.269 11.467 ( 6.309 4.890 0.000) 7.982 14.476 ( 7.177 2.962 0.000) 7.765 15.391 ( -0.280 5.718 0.000) 5.725 17.066 ( -2.450 11.210 0.000) 11.474 17.828 ( 0.146 3.286 0.000) 3.289 19.532 ( -17.090 1.838 0.000) 17.189 20.317 ( -14.882 -2.752 0.000) 15.134 20.777 ( 4.405 7.215 0.000) 8.453 21.441 ( 10.247 -10.275 0.000) 14.511 21.814 ( -1.685 -7.157 0.000) 7.353 22.384 ( -9.137 -2.655 0.000) 9.515 22.929 ( -8.850 -8.496 0.000) 12.268 23.253 ( 0.637 -7.324 0.000) 7.352 24.867 ( -42.928 -16.251 0.000) 45.901 31.124 ( 0.495 -4.105 0.000) 4.135 32.129 ( 61.960 33.374 0.000) 70.377 ======================= Grid point 3 (4/186) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( 19.797 -9.786 0.000) 22.084 2.790 ( 11.877 -41.822 0.000) 43.476 3.965 ( 22.875 -22.679 0.000) 32.212 4.680 ( -3.927 -23.626 0.000) 23.950 5.435 ( -5.587 -20.677 0.000) 21.418 5.721 ( 19.086 -14.850 0.000) 24.183 6.890 ( -5.681 10.470 0.000) 11.912 7.480 ( 9.271 -10.452 0.000) 13.971 7.821 ( 14.738 24.466 0.000) 28.562 8.660 ( -2.487 -2.671 0.000) 3.650 8.875 ( 5.489 -17.352 0.000) 18.200 10.064 ( -25.662 -5.805 0.000) 26.310 10.694 ( -2.111 34.468 0.000) 34.532 11.322 ( -4.186 1.352 0.000) 4.399 11.847 ( 5.149 -17.486 0.000) 18.229 14.253 ( -1.631 20.231 0.000) 20.297 15.485 ( 6.334 -9.757 0.000) 11.632 16.784 ( -3.246 16.215 0.000) 16.537 17.789 ( 2.474 2.602 0.000) 3.590 19.261 ( -24.002 3.142 0.000) 24.206 20.280 ( -7.661 -5.416 0.000) 9.382 20.675 ( 2.536 7.526 0.000) 7.942 21.750 ( 11.239 -10.606 0.000) 15.453 21.943 ( -0.720 -8.316 0.000) 8.347 22.342 ( -0.484 1.848 0.000) 1.911 22.925 ( -10.882 -2.679 0.000) 11.206 23.436 ( 3.811 -9.424 0.000) 10.165 24.694 ( -24.945 -3.611 0.000) 25.205 31.206 ( 0.189 -4.273 0.000) 4.277 32.163 ( 35.031 18.209 0.000) 39.481 ======================= Grid point 4 (5/186) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 8.315 -3.474 0.000) 9.012 3.608 ( 11.309 -33.303 0.000) 35.170 4.256 ( 4.013 -1.531 0.000) 4.295 5.152 ( 4.106 -16.484 0.000) 16.987 5.656 ( -9.835 -16.193 0.000) 18.946 6.248 ( 20.710 -14.099 0.000) 25.054 6.615 ( -4.256 7.906 0.000) 8.979 7.180 ( -1.265 25.385 0.000) 25.416 8.174 ( 16.010 -19.181 0.000) 24.985 8.551 ( 11.485 7.857 0.000) 13.915 9.408 ( -5.876 -24.311 0.000) 25.011 9.943 ( -19.153 -11.428 0.000) 22.303 10.047 ( -0.682 33.205 0.000) 33.212 11.194 ( -5.213 7.976 0.000) 9.528 12.129 ( 3.627 -8.330 0.000) 9.085 13.898 ( -1.780 13.852 0.000) 13.966 15.767 ( 6.141 -13.235 0.000) 14.590 16.437 ( -3.717 17.519 0.000) 17.909 17.776 ( 2.453 1.881 0.000) 3.091 18.992 ( -16.959 1.773 0.000) 17.052 20.331 ( -3.949 -6.238 0.000) 7.383 20.566 ( 2.134 6.943 0.000) 7.264 22.003 ( 2.477 -8.154 0.000) 8.522 22.096 ( 3.881 -5.802 0.000) 6.981 22.318 ( 5.942 2.885 0.000) 6.605 22.822 ( -11.769 0.382 0.000) 11.776 23.638 ( 5.269 -6.749 0.000) 8.562 24.506 ( -14.149 1.259 0.000) 14.204 31.272 ( -0.059 -2.734 0.000) 2.734 32.188 ( 16.593 8.457 0.000) 18.624 ======================= Grid point 5 (6/186) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 0.000 -0.000 0.000) 0.000 4.040 ( 0.000 -0.000 0.000) 0.000 4.279 ( 0.000 -0.000 0.000) 0.000 5.190 ( 0.000 -0.000 0.000) 0.000 5.885 ( -0.000 -0.000 0.000) 0.000 6.404 ( 0.000 -0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 -0.000 0.000) 0.000 8.436 ( 0.000 -0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 9.487 ( -0.000 -0.000 0.000) 0.000 9.671 ( 0.000 -0.000 0.000) 0.000 10.079 ( 0.000 -0.000 0.000) 0.000 11.035 ( 0.000 -0.000 0.000) 0.000 12.222 ( 0.000 -0.000 0.000) 0.000 13.763 ( 0.000 -0.000 0.000) 0.000 16.050 ( 0.000 -0.000 0.000) 0.000 16.124 ( 0.000 -0.000 0.000) 0.000 17.771 ( 0.000 -0.000 0.000) 0.000 18.884 ( 0.000 -0.000 0.000) 0.000 20.387 ( -0.000 -0.000 0.000) 0.000 20.495 ( 0.000 0.000 0.000) 0.000 22.098 ( 0.000 -0.000 0.000) 0.000 22.152 ( 0.000 -0.000 0.000) 0.000 22.360 ( 0.000 -0.000 0.000) 0.000 22.732 ( 0.000 -0.000 0.000) 0.000 23.739 ( -0.000 -0.000 0.000) 0.000 24.408 ( 0.000 -0.000 0.000) 0.000 31.297 ( 0.000 -0.000 0.000) 0.000 32.197 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/186) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 29.002 -0.000 0.000) 29.002 0.715 ( 32.238 -0.000 0.000) 32.238 1.937 ( 91.181 -0.000 0.000) 91.181 4.174 ( -29.090 0.000 0.000) 29.090 4.848 ( 2.478 -0.000 0.000) 2.478 5.101 ( 23.460 -0.000 0.000) 23.460 6.487 ( 33.998 -0.000 0.000) 33.998 7.133 ( -6.386 0.000 0.000) 6.386 7.630 ( -7.240 0.000 0.000) 7.240 9.002 ( -17.001 0.000 0.000) 17.001 9.578 ( 10.370 -0.000 0.000) 10.370 9.631 ( 2.303 -0.000 0.000) 2.303 10.539 ( 5.522 -0.000 0.000) 5.522 11.299 ( -8.300 0.000 0.000) 8.300 12.740 ( -1.423 0.000 0.000) 1.423 14.118 ( -1.749 0.000 0.000) 1.749 15.662 ( -6.974 0.000 0.000) 6.974 17.236 ( -1.233 0.000 0.000) 1.233 17.896 ( -1.988 0.000 0.000) 1.988 19.562 ( -13.909 0.000 0.000) 13.909 20.292 ( -18.868 0.000 0.000) 18.868 20.757 ( -2.021 0.000 0.000) 2.021 21.163 ( 11.988 -0.000 0.000) 11.988 21.224 ( 5.259 -0.000 0.000) 5.259 21.670 ( -2.703 0.000 0.000) 2.703 22.735 ( -0.571 0.000 0.000) 0.571 23.142 ( -0.101 0.000 0.000) 0.101 24.244 ( 22.373 -0.000 0.000) 22.373 31.029 ( -0.356 0.000 0.000) 0.356 34.171 ( -3.321 0.000 0.000) 3.321 ======================= Grid point 13 (8/186) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 20.346 -34.951 0.000) 40.442 1.546 ( 24.607 -40.661 0.000) 47.527 2.930 ( 71.536 -12.478 0.000) 72.616 4.039 ( -21.310 -12.620 0.000) 24.766 4.979 ( 2.188 -9.396 0.000) 9.647 5.387 ( 32.546 -0.124 0.000) 32.547 6.941 ( 23.260 -13.283 0.000) 26.786 7.084 ( -5.315 1.313 0.000) 5.475 7.665 ( -9.276 -14.994 0.000) 17.631 8.960 ( -19.009 -6.909 0.000) 20.226 9.193 ( 5.779 32.865 0.000) 33.369 9.826 ( -0.381 -6.373 0.000) 6.385 10.918 ( 4.416 -25.923 0.000) 26.297 11.219 ( -9.932 -2.787 0.000) 10.316 12.196 ( 5.685 41.830 0.000) 42.214 14.373 ( -3.154 -17.214 0.000) 17.500 15.489 ( -8.776 7.247 0.000) 11.381 17.182 ( -2.541 4.808 0.000) 5.438 17.861 ( -1.594 1.404 0.000) 2.125 19.355 ( -23.169 1.638 0.000) 23.227 20.145 ( -10.225 -1.556 0.000) 10.343 20.993 ( 7.089 7.021 0.000) 9.978 21.174 ( -9.509 -23.128 0.000) 25.006 21.665 ( -4.933 -9.506 0.000) 10.710 21.752 ( -8.409 -29.334 0.000) 30.515 22.740 ( -3.801 -2.804 0.000) 4.723 23.168 ( 2.062 -2.433 0.000) 3.189 24.530 ( 16.089 -2.879 0.000) 16.344 31.048 ( -0.893 -2.649 0.000) 2.795 33.542 ( 26.458 51.356 0.000) 57.771 ======================= Grid point 14 (9/186) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 16.329 -40.278 0.000) 43.462 2.397 ( 29.843 -18.125 0.000) 34.916 3.781 ( 20.972 -31.405 0.000) 37.764 4.214 ( 9.577 -10.884 0.000) 14.498 5.152 ( -1.252 -8.432 0.000) 8.524 5.828 ( 39.864 -7.268 0.000) 40.521 6.870 ( -18.402 4.058 0.000) 18.844 7.443 ( 19.883 -11.679 0.000) 23.060 7.991 ( -6.330 -25.792 0.000) 26.557 8.598 ( 3.077 27.297 0.000) 27.470 8.939 ( -0.630 1.743 0.000) 1.854 9.815 ( -9.570 1.455 0.000) 9.680 11.104 ( -5.537 4.098 0.000) 6.888 11.465 ( 4.045 -12.989 0.000) 13.604 11.559 ( 1.801 20.141 0.000) 20.221 14.409 ( -15.452 5.269 0.000) 16.325 15.399 ( 1.149 -5.281 0.000) 5.404 17.001 ( -3.602 11.547 0.000) 12.096 17.820 ( -2.474 1.236 0.000) 2.766 19.070 ( -22.016 2.202 0.000) 22.126 20.125 ( -4.931 -4.297 0.000) 6.540 20.872 ( 5.020 10.121 0.000) 11.297 21.544 ( -1.595 -21.018 0.000) 21.078 21.764 ( -3.459 -9.095 0.000) 9.730 22.107 ( -11.137 -19.105 0.000) 22.114 22.733 ( -10.573 -3.775 0.000) 11.227 23.298 ( 5.748 -7.569 0.000) 9.504 24.632 ( 10.952 6.232 0.000) 12.601 31.097 ( -2.356 -4.313 0.000) 4.915 33.044 ( 27.067 36.038 0.000) 45.071 ======================= Grid point 15 (10/186) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 27.313 4.782 0.000) 27.729 3.075 ( 15.284 -39.576 0.000) 42.425 4.415 ( 5.519 -6.247 0.000) 8.336 4.660 ( 21.350 -34.982 0.000) 40.983 5.249 ( -10.596 -8.521 0.000) 13.597 6.340 ( 25.468 -6.417 0.000) 26.264 6.569 ( -19.630 6.316 0.000) 20.621 7.662 ( 6.353 15.024 0.000) 16.312 8.084 ( 7.818 -4.235 0.000) 8.891 8.617 ( 2.055 -13.969 0.000) 14.119 9.046 ( 9.933 -9.738 0.000) 13.910 9.642 ( -14.198 -0.337 0.000) 14.202 10.695 ( 4.445 34.999 0.000) 35.280 11.275 ( -0.850 3.989 0.000) 4.079 11.901 ( 0.085 -18.052 0.000) 18.052 14.014 ( -21.818 11.553 0.000) 24.688 15.615 ( 5.749 -11.262 0.000) 12.644 16.705 ( -4.113 16.222 0.000) 16.735 17.748 ( -9.247 -0.064 0.000) 9.247 18.892 ( -6.271 0.142 0.000) 6.273 20.181 ( -2.839 -5.986 0.000) 6.625 20.747 ( 4.412 9.043 0.000) 10.062 21.823 ( -2.161 -10.929 0.000) 11.141 21.963 ( 0.189 -14.074 0.000) 14.075 22.259 ( -6.420 -8.957 0.000) 11.020 22.660 ( -14.153 -3.247 0.000) 14.521 23.530 ( 7.368 -9.181 0.000) 11.772 24.573 ( 8.715 10.043 0.000) 13.297 31.147 ( -4.772 -5.062 0.000) 6.957 32.734 ( 19.395 25.897 0.000) 32.355 ======================= Grid point 16 (11/186) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 22.585 12.700 0.000) 25.911 3.870 ( 14.168 -26.785 0.000) 30.301 4.475 ( 15.460 8.991 0.000) 17.885 5.144 ( -4.616 -1.042 0.000) 4.732 5.532 ( -1.452 -30.447 0.000) 30.481 6.322 ( -19.174 -7.639 0.000) 20.640 6.481 ( -4.345 0.670 0.000) 4.397 7.220 ( 2.789 30.364 0.000) 30.492 8.434 ( 10.344 -7.762 0.000) 12.932 8.761 ( 7.797 1.600 0.000) 7.959 9.143 ( -17.574 -5.888 0.000) 18.534 9.873 ( 12.335 -23.490 0.000) 26.532 10.171 ( 12.476 28.579 0.000) 31.183 11.175 ( 3.147 8.632 0.000) 9.188 12.118 ( -4.620 -8.266 0.000) 9.469 13.670 ( -19.970 1.040 0.000) 19.997 15.878 ( 4.338 -12.040 0.000) 12.798 16.351 ( -4.344 17.635 0.000) 18.162 17.661 ( -12.328 -3.609 0.000) 12.845 18.937 ( 10.851 -1.737 0.000) 10.989 20.273 ( -2.008 -6.633 0.000) 6.931 20.638 ( 4.910 8.149 0.000) 9.514 21.961 ( -4.868 -9.042 0.000) 10.269 22.131 ( -2.443 -3.783 0.000) 4.504 22.293 ( -7.396 -1.119 0.000) 7.481 22.651 ( -5.062 -9.654 0.000) 10.900 23.716 ( 5.111 -2.294 0.000) 5.602 24.520 ( 11.603 4.964 0.000) 12.620 31.175 ( -7.810 -5.111 0.000) 9.333 32.475 ( 10.273 20.101 0.000) 22.574 ======================= Grid point 17 (12/186) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 17.576 18.125 0.000) 25.247 4.020 ( -2.242 19.240 0.000) 19.370 4.452 ( 15.482 11.207 0.000) 19.113 5.247 ( -1.545 -2.265 0.000) 2.742 5.589 ( -19.241 -10.995 0.000) 22.161 6.373 ( -17.273 -2.234 0.000) 17.417 6.639 ( 12.656 13.529 0.000) 18.526 6.756 ( -5.582 -15.357 0.000) 16.340 8.350 ( -15.512 4.459 0.000) 16.140 8.488 ( -5.853 27.074 0.000) 27.699 9.461 ( 2.299 -31.925 0.000) 32.008 9.908 ( 9.505 19.441 0.000) 21.640 10.316 ( 24.546 0.934 0.000) 24.564 11.162 ( 11.608 -3.081 0.000) 12.010 12.120 ( -9.680 -1.003 0.000) 9.732 13.584 ( -15.896 -12.060 0.000) 19.954 15.982 ( -4.336 16.166 0.000) 16.737 16.168 ( 2.350 -14.820 0.000) 15.005 17.639 ( -8.834 -5.832 0.000) 10.586 19.148 ( 19.872 -3.254 0.000) 20.137 20.369 ( -1.216 -5.456 0.000) 5.590 20.563 ( 6.354 5.959 0.000) 8.711 21.980 ( -17.643 -0.541 0.000) 17.651 22.112 ( -1.329 -2.481 0.000) 2.814 22.214 ( -2.586 2.094 0.000) 3.328 22.844 ( 3.506 -9.467 0.000) 10.095 23.691 ( -0.474 6.545 0.000) 6.563 24.675 ( 20.165 -3.283 0.000) 20.430 31.167 ( -11.109 -4.691 0.000) 12.059 32.206 ( 0.666 16.084 0.000) 16.098 ======================= Grid point 18 (13/186) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 7.204 25.377 0.000) 26.379 3.415 ( -6.920 37.250 0.000) 37.887 4.279 ( 3.588 22.341 0.000) 22.628 4.848 ( -25.840 12.811 0.000) 28.842 5.851 ( 7.943 1.108 0.000) 8.020 6.032 ( 6.444 27.059 0.000) 27.816 6.558 ( -6.065 -18.685 0.000) 19.645 7.194 ( -8.950 -20.308 0.000) 22.192 7.844 ( -6.816 26.693 0.000) 27.549 8.313 ( -12.029 -15.437 0.000) 19.570 9.474 ( 2.015 33.293 0.000) 33.354 10.095 ( 2.561 -32.495 0.000) 32.596 10.471 ( 25.594 6.659 0.000) 26.446 11.377 ( 11.659 -1.583 0.000) 11.766 11.981 ( -10.009 5.168 0.000) 11.265 13.786 ( -10.000 -24.486 0.000) 26.449 15.647 ( -4.811 14.737 0.000) 15.503 16.496 ( 1.998 -17.956 0.000) 18.067 17.677 ( -4.486 -5.553 0.000) 7.139 19.425 ( 19.035 -3.950 0.000) 19.440 20.430 ( 3.910 -0.195 0.000) 3.914 20.577 ( 5.358 -0.691 0.000) 5.402 21.723 ( -19.693 4.907 0.000) 20.295 22.091 ( 1.262 6.320 0.000) 6.445 22.225 ( -2.447 -6.024 0.000) 6.502 23.014 ( 5.036 -3.986 0.000) 6.422 23.528 ( -3.143 8.291 0.000) 8.867 25.008 ( 28.093 -5.208 0.000) 28.572 31.115 ( -14.552 -4.151 0.000) 15.132 31.905 ( -8.293 12.894 0.000) 15.331 ======================= Grid point 19 (14/186) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -7.533 33.321 0.000) 34.161 2.613 ( -4.710 43.847 0.000) 44.099 3.639 ( -8.416 44.686 0.000) 45.472 4.474 ( -13.268 4.384 0.000) 13.973 5.640 ( 5.397 20.125 0.000) 20.836 5.794 ( 26.076 22.521 0.000) 34.455 6.537 ( -32.411 6.614 0.000) 33.079 7.500 ( 6.930 3.798 0.000) 7.902 7.615 ( -5.801 -33.202 0.000) 33.705 8.637 ( -3.102 -24.019 0.000) 24.218 8.840 ( 0.807 35.444 0.000) 35.454 10.564 ( 18.014 0.009 0.000) 18.014 10.718 ( -0.599 -26.396 0.000) 26.403 11.433 ( 5.241 3.308 0.000) 6.197 11.710 ( -6.674 15.368 0.000) 16.754 14.169 ( -5.631 -22.226 0.000) 22.928 15.388 ( -2.538 7.702 0.000) 8.110 16.831 ( 1.211 -16.449 0.000) 16.494 17.743 ( -1.237 -5.003 0.000) 5.154 19.634 ( 9.221 -2.162 0.000) 9.471 20.500 ( 9.863 -0.270 0.000) 9.867 20.656 ( 1.727 -2.579 0.000) 3.104 21.444 ( -13.979 5.675 0.000) 15.087 21.966 ( 0.778 8.032 0.000) 8.069 22.324 ( -0.939 -6.741 0.000) 6.807 23.085 ( 4.169 1.484 0.000) 4.425 23.351 ( -3.068 7.228 0.000) 7.853 25.421 ( 31.538 -5.794 0.000) 32.066 31.019 ( -17.644 -3.635 0.000) 18.014 31.575 ( -12.291 11.420 0.000) 16.777 ======================= Grid point 20 (15/186) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 36.526 0.000) 36.526 1.756 ( 0.000 47.519 0.000) 47.519 2.596 ( 0.000 62.527 0.000) 62.527 4.415 ( -0.000 -3.962 0.000) 3.962 5.288 ( 0.000 19.979 0.000) 19.979 5.585 ( 0.000 24.200 0.000) 24.200 6.132 ( 0.000 6.987 0.000) 6.987 7.439 ( 0.000 3.043 0.000) 3.043 8.250 ( 0.000 28.298 0.000) 28.298 8.361 ( -0.000 -43.167 0.000) 43.167 9.028 ( -0.000 -18.468 0.000) 18.468 10.657 ( 0.000 1.269 0.000) 1.269 11.135 ( -0.000 -9.294 0.000) 9.294 11.358 ( 0.000 7.837 0.000) 7.837 11.412 ( 0.000 1.866 0.000) 1.866 14.335 ( 0.000 0.550 0.000) 0.550 15.396 ( -0.000 -9.430 0.000) 9.430 17.093 ( -0.000 -11.374 0.000) 11.374 17.829 ( -0.000 -4.858 0.000) 4.858 19.696 ( -0.000 -0.118 0.000) 0.118 20.624 ( -0.000 -3.452 0.000) 3.452 20.657 ( 0.000 0.759 0.000) 0.759 21.274 ( 0.000 4.806 0.000) 4.806 21.833 ( 0.000 6.752 0.000) 6.752 22.451 ( -0.000 -7.615 0.000) 7.615 23.039 ( 0.000 6.120 0.000) 6.120 23.225 ( 0.000 4.506 0.000) 4.506 25.777 ( -0.000 -8.070 0.000) 8.070 30.927 ( -0.000 -1.474 0.000) 1.474 31.286 ( 0.000 10.752 0.000) 10.752 ======================= Grid point 23 (16/186) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 24.628 -0.000 0.000) 24.628 1.255 ( 18.321 -0.000 0.000) 18.321 3.643 ( 69.303 -0.000 0.000) 69.303 3.732 ( -9.373 0.000 0.000) 9.373 4.972 ( 13.300 -0.000 0.000) 13.300 5.796 ( 43.106 -0.000 0.000) 43.106 6.817 ( -8.423 0.000 0.000) 8.423 7.216 ( 15.243 -0.000 0.000) 15.243 7.427 ( -11.825 0.000 0.000) 11.825 8.701 ( -8.385 0.000 0.000) 8.385 9.690 ( 3.087 -0.000 0.000) 3.087 9.765 ( 7.992 -0.000 0.000) 7.992 10.688 ( 8.349 -0.000 0.000) 8.349 11.062 ( -14.112 0.000 0.000) 14.112 12.682 ( -4.786 0.000 0.000) 4.786 14.059 ( -3.958 0.000 0.000) 3.958 15.414 ( -17.711 0.000 0.000) 17.711 17.203 ( -1.940 0.000 0.000) 1.940 17.857 ( -1.252 0.000 0.000) 1.252 19.119 ( -25.297 0.000 0.000) 25.297 20.051 ( -5.721 0.000 0.000) 5.721 20.714 ( -1.914 0.000 0.000) 1.914 21.351 ( 6.748 -0.000 0.000) 6.748 21.355 ( 7.043 -0.000 0.000) 7.043 21.611 ( -2.723 0.000 0.000) 2.723 22.671 ( -6.289 0.000 0.000) 6.289 23.180 ( 4.270 -0.000 0.000) 4.270 24.799 ( 29.100 -0.000 0.000) 29.100 31.018 ( -0.710 0.000 0.000) 0.710 34.077 ( -5.608 0.000 0.000) 5.608 ======================= Grid point 24 (17/186) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 19.082 -28.241 0.000) 34.083 1.959 ( 13.265 -49.325 0.000) 51.078 3.650 ( 7.578 3.956 0.000) 8.548 4.339 ( 35.057 -10.718 0.000) 36.658 5.189 ( 24.896 1.304 0.000) 24.930 6.234 ( 45.397 2.628 0.000) 45.473 6.726 ( -14.695 -0.205 0.000) 14.696 7.360 ( -3.832 -8.507 0.000) 9.331 7.496 ( -2.454 -19.766 0.000) 19.918 8.728 ( 0.831 -3.055 0.000) 3.166 9.335 ( 7.980 27.982 0.000) 29.098 9.868 ( 1.146 4.802 0.000) 4.937 10.963 ( -5.697 -9.037 0.000) 10.682 11.057 ( 1.148 -21.548 0.000) 21.578 12.232 ( -1.580 34.946 0.000) 34.982 14.165 ( -17.118 -9.050 0.000) 19.363 15.249 ( -13.554 -5.847 0.000) 14.761 17.127 ( -2.838 6.051 0.000) 6.683 17.820 ( -2.851 2.920 0.000) 4.081 18.878 ( -18.942 -0.701 0.000) 18.955 20.026 ( -2.955 -2.135 0.000) 3.646 20.965 ( -6.773 -26.623 0.000) 27.471 21.149 ( 6.340 13.699 0.000) 15.095 21.606 ( -2.159 -4.721 0.000) 5.191 21.742 ( 2.733 -16.562 0.000) 16.786 22.596 ( -9.761 -0.643 0.000) 9.782 23.269 ( 6.909 -3.861 0.000) 7.914 25.004 ( 25.366 9.383 0.000) 27.046 31.024 ( -1.370 -1.642 0.000) 2.138 33.778 ( 2.460 24.090 0.000) 24.215 ======================= Grid point 25 (18/186) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 15.509 -39.030 0.000) 41.998 2.991 ( 25.006 -33.651 0.000) 41.925 3.780 ( 4.199 -16.980 0.000) 17.491 4.749 ( 10.891 -8.820 0.000) 14.014 5.334 ( 26.566 12.335 0.000) 29.290 6.490 ( -11.992 8.735 0.000) 14.836 6.540 ( 10.880 1.673 0.000) 11.008 7.576 ( -1.787 -20.875 0.000) 20.951 7.979 ( 9.580 -20.702 0.000) 22.811 8.640 ( 7.192 12.851 0.000) 14.727 9.136 ( 14.233 5.514 0.000) 15.264 9.647 ( -9.153 11.709 0.000) 14.862 11.083 ( 4.378 -5.708 0.000) 7.193 11.511 ( -1.945 -14.322 0.000) 14.454 11.579 ( 2.814 26.318 0.000) 26.468 13.869 ( -35.236 6.666 0.000) 35.861 15.419 ( 0.401 -16.093 0.000) 16.098 16.926 ( -3.509 12.256 0.000) 12.749 17.662 ( -12.044 5.237 0.000) 13.134 18.821 ( -1.707 -5.020 0.000) 5.302 20.062 ( -1.809 -4.401 0.000) 4.758 20.986 ( 6.026 11.386 0.000) 12.882 21.419 ( -7.676 -29.957 0.000) 30.924 21.681 ( -4.101 -7.415 0.000) 8.473 22.021 ( 0.156 -11.938 0.000) 11.939 22.489 ( -12.528 -0.296 0.000) 12.532 23.467 ( 9.237 -8.448 0.000) 12.518 24.987 ( 19.306 16.979 0.000) 25.710 31.039 ( -3.042 -2.254 0.000) 3.787 33.371 ( 7.684 25.992 0.000) 27.104 ======================= Grid point 26 (19/186) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 20.661 -29.560 0.000) 36.065 3.444 ( 31.798 1.538 0.000) 31.835 4.467 ( 5.117 -38.492 0.000) 38.831 4.918 ( -9.803 -13.128 0.000) 16.384 5.337 ( 22.443 12.575 0.000) 25.726 6.100 ( -26.294 10.490 0.000) 28.309 6.469 ( -9.025 5.075 0.000) 10.354 7.798 ( 7.803 22.828 0.000) 24.125 8.171 ( 0.897 -25.616 0.000) 25.632 8.870 ( 16.005 2.794 0.000) 16.247 9.067 ( -6.846 5.167 0.000) 8.577 9.616 ( 14.646 -17.647 0.000) 22.933 10.893 ( 11.065 35.842 0.000) 37.511 11.278 ( 2.674 -1.906 0.000) 3.284 11.868 ( -2.251 -14.165 0.000) 14.342 13.394 ( -36.675 1.271 0.000) 36.697 15.710 ( 3.378 -12.472 0.000) 12.921 16.626 ( -3.394 16.612 0.000) 16.955 17.463 ( -14.460 -0.538 0.000) 14.470 18.984 ( 10.574 -6.614 0.000) 12.472 20.141 ( -1.312 -5.875 0.000) 6.019 20.860 ( 6.623 9.698 0.000) 11.743 21.741 ( -5.717 -8.475 0.000) 10.223 21.867 ( -7.824 -21.348 0.000) 22.737 22.182 ( -0.852 -6.588 0.000) 6.643 22.383 ( -11.544 -4.393 0.000) 12.352 23.729 ( 10.253 -7.820 0.000) 12.895 24.839 ( 13.754 16.103 0.000) 21.177 31.037 ( -5.345 -2.158 0.000) 5.764 32.992 ( 7.023 24.622 0.000) 25.604 ======================= Grid point 27 (20/186) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.469 ( 37.340 24.197 0.000) 44.494 4.176 ( 14.929 -15.712 0.000) 21.673 4.709 ( 0.022 -5.795 0.000) 5.795 5.095 ( 6.429 3.063 0.000) 7.121 5.321 ( -28.322 6.243 0.000) 29.002 5.955 ( -12.515 -38.790 0.000) 40.759 6.282 ( -6.453 5.267 0.000) 8.330 7.329 ( 8.079 31.691 0.000) 32.705 8.399 ( -15.170 17.386 0.000) 23.074 8.845 ( 0.232 -26.778 0.000) 26.779 8.953 ( 1.876 13.354 0.000) 13.485 10.277 ( 17.656 -4.515 0.000) 18.225 10.518 ( 23.814 4.879 0.000) 24.309 11.286 ( 4.888 4.063 0.000) 6.356 11.967 ( -8.025 -2.727 0.000) 8.476 13.150 ( -27.227 -11.328 0.000) 29.490 15.944 ( 2.119 -11.318 0.000) 11.515 16.272 ( -2.968 18.378 0.000) 18.616 17.418 ( -9.000 -7.368 0.000) 11.631 19.240 ( 14.071 -6.771 0.000) 15.615 20.242 ( -1.018 -6.477 0.000) 6.556 20.774 ( 8.101 8.035 0.000) 11.410 21.749 ( -14.816 -3.517 0.000) 15.227 22.027 ( -3.538 -5.270 0.000) 6.348 22.232 ( -0.163 -0.198 0.000) 0.256 22.539 ( -5.149 -19.759 0.000) 20.419 23.871 ( 7.828 4.811 0.000) 9.188 24.792 ( 11.766 0.913 0.000) 11.801 31.005 ( -7.435 -1.589 0.000) 7.603 32.613 ( 3.642 23.560 0.000) 23.840 ======================= Grid point 28 (21/186) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 23.804 35.708 0.000) 42.915 3.975 ( -1.426 28.930 0.000) 28.965 4.725 ( -16.001 13.257 0.000) 20.779 4.816 ( -0.550 18.692 0.000) 18.700 5.499 ( -0.791 -43.641 0.000) 43.648 6.144 ( -1.977 5.892 0.000) 6.214 6.603 ( -7.084 -27.893 0.000) 28.778 6.912 ( 10.215 21.947 0.000) 24.208 7.952 ( -15.037 5.776 0.000) 16.108 8.454 ( -0.359 31.581 0.000) 31.583 9.505 ( 1.160 -34.918 0.000) 34.937 10.017 ( 2.316 24.094 0.000) 24.205 10.853 ( 19.511 9.384 0.000) 21.651 11.458 ( 15.402 -11.560 0.000) 19.257 11.848 ( -15.454 -0.004 0.000) 15.454 13.238 ( -12.800 -21.289 0.000) 24.841 15.912 ( -1.943 17.984 0.000) 18.089 16.201 ( 0.808 -15.570 0.000) 15.591 17.507 ( -3.345 -8.435 0.000) 9.074 19.487 ( 9.675 -6.063 0.000) 11.417 20.350 ( -0.541 -6.267 0.000) 6.290 20.739 ( 8.589 5.553 0.000) 10.228 21.590 ( -14.771 2.115 0.000) 14.921 22.099 ( -0.292 -5.076 0.000) 5.084 22.202 ( 0.028 3.468 0.000) 3.468 22.843 ( -1.375 -15.767 0.000) 15.827 23.735 ( 2.539 13.468 0.000) 13.705 25.036 ( 11.071 -12.115 0.000) 16.412 30.946 ( -7.397 -0.629 0.000) 7.424 32.216 ( 0.262 22.232 0.000) 22.234 ======================= Grid point 29 (22/186) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 0.000 40.667 0.000) 40.667 3.341 ( 0.000 38.673 0.000) 38.673 4.314 ( 0.000 32.088 0.000) 32.088 4.483 ( 0.000 7.262 0.000) 7.262 5.967 ( 0.000 12.977 0.000) 12.977 6.204 ( -0.000 -22.977 0.000) 22.977 6.500 ( 0.000 25.799 0.000) 25.799 6.922 ( -0.000 -20.945 0.000) 20.945 7.901 ( 0.000 25.871 0.000) 25.871 8.119 ( -0.000 -26.173 0.000) 26.173 9.497 ( 0.000 34.077 0.000) 34.077 10.121 ( -0.000 -32.427 0.000) 32.427 10.777 ( 0.000 6.997 0.000) 6.997 11.569 ( 0.000 7.372 0.000) 7.372 11.807 ( -0.000 -1.339 0.000) 1.339 13.646 ( -0.000 -29.062 0.000) 29.062 15.594 ( 0.000 15.414 0.000) 15.414 16.517 ( -0.000 -18.204 0.000) 18.204 17.630 ( -0.000 -6.686 0.000) 6.686 19.630 ( -0.000 -3.939 0.000) 3.939 20.456 ( -0.000 -5.686 0.000) 5.686 20.718 ( 0.000 3.082 0.000) 3.082 21.443 ( 0.000 4.091 0.000) 4.091 22.107 ( 0.000 6.751 0.000) 6.751 22.200 ( -0.000 -6.147 0.000) 6.147 23.050 ( -0.000 -7.344 0.000) 7.344 23.509 ( 0.000 11.690 0.000) 11.690 25.359 ( -0.000 -14.416 0.000) 14.416 30.901 ( -0.000 -0.037 0.000) 0.037 31.833 ( 0.000 19.469 0.000) 19.469 ======================= Grid point 34 (23/186) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 3.013 -0.000 0.000) 3.013 1.620 ( 18.267 -0.000 0.000) 18.267 3.860 ( 20.049 -0.000 0.000) 20.049 4.491 ( 16.041 -0.000 0.000) 16.041 5.611 ( 44.333 -0.000 0.000) 44.333 6.574 ( -12.338 0.000 0.000) 12.338 6.799 ( 44.969 -0.000 0.000) 44.969 7.169 ( -19.776 0.000 0.000) 19.776 7.212 ( -0.658 0.000 0.000) 0.658 8.794 ( 14.799 -0.000 0.000) 14.799 9.732 ( -0.186 0.000 0.000) 0.186 9.915 ( 6.742 -0.000 0.000) 6.742 10.774 ( -11.464 0.000 0.000) 11.464 10.858 ( 7.688 -0.000 0.000) 7.688 12.505 ( -13.713 0.000 0.000) 13.713 13.962 ( -5.187 0.000 0.000) 5.187 14.942 ( -26.499 0.000 0.000) 26.499 17.157 ( -2.428 0.000 0.000) 2.428 17.859 ( 1.468 -0.000 0.000) 1.468 18.667 ( -16.908 0.000 0.000) 16.908 19.983 ( -1.810 0.000 0.000) 1.810 20.681 ( -1.247 0.000 0.000) 1.247 21.456 ( 3.611 -0.000 0.000) 3.611 21.505 ( 7.489 -0.000 0.000) 7.489 21.565 ( -1.716 0.000 0.000) 1.716 22.488 ( -10.747 0.000 0.000) 10.747 23.299 ( 6.437 -0.000 0.000) 6.437 25.365 ( 24.517 -0.000 0.000) 24.517 31.001 ( -0.878 0.000 0.000) 0.878 33.954 ( -5.934 0.000 0.000) 5.934 ======================= Grid point 35 (24/186) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 12.298 -28.954 0.000) 31.457 2.105 ( 4.015 -54.290 0.000) 54.438 4.040 ( 28.447 7.113 0.000) 29.323 4.665 ( 4.898 -5.842 0.000) 7.624 5.926 ( 34.318 12.674 0.000) 36.583 6.456 ( -8.738 1.636 0.000) 8.890 6.725 ( -13.462 13.415 0.000) 19.005 7.131 ( -9.271 -17.227 0.000) 19.564 7.791 ( 40.127 -23.475 0.000) 46.489 8.906 ( 10.608 6.555 0.000) 12.470 9.512 ( 7.923 16.086 0.000) 17.931 9.803 ( -6.768 15.205 0.000) 16.643 10.886 ( 2.081 -15.413 0.000) 15.553 11.138 ( 4.271 -19.776 0.000) 20.232 12.117 ( -10.769 22.417 0.000) 24.870 13.691 ( -26.631 15.508 0.000) 30.818 14.988 ( -10.551 -25.597 0.000) 27.687 17.070 ( -2.525 6.820 0.000) 7.272 17.739 ( -4.394 12.206 0.000) 12.973 18.645 ( -4.492 -10.685 0.000) 11.591 19.988 ( -1.118 -2.163 0.000) 2.435 20.867 ( -3.101 -20.514 0.000) 20.747 21.278 ( 5.968 13.250 0.000) 14.533 21.562 ( -2.050 -2.785 0.000) 3.458 21.810 ( 3.583 -13.645 0.000) 14.108 22.370 ( -11.449 0.381 0.000) 11.456 23.414 ( 6.458 -5.636 0.000) 8.572 25.475 ( 19.016 12.554 0.000) 22.786 30.996 ( -1.314 -0.420 0.000) 1.379 33.764 ( -2.289 13.988 0.000) 14.174 ======================= Grid point 36 (25/186) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 10.060 -39.893 0.000) 41.142 3.290 ( 5.981 -64.923 0.000) 65.198 4.211 ( 33.408 8.527 0.000) 34.479 4.756 ( -3.154 -2.535 0.000) 4.047 5.864 ( 12.518 19.741 0.000) 23.375 6.094 ( -26.518 17.520 0.000) 31.783 6.503 ( 0.438 4.287 0.000) 4.309 7.520 ( -3.257 -31.492 0.000) 31.660 8.354 ( 15.992 14.403 0.000) 21.521 8.957 ( 18.895 -13.545 0.000) 23.249 9.303 ( 0.425 25.135 0.000) 25.139 9.537 ( 4.591 -3.933 0.000) 6.046 11.153 ( -4.403 -6.739 0.000) 8.049 11.547 ( 11.819 -10.226 0.000) 15.629 11.652 ( 4.383 14.879 0.000) 15.511 13.050 ( -41.616 11.167 0.000) 43.088 15.414 ( -0.647 -23.607 0.000) 23.616 16.866 ( -2.131 12.780 0.000) 12.956 17.429 ( -8.644 11.208 0.000) 14.154 18.886 ( 4.939 -13.323 0.000) 14.209 20.037 ( -0.743 -4.293 0.000) 4.357 21.117 ( 6.375 10.588 0.000) 12.359 21.293 ( -4.195 -28.168 0.000) 28.478 21.594 ( -4.371 -3.753 0.000) 5.761 22.044 ( 1.665 -9.125 0.000) 9.276 22.251 ( -9.664 -0.039 0.000) 9.664 23.633 ( 6.145 -10.834 0.000) 12.455 25.327 ( 12.279 20.436 0.000) 23.841 30.982 ( -2.193 -0.018 0.000) 2.193 33.447 ( 1.151 19.971 0.000) 20.004 ======================= Grid point 37 (26/186) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 7.928 -46.486 0.000) 47.158 4.261 ( 39.623 3.779 0.000) 39.803 4.617 ( 9.995 -34.077 0.000) 35.512 4.694 ( -9.461 -8.654 0.000) 12.822 5.299 ( -36.927 21.266 0.000) 42.613 5.670 ( -2.095 16.237 0.000) 16.372 6.413 ( 4.024 8.928 0.000) 9.793 7.951 ( 5.924 27.709 0.000) 28.335 8.157 ( -1.274 -35.720 0.000) 35.742 8.698 ( -11.810 25.884 0.000) 28.451 9.265 ( 7.557 8.897 0.000) 11.674 10.096 ( 24.381 -34.750 0.000) 42.450 10.884 ( -10.182 18.289 0.000) 20.932 11.491 ( 11.429 14.655 0.000) 18.585 11.909 ( 10.357 -4.856 0.000) 11.439 12.618 ( -34.109 -12.072 0.000) 36.183 15.755 ( 1.078 -13.483 0.000) 13.526 16.575 ( -1.311 17.025 0.000) 17.076 17.250 ( -5.467 -0.718 0.000) 5.514 19.176 ( 5.756 -11.686 0.000) 13.027 20.123 ( -0.439 -5.723 0.000) 5.740 21.002 ( 5.719 8.908 0.000) 10.586 21.587 ( -6.971 -1.783 0.000) 7.195 21.751 ( -2.642 -23.250 0.000) 23.400 22.182 ( 0.466 -6.077 0.000) 6.095 22.220 ( -4.222 -5.918 0.000) 7.269 23.891 ( 4.445 -9.577 0.000) 10.559 25.052 ( 5.744 17.626 0.000) 18.538 30.952 ( -2.390 0.666 0.000) 2.481 33.071 ( 1.473 23.102 0.000) 23.149 ======================= Grid point 38 (27/186) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.151 ( 0.000 39.946 0.000) 39.946 4.405 ( 0.000 17.947 0.000) 17.947 4.586 ( -0.000 -50.565 0.000) 50.565 4.675 ( 0.000 4.922 0.000) 4.922 5.292 ( 0.000 21.923 0.000) 21.923 5.751 ( -0.000 -54.495 0.000) 54.495 6.274 ( 0.000 8.035 0.000) 8.035 7.463 ( 0.000 28.177 0.000) 28.177 8.151 ( 0.000 23.693 0.000) 23.693 8.850 ( -0.000 -37.832 0.000) 37.832 8.989 ( 0.000 24.432 0.000) 24.432 10.433 ( 0.000 21.762 0.000) 21.762 10.977 ( -0.000 -39.143 0.000) 39.143 11.230 ( 0.000 16.264 0.000) 16.264 11.900 ( 0.000 7.850 0.000) 7.850 12.790 ( -0.000 -20.343 0.000) 20.343 15.966 ( -0.000 -11.088 0.000) 11.088 16.240 ( 0.000 18.828 0.000) 18.828 17.324 ( -0.000 -8.804 0.000) 8.804 19.399 ( -0.000 -9.037 0.000) 9.037 20.231 ( -0.000 -6.374 0.000) 6.374 20.896 ( 0.000 6.775 0.000) 6.775 21.543 ( 0.000 1.118 0.000) 1.118 21.995 ( -0.000 -7.121 0.000) 7.121 22.233 ( -0.000 -0.216 0.000) 0.216 22.481 ( -0.000 -21.284 0.000) 21.284 23.961 ( 0.000 6.303 0.000) 6.303 24.924 ( -0.000 -2.029 0.000) 2.029 30.920 ( 0.000 0.954 0.000) 0.954 32.647 ( 0.000 24.252 0.000) 24.252 ======================= Grid point 45 (28/186) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 1.019 -0.000 0.000) 1.019 1.913 ( 9.807 -0.000 0.000) 9.807 4.405 ( 28.649 -0.000 0.000) 28.649 4.665 ( 4.491 -0.000 0.000) 4.491 6.359 ( -7.858 0.000 0.000) 7.858 6.410 ( 29.221 -0.000 0.000) 29.221 6.616 ( -28.924 0.000 0.000) 28.924 6.871 ( -8.280 0.000 0.000) 8.280 8.056 ( 48.700 -0.000 0.000) 48.700 9.098 ( 11.599 -0.000 0.000) 11.599 9.609 ( -12.473 0.000 0.000) 12.473 10.037 ( 4.703 -0.000 0.000) 4.703 10.743 ( 11.816 -0.000 0.000) 11.816 10.987 ( 4.486 -0.000 0.000) 4.486 12.060 ( -30.031 0.000 0.000) 30.031 13.865 ( -3.739 0.000 0.000) 3.739 14.443 ( -18.792 0.000 0.000) 18.792 17.110 ( -1.885 0.000 0.000) 1.885 17.904 ( 2.306 -0.000 0.000) 2.306 18.431 ( -6.655 0.000 0.000) 6.655 19.960 ( -0.665 0.000 0.000) 0.665 20.663 ( -0.592 0.000 0.000) 0.592 21.503 ( 0.938 -0.000 0.000) 0.938 21.545 ( -0.115 0.000 0.000) 0.115 21.660 ( 7.313 -0.000 0.000) 7.313 22.260 ( -10.426 0.000 0.000) 10.426 23.415 ( 4.326 -0.000 0.000) 4.326 25.767 ( 13.771 -0.000 0.000) 13.771 30.984 ( -0.629 0.000 0.000) 0.629 33.849 ( -3.852 0.000 0.000) 3.852 ======================= Grid point 46 (29/186) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 1.232 -57.686 0.000) 57.700 2.237 ( 4.716 -27.206 0.000) 27.611 4.637 ( 21.616 3.014 0.000) 21.825 4.720 ( 2.979 -1.346 0.000) 3.269 6.163 ( -21.666 17.575 0.000) 27.898 6.205 ( -1.468 10.718 0.000) 10.818 6.634 ( 11.611 1.874 0.000) 11.761 6.993 ( -3.911 -20.300 0.000) 20.674 8.635 ( 31.565 -12.219 0.000) 33.848 9.021 ( -1.922 13.365 0.000) 13.503 9.477 ( -8.039 -0.241 0.000) 8.043 9.811 ( 6.027 22.354 0.000) 23.152 11.028 ( 7.261 -6.221 0.000) 9.561 11.269 ( 12.627 -22.634 0.000) 25.918 11.741 ( -24.797 -1.944 0.000) 24.874 13.243 ( -12.591 40.238 0.000) 42.162 14.841 ( -3.608 -35.845 0.000) 36.026 17.031 ( -1.046 6.962 0.000) 7.040 17.672 ( -1.752 19.442 0.000) 19.521 18.618 ( 0.173 -18.104 0.000) 18.104 19.973 ( -0.321 -2.127 0.000) 2.152 20.827 ( -0.893 -17.906 0.000) 17.928 21.381 ( 3.425 11.488 0.000) 11.988 21.524 ( -1.496 -1.076 0.000) 1.843 21.885 ( 3.284 -11.139 0.000) 11.613 22.164 ( -7.086 0.200 0.000) 7.088 23.511 ( 2.538 -6.667 0.000) 7.134 25.748 ( 6.935 13.425 0.000) 15.110 30.975 ( -0.552 0.436 0.000) 0.704 33.722 ( -1.317 10.505 0.000) 10.588 ======================= Grid point 47 (30/186) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -0.000 -40.956 0.000) 40.956 3.345 ( -0.000 -69.643 0.000) 69.643 4.690 ( 0.000 1.947 0.000) 1.947 4.787 ( 0.000 0.677 0.000) 0.677 5.558 ( 0.000 31.537 0.000) 31.537 5.972 ( 0.000 15.169 0.000) 15.169 6.603 ( 0.000 7.543 0.000) 7.543 7.480 ( -0.000 -33.973 0.000) 33.973 8.512 ( 0.000 28.171 0.000) 28.171 9.032 ( 0.000 9.068 0.000) 9.068 9.419 ( 0.000 3.033 0.000) 3.033 9.676 ( -0.000 -14.822 0.000) 14.822 11.030 ( 0.000 6.437 0.000) 6.437 11.658 ( -0.000 -5.421 0.000) 5.421 11.918 ( -0.000 -27.901 0.000) 27.901 12.416 ( 0.000 36.916 0.000) 36.916 15.405 ( -0.000 -26.372 0.000) 26.372 16.843 ( 0.000 12.949 0.000) 12.949 17.339 ( 0.000 13.505 0.000) 13.505 18.946 ( -0.000 -16.408 0.000) 16.408 20.030 ( -0.000 -4.229 0.000) 4.229 21.205 ( 0.000 10.212 0.000) 10.212 21.246 ( -0.000 -27.506 0.000) 27.506 21.533 ( -0.000 -1.127 0.000) 1.127 22.081 ( -0.000 -8.209 0.000) 8.209 22.127 ( -0.000 -0.856 0.000) 0.856 23.699 ( -0.000 -11.924 0.000) 11.924 25.457 ( 0.000 21.242 0.000) 21.242 30.958 ( 0.000 0.964 0.000) 0.964 33.455 ( 0.000 18.152 0.000) 18.152 ======================= Grid point 58 (31/186) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.000 -0.000 0.000) 0.000 2.015 ( 0.000 -0.000 0.000) 0.000 4.712 ( 0.000 -0.000 0.000) 0.000 4.786 ( -0.000 0.000 0.000) 0.000 6.226 ( 0.000 -0.000 0.000) 0.000 6.282 ( -0.000 0.000 0.000) 0.000 6.725 ( 0.000 -0.000 0.000) 0.000 6.776 ( 0.000 -0.000 0.000) 0.000 8.667 ( 0.000 -0.000 0.000) 0.000 9.220 ( 0.000 -0.000 0.000) 0.000 9.376 ( 0.000 -0.000 0.000) 0.000 10.089 ( 0.000 -0.000 0.000) 0.000 11.034 ( 0.000 -0.000 0.000) 0.000 11.139 ( 0.000 -0.000 0.000) 0.000 11.467 ( 0.000 -0.000 0.000) 0.000 13.824 ( 0.000 -0.000 0.000) 0.000 14.245 ( 0.000 -0.000 0.000) 0.000 17.089 ( 0.000 -0.000 0.000) 0.000 17.931 ( 0.000 -0.000 0.000) 0.000 18.367 ( 0.000 -0.000 0.000) 0.000 19.953 ( 0.000 -0.000 0.000) 0.000 20.657 ( 0.000 -0.000 0.000) 0.000 21.508 ( 0.000 -0.000 0.000) 0.000 21.548 ( 0.000 -0.000 0.000) 0.000 21.759 ( 0.000 -0.000 0.000) 0.000 22.127 ( 0.000 -0.000 0.000) 0.000 23.462 ( 0.000 -0.000 0.000) 0.000 25.911 ( 0.000 -0.000 0.000) 0.000 30.978 ( 0.000 -0.000 0.000) 0.000 33.808 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/186) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.000 0.000 30.037) 30.037 0.975 ( 0.000 0.000 47.027) 47.027 1.607 ( 0.000 0.000 75.261) 75.261 4.646 ( 0.000 0.000 4.337) 4.337 4.822 ( 0.000 0.000 -2.489) 2.489 5.187 ( 0.000 0.000 11.819) 11.819 5.830 ( 0.000 0.000 -16.272) 16.272 7.138 ( 0.000 0.000 -6.655) 6.655 8.744 ( 0.000 0.000 -0.439) 0.439 9.127 ( 0.000 0.000 -33.411) 33.411 9.394 ( 0.000 0.000 7.421) 7.421 9.449 ( 0.000 0.000 5.865) 5.865 10.090 ( 0.000 0.000 -30.200) 30.200 11.696 ( 0.000 0.000 -1.821) 1.821 11.932 ( 0.000 0.000 11.347) 11.347 14.499 ( 0.000 0.000 31.644) 31.644 15.816 ( 0.000 0.000 10.392) 10.392 16.527 ( 0.000 0.000 -50.271) 50.271 18.459 ( 0.000 0.000 32.223) 32.223 20.275 ( 0.000 0.000 -3.800) 3.800 20.687 ( 0.000 0.000 -0.508) 0.508 20.785 ( 0.000 0.000 0.367) 0.367 21.121 ( 0.000 0.000 0.009) 0.009 21.124 ( 0.000 0.000 -3.726) 3.726 22.733 ( 0.000 0.000 -0.208) 0.208 22.747 ( 0.000 0.000 -1.312) 1.312 23.246 ( 0.000 0.000 9.446) 9.446 26.024 ( 0.000 0.000 -4.697) 4.697 31.013 ( 0.000 0.000 -0.398) 0.398 31.028 ( 0.000 0.000 -0.408) 0.408 ======================= Grid point 106 (33/186) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 41.500 -16.308 18.293) 48.196 1.354 ( 13.175 -20.352 42.068) 48.555 2.155 ( 21.373 -47.197 45.822) 69.167 4.449 ( -11.448 2.265 -0.876) 11.703 4.971 ( -1.209 -9.895 -0.289) 9.973 5.293 ( -8.446 -12.612 13.914) 20.591 6.079 ( 33.131 -7.842 -12.921) 36.416 7.177 ( -3.981 -5.133 -9.961) 11.892 8.153 ( -12.802 10.322 16.326) 23.173 8.746 ( 3.554 33.614 -31.140) 45.959 9.387 ( -6.808 4.956 10.692) 13.610 10.010 ( -15.695 -31.403 -9.440) 36.354 10.395 ( 3.205 -25.215 -36.610) 44.569 11.466 ( -15.205 2.780 5.377) 16.366 11.988 ( 25.604 24.212 6.876) 35.904 14.579 ( 3.234 -6.417 26.650) 27.602 15.715 ( -1.948 8.871 11.506) 14.659 16.491 ( 1.127 4.764 -50.194) 50.432 18.433 ( -3.003 1.496 31.676) 31.853 19.929 ( -16.211 11.409 10.451) 22.409 20.557 ( -9.913 5.095 7.083) 13.205 20.786 ( 10.621 3.435 -1.815) 11.309 21.181 ( 3.642 -5.610 -3.202) 7.415 21.457 ( -1.585 -17.810 -13.933) 22.668 22.546 ( -9.181 4.528 3.348) 10.771 22.861 ( -6.897 -10.172 2.294) 12.502 23.259 ( 0.366 -1.753 8.812) 8.993 25.382 ( -77.827 -11.528 20.617) 81.333 31.049 ( 1.369 -1.895 -0.795) 2.469 31.625 ( 89.080 20.489 -25.934) 95.014 ======================= Grid point 107 (34/186) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 27.092 -20.444 11.636) 35.880 2.024 ( 20.569 -30.210 19.477) 41.413 3.263 ( 25.786 -41.552 23.140) 54.101 4.429 ( -7.658 -11.458 -1.027) 13.820 5.153 ( 1.040 -11.295 -1.067) 11.393 5.492 ( -1.165 -16.119 13.025) 20.756 6.608 ( 28.794 -7.303 -11.817) 31.969 7.231 ( -2.872 -7.803 -4.950) 9.676 8.061 ( -1.366 14.959 -16.496) 22.310 8.273 ( 1.527 -0.214 -7.655) 7.809 9.150 ( -4.534 13.341 11.863) 18.420 10.203 ( -20.696 -14.090 1.695) 25.094 10.874 ( 2.015 -20.700 -36.708) 42.191 11.292 ( -5.406 7.698 -1.291) 9.494 11.670 ( 7.572 21.850 13.930) 26.997 14.631 ( 0.813 8.670 13.273) 15.874 15.573 ( 1.287 1.974 16.668) 16.834 16.384 ( 3.118 9.215 -46.907) 47.905 18.349 ( -4.347 3.206 31.736) 32.192 19.619 ( -20.834 4.036 6.125) 22.088 20.408 ( -10.126 -0.289 8.202) 13.034 20.763 ( 4.406 6.452 -1.290) 7.919 21.401 ( 9.433 -9.807 -3.789) 14.125 21.685 ( -0.900 -10.488 -10.455) 14.836 22.426 ( -3.854 1.796 3.223) 5.335 22.954 ( -8.118 -7.483 2.467) 11.313 23.336 ( 2.317 -5.752 7.495) 9.728 24.989 ( -43.298 -9.294 9.501) 45.292 31.115 ( 1.104 -3.725 -0.844) 3.976 31.948 ( 55.305 21.617 -14.983) 61.240 ======================= Grid point 108 (35/186) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 18.802 -9.551 8.010) 22.559 2.810 ( 14.594 -35.962 6.313) 39.320 4.026 ( 14.489 -17.194 3.943) 22.827 4.681 ( -3.547 -21.954 0.025) 22.239 5.477 ( 4.620 -19.029 4.715) 20.141 5.835 ( 12.585 -15.740 9.294) 22.192 6.672 ( -3.530 11.240 -16.290) 20.104 7.470 ( 7.707 1.056 -7.677) 10.929 7.757 ( 19.152 4.073 -1.948) 19.677 8.600 ( -5.625 -14.587 -4.520) 16.274 8.934 ( 4.922 -1.543 6.552) 8.339 10.154 ( -24.196 -7.185 7.274) 26.267 10.801 ( -1.180 28.665 5.879) 29.285 11.180 ( -2.692 -0.802 -20.117) 20.312 11.650 ( 3.240 -11.788 -8.611) 14.953 14.275 ( -5.481 23.354 2.339) 24.103 15.679 ( 4.533 -7.017 16.075) 18.116 16.231 ( 5.007 11.866 -39.417) 41.467 18.239 ( -4.569 3.625 30.141) 30.700 19.332 ( -22.385 2.332 6.548) 23.439 20.361 ( -6.318 -3.597 7.477) 10.428 20.676 ( 2.702 6.715 0.149) 7.240 21.682 ( 8.757 -9.830 -6.226) 14.562 21.847 ( 0.229 -8.092 -8.912) 12.040 22.388 ( 2.546 1.806 4.348) 5.353 22.945 ( -10.650 -2.493 2.547) 11.231 23.508 ( 5.208 -8.191 6.314) 11.579 24.743 ( -25.897 -2.134 4.192) 26.321 31.196 ( 0.659 -3.999 -0.873) 4.145 32.067 ( 32.864 14.392 -8.800) 36.941 ======================= Grid point 109 (36/186) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 7.874 -3.315 7.107) 11.113 3.571 ( 12.857 -30.200 -1.377) 32.852 4.239 ( 1.406 -2.337 -1.923) 3.337 5.042 ( -1.625 -12.556 -8.346) 15.164 5.734 ( -1.989 -9.839 5.414) 11.405 6.268 ( 8.655 -3.469 -3.891) 10.104 6.452 ( 9.621 -1.431 -6.133) 11.499 7.279 ( -2.763 13.922 6.008) 15.412 8.208 ( 13.628 -19.493 3.734) 24.076 8.538 ( 10.634 7.868 0.003) 13.229 9.343 ( -2.321 -23.629 -4.819) 24.226 9.983 ( -17.689 5.575 4.396) 19.060 10.282 ( -1.940 16.333 17.059) 23.697 11.074 ( -5.410 7.366 -13.104) 15.976 11.922 ( 3.037 -10.947 -17.014) 20.458 13.830 ( -4.010 17.198 -5.697) 18.555 15.836 ( 0.420 -6.725 4.447) 8.074 16.075 ( 5.942 11.103 -26.208) 29.077 18.136 ( -3.696 2.530 27.467) 27.830 19.111 ( -13.802 0.787 10.901) 17.606 20.392 ( -3.657 -4.914 5.656) 8.337 20.584 ( 2.228 6.088 1.689) 6.700 21.898 ( 2.176 -7.235 -9.239) 11.935 21.973 ( 2.427 -3.519 -10.045) 10.917 22.423 ( 8.521 0.338 7.811) 11.564 22.842 ( -11.978 0.402 2.608) 12.265 23.707 ( 6.190 -6.273 6.007) 10.666 24.533 ( -14.904 1.521 2.408) 15.174 31.262 ( 0.213 -2.589 -0.864) 2.737 32.120 ( 15.770 7.145 -6.415) 18.464 ======================= Grid point 110 (37/186) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 0.000 0.000 6.814) 6.814 3.980 ( -0.000 0.000 -4.830) 4.830 4.262 ( -0.000 0.000 -1.646) 1.646 5.043 ( 0.000 -0.000 -11.177) 11.177 5.883 ( -0.000 -0.000 -1.299) 1.299 6.192 ( 0.000 0.000 -13.820) 13.820 6.775 ( -0.000 0.000 7.430) 7.430 6.997 ( 0.000 -0.000 12.863) 12.863 8.446 ( 0.000 -0.000 2.102) 2.102 8.644 ( 0.000 -0.000 -0.361) 0.361 9.560 ( -0.000 -0.000 5.667) 5.667 9.655 ( 0.000 0.000 -2.172) 2.172 10.265 ( 0.000 0.000 16.049) 16.049 10.917 ( -0.000 -0.000 -12.040) 12.040 12.044 ( 0.000 -0.000 -15.918) 15.918 13.646 ( 0.000 -0.000 -10.467) 10.467 15.921 ( -0.000 -0.000 -15.306) 15.306 15.979 ( 0.000 0.000 -6.305) 6.305 18.091 ( 0.000 -0.000 26.339) 26.339 19.032 ( 0.000 0.000 13.195) 13.195 20.433 ( -0.000 -0.000 4.351) 4.351 20.525 ( 0.000 0.000 2.816) 2.816 21.985 ( 0.000 0.000 -11.915) 11.915 22.006 ( -0.000 -0.000 -8.959) 8.959 22.498 ( 0.000 -0.000 9.462) 9.462 22.746 ( -0.000 -0.000 2.203) 2.203 23.810 ( 0.000 -0.000 6.189) 6.189 24.428 ( 0.000 -0.000 1.800) 1.800 31.288 ( 0.000 -0.000 -0.853) 0.853 32.136 ( 0.000 -0.000 -5.795) 5.795 ======================= Grid point 117 (38/186) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 19.761 -0.000 38.534) 43.306 1.492 ( 21.583 -0.000 49.093) 53.628 2.205 ( 73.900 -0.000 30.080) 79.787 4.180 ( -30.332 0.000 0.314) 30.334 4.946 ( 4.582 -0.000 1.307) 4.765 5.224 ( 14.803 -0.000 13.271) 19.881 6.335 ( 32.275 -0.000 -13.206) 34.872 7.094 ( -1.706 0.000 -4.428) 4.745 8.096 ( -33.449 0.000 22.760) 40.458 9.106 ( -17.560 0.000 9.664) 20.044 9.205 ( 3.894 -0.000 -35.596) 35.808 9.634 ( 8.381 -0.000 -0.070) 8.381 10.166 ( 6.655 -0.000 -27.431) 28.227 11.331 ( -13.815 0.000 2.372) 14.017 12.569 ( 21.510 -0.000 -6.570) 22.490 14.472 ( -2.604 0.000 30.453) 30.564 15.763 ( -5.655 0.000 10.801) 12.192 16.548 ( 2.111 -0.000 -47.905) 47.951 18.397 ( -5.662 0.000 29.755) 30.289 19.778 ( -32.080 0.000 2.790) 32.201 20.762 ( -1.799 0.000 0.599) 1.896 20.781 ( -12.652 0.000 18.354) 22.292 21.086 ( 7.193 -0.000 -4.490) 8.479 21.188 ( 5.616 -0.000 -3.380) 6.555 22.222 ( -34.628 0.000 35.151) 49.343 22.738 ( -0.060 0.000 0.399) 0.403 23.242 ( 0.063 -0.000 9.556) 9.556 24.622 ( -21.519 0.000 29.552) 36.557 31.027 ( -0.104 0.000 -0.130) 0.166 32.917 ( 68.574 -0.000 -72.331) 99.671 ======================= Grid point 118 (39/186) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 18.360 -19.360 33.731) 43.008 1.966 ( 26.529 -23.181 31.682) 47.381 3.121 ( 60.268 -15.295 18.029) 64.740 4.022 ( -17.868 -12.147 -0.950) 21.627 5.043 ( 1.358 -7.256 4.242) 8.514 5.475 ( 29.584 -1.410 9.070) 30.976 6.684 ( 10.325 -7.841 -15.994) 20.589 7.161 ( 12.726 -3.903 0.001) 13.311 7.818 ( -16.066 -5.322 10.786) 20.069 8.851 ( 4.821 30.665 -29.449) 42.788 9.059 ( -19.201 -7.726 8.477) 22.366 9.866 ( 0.983 -8.527 3.511) 9.273 10.481 ( 4.930 -22.799 -36.450) 43.275 11.208 ( -12.047 -1.930 -0.942) 12.237 12.341 ( 8.577 33.548 9.478) 35.900 14.592 ( -4.399 -9.670 19.426) 22.141 15.629 ( -6.475 4.766 13.666) 15.855 16.538 ( 3.368 4.195 -44.651) 44.974 18.322 ( -7.473 0.970 27.341) 28.360 19.423 ( -28.569 2.438 3.346) 28.867 20.381 ( -7.598 8.012 16.738) 20.052 20.967 ( 7.404 7.922 -2.504) 11.129 21.162 ( -7.199 -19.389 -0.986) 20.706 21.483 ( 5.118 -13.581 -9.303) 17.239 22.106 ( -22.737 -16.201 23.076) 36.221 22.759 ( -3.411 -3.587 2.284) 5.451 23.270 ( 1.740 -2.568 9.340) 9.842 24.625 ( 2.878 -2.333 8.355) 9.140 31.048 ( -0.518 -2.486 0.045) 2.539 33.058 ( 40.479 32.383 -38.323) 64.466 ======================= Grid point 119 (40/186) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 18.828 -30.260 16.965) 39.472 2.604 ( 29.941 -10.572 15.980) 35.547 3.842 ( 10.422 -26.478 3.513) 28.671 4.291 ( 18.520 -13.228 7.847) 24.073 5.199 ( -2.742 -10.521 5.269) 12.082 5.896 ( 35.604 -6.762 5.850) 36.709 6.694 ( -11.012 2.231 -12.588) 16.873 7.490 ( 16.652 -9.751 -0.427) 19.302 7.975 ( -3.589 -16.009 -1.506) 16.475 8.385 ( 5.810 19.604 -18.516) 27.585 8.989 ( -6.450 -1.142 6.722) 9.385 9.885 ( -10.256 0.314 6.439) 12.114 10.889 ( -0.453 -13.402 -29.357) 32.275 11.202 ( -2.318 -7.116 -12.846) 14.867 11.777 ( 2.774 30.083 16.554) 34.449 14.477 ( -16.913 10.852 5.700) 20.888 15.606 ( 1.352 -5.444 17.908) 18.766 16.464 ( 4.106 8.289 -38.413) 39.511 18.202 ( -10.952 1.863 24.150) 26.582 19.135 ( -20.640 0.381 5.810) 21.445 20.264 ( -4.586 -0.579 11.916) 12.781 20.861 ( 5.168 9.280 -1.131) 10.682 21.462 ( -3.299 -17.702 -6.001) 18.980 21.722 ( 4.047 -9.199 -6.503) 11.970 22.220 ( -13.872 -15.241 11.380) 23.542 22.765 ( -9.477 -3.645 3.847) 10.858 23.392 ( 4.769 -7.365 8.375) 12.130 24.648 ( 5.981 5.338 1.374) 8.134 31.097 ( -1.895 -4.058 0.112) 4.480 32.842 ( 29.264 29.128 -18.099) 45.082 ======================= Grid point 120 (41/186) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( 26.558 3.646 7.104) 27.733 3.137 ( 16.442 -31.744 8.171) 36.671 4.314 ( 8.539 -9.899 -7.113) 14.883 4.751 ( 18.463 -16.344 4.302) 25.030 5.373 ( -9.668 -16.632 12.593) 22.993 6.261 ( 2.863 -3.993 -9.120) 10.360 6.555 ( 5.065 4.471 1.347) 6.889 7.610 ( 4.540 18.308 -7.759) 20.396 8.033 ( 4.623 -12.936 -1.453) 13.814 8.569 ( 5.394 -14.818 -4.425) 16.378 9.075 ( 9.879 -7.522 3.564) 12.918 9.715 ( -17.151 -1.380 6.886) 18.533 10.812 ( 4.240 23.330 5.637) 24.373 11.178 ( 1.922 8.699 -14.555) 17.065 11.672 ( -1.074 -15.122 -12.530) 19.668 14.002 ( -21.530 15.397 -1.058) 26.490 15.736 ( 0.541 -5.254 9.197) 10.606 16.330 ( 4.020 10.751 -28.035) 30.294 18.049 ( -14.442 -0.716 22.347) 26.617 19.013 ( -4.975 -1.507 10.741) 11.933 20.273 ( -2.863 -3.992 8.332) 9.673 20.751 ( 4.450 8.263 0.321) 9.391 21.698 ( -3.774 -12.176 -8.870) 15.530 21.924 ( 4.296 -7.640 -7.286) 11.398 22.351 ( -6.911 -10.971 9.330) 15.975 22.696 ( -12.531 -2.251 4.336) 13.449 23.608 ( 6.163 -8.922 6.867) 12.835 24.573 ( 6.493 8.850 -0.011) 10.976 31.147 ( -4.262 -4.737 0.099) 6.372 32.623 ( 19.682 23.108 -10.422) 32.094 ======================= Grid point 121 (42/186) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 22.429 12.579 6.621) 26.554 3.855 ( 14.339 -23.672 -0.043) 27.676 4.422 ( 14.157 7.250 -4.928) 16.651 5.004 ( -0.629 -1.841 -8.736) 8.950 5.635 ( -6.566 -13.519 3.895) 15.525 6.294 ( -4.088 -9.090 -2.067) 10.179 6.532 ( -8.322 -3.663 6.045) 10.919 7.192 ( -4.379 22.939 -2.078) 23.445 8.399 ( 5.213 -8.434 -2.523) 10.231 8.760 ( 8.483 -0.276 0.154) 8.489 9.190 ( -12.774 -6.887 3.286) 14.880 9.824 ( 7.631 -10.987 -0.423) 13.383 10.437 ( 14.486 18.303 18.591) 29.841 11.060 ( 4.181 8.882 -12.535) 15.921 11.916 ( -3.449 -11.240 -16.713) 20.434 13.592 ( -19.206 4.489 -6.770) 20.853 15.786 ( -4.713 -3.634 -8.307) 10.219 16.168 ( 2.677 10.859 -13.757) 17.729 17.976 ( -10.182 -5.734 25.988) 28.494 19.069 ( 8.597 -2.071 11.721) 14.683 20.334 ( -2.065 -5.304 5.772) 8.106 20.656 ( 4.734 7.333 1.632) 8.879 21.833 ( -5.682 -8.128 -9.908) 14.019 22.048 ( 2.626 -1.761 -8.999) 9.538 22.399 ( -11.631 -2.173 8.836) 14.767 22.693 ( -2.138 -8.643 4.717) 10.076 23.777 ( 3.231 -2.422 5.394) 6.738 24.527 ( 10.872 3.941 0.507) 11.576 31.175 ( -7.267 -4.706 -0.011) 8.658 32.400 ( 10.290 18.795 -7.173) 22.596 ======================= Grid point 122 (43/186) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 17.851 17.753 7.125) 26.164 3.950 ( -2.769 20.231 -5.335) 21.106 4.439 ( 15.213 9.025 -1.233) 17.731 5.147 ( 5.489 -6.478 -7.942) 11.626 5.571 ( -20.823 -7.762 -1.501) 22.273 6.250 ( -10.865 2.065 -7.643) 13.444 6.603 ( 3.177 18.564 -2.251) 18.968 6.978 ( -6.228 -20.984 14.929) 26.495 8.292 ( -17.449 2.756 -3.177) 17.949 8.553 ( -3.082 25.275 5.644) 26.080 9.519 ( 1.084 -31.009 3.958) 31.280 9.826 ( 7.770 16.743 -5.602) 19.289 10.528 ( 22.787 5.893 15.330) 28.089 11.055 ( 12.570 -2.885 -10.793) 16.817 11.966 ( -7.299 -0.271 -13.452) 15.307 13.498 ( -13.452 -13.459 -6.791) 20.205 15.821 ( -6.163 -7.464 -25.902) 27.652 15.993 ( -0.695 9.648 0.336) 9.679 18.035 ( -3.593 -7.920 30.818) 32.022 19.247 ( 16.786 -2.753 9.146) 19.313 20.411 ( -1.404 -4.851 3.980) 6.430 20.591 ( 5.850 5.461 2.592) 8.412 21.848 ( -11.123 -1.804 -9.836) 14.958 22.058 ( 2.144 2.678 -8.156) 8.848 22.282 ( -11.314 -1.230 7.249) 13.493 22.880 ( 4.704 -8.002 3.746) 10.009 23.739 ( -2.275 5.855 4.366) 7.650 24.690 ( 19.417 -3.877 1.201) 19.837 31.164 ( -10.496 -4.192 -0.228) 11.305 32.149 ( 0.917 15.487 -5.503) 16.461 ======================= Grid point 123 (44/186) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 8.124 24.801 8.457) 27.434 3.351 ( -8.042 35.407 -2.688) 36.408 4.309 ( 4.748 18.458 1.941) 19.158 4.893 ( -19.292 13.125 3.557) 23.603 5.750 ( 6.710 5.181 -5.454) 10.081 6.102 ( -2.905 6.317 1.212) 7.058 6.380 ( 1.589 -6.248 -11.925) 13.556 7.185 ( -16.583 -8.872 -4.024) 19.233 7.932 ( -5.632 26.654 8.290) 28.476 8.357 ( -8.261 -19.991 6.086) 22.470 9.380 ( 1.674 32.003 -7.574) 32.929 10.171 ( 2.342 -32.978 5.107) 33.453 10.605 ( 21.382 8.306 9.490) 24.824 11.268 ( 12.611 -0.941 -13.289) 18.344 11.795 ( -9.114 8.777 -13.359) 18.400 13.794 ( -5.683 -28.298 2.237) 28.949 15.786 ( -3.249 9.359 10.479) 14.421 15.957 ( -4.683 -11.917 -38.422) 40.499 18.161 ( 0.148 -7.382 34.145) 34.935 19.491 ( 17.688 -3.649 6.100) 19.063 20.469 ( 2.155 -1.234 3.591) 4.366 20.596 ( 5.314 0.335 1.886) 5.649 21.670 ( -15.935 4.530 -5.157) 17.351 21.998 ( 1.825 6.429 -8.502) 10.814 22.257 ( -5.410 -5.059 3.338) 8.125 23.038 ( 5.592 -3.186 2.492) 6.902 23.575 ( -4.301 7.497 4.394) 9.696 25.022 ( 26.300 -5.974 0.928) 26.986 31.109 ( -13.695 -3.530 -0.478) 14.151 31.859 ( -7.392 12.822 -4.377) 15.434 ======================= Grid point 124 (45/186) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -6.098 32.260 10.962) 34.613 2.582 ( -6.394 39.969 4.115) 40.686 3.829 ( -4.647 35.097 13.880) 38.027 4.516 ( -12.811 7.129 4.183) 15.246 5.562 ( 13.053 19.793 -3.552) 23.974 5.909 ( 14.626 18.080 5.805) 23.968 6.424 ( -26.682 5.280 -8.355) 28.453 7.336 ( -3.195 -26.464 -18.985) 32.725 7.530 ( -2.816 8.310 -3.388) 9.405 8.721 ( 5.478 6.663 1.504) 8.756 8.829 ( -5.237 0.804 6.223) 8.173 10.604 ( 15.935 6.024 2.290) 17.189 10.798 ( -2.050 -26.473 3.654) 26.803 11.271 ( 4.424 12.174 -27.110) 30.045 11.558 ( -4.447 4.687 1.268) 6.585 14.286 ( -1.941 -26.422 11.053) 28.707 15.593 ( -2.714 6.864 17.564) 19.052 16.153 ( -2.112 -12.726 -47.738) 49.450 18.292 ( 1.173 -6.047 35.270) 35.803 19.708 ( 10.230 -3.776 6.240) 12.564 20.528 ( 6.774 -0.761 2.707) 7.334 20.657 ( 2.010 -1.755 0.347) 2.690 21.415 ( -12.339 6.129 -2.811) 14.061 21.871 ( 1.005 8.882 -8.468) 12.313 22.327 ( -1.979 -6.439 0.524) 6.757 23.101 ( 4.049 1.929 1.571) 4.752 23.404 ( -3.392 6.319 5.281) 8.906 25.427 ( 27.973 -7.152 -0.033) 28.873 31.013 ( -15.887 -2.840 -0.472) 16.146 31.541 ( -10.436 11.583 -3.133) 15.902 ======================= Grid point 125 (46/186) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.000 33.671 14.874) 36.809 1.834 ( 0.000 36.901 19.930) 41.939 2.999 ( 0.000 50.669 29.442) 58.602 4.414 ( -0.000 -1.599 0.738) 1.761 5.274 ( 0.000 18.826 1.467) 18.883 5.757 ( 0.000 22.190 13.349) 25.896 5.971 ( 0.000 7.602 -14.921) 16.746 7.315 ( 0.000 7.551 -10.016) 12.543 8.046 ( -0.000 -39.970 -27.820) 48.699 8.290 ( 0.000 18.339 2.801) 18.552 9.182 ( -0.000 -18.128 13.848) 22.812 10.514 ( 0.000 13.679 -8.592) 16.154 10.830 ( 0.000 22.741 -36.448) 42.961 11.375 ( -0.000 -24.582 9.530) 26.364 11.537 ( -0.000 -2.291 7.486) 7.829 14.582 ( -0.000 -6.151 21.098) 21.977 15.561 ( -0.000 -5.765 15.473) 16.512 16.351 ( -0.000 -9.786 -50.942) 51.873 18.394 ( -0.000 -4.265 34.010) 34.277 19.840 ( -0.000 -5.778 10.392) 11.890 20.625 ( -0.000 -3.038 0.233) 3.047 20.660 ( 0.000 0.510 0.749) 0.906 21.242 ( 0.000 5.343 -2.938) 6.098 21.702 ( 0.000 10.508 -10.461) 14.828 22.444 ( -0.000 -7.464 -0.537) 7.483 23.044 ( 0.000 6.639 0.277) 6.645 23.298 ( 0.000 3.432 7.258) 8.029 25.772 ( -0.000 -9.257 -1.538) 9.384 30.931 ( -0.000 -1.271 0.332) 1.314 31.270 ( 0.000 10.310 -1.527) 10.423 ======================= Grid point 128 (47/186) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 14.436 -0.000 30.277) 33.543 1.888 ( 20.266 -0.000 54.600) 58.240 3.737 ( -8.288 0.000 0.530) 8.305 3.758 ( 66.353 -0.000 10.795) 67.226 5.014 ( 8.402 -0.000 3.845) 9.240 5.864 ( 42.412 -0.000 6.480) 42.904 6.612 ( -5.986 0.000 -15.133) 16.274 7.308 ( 18.259 -0.000 3.831) 18.657 7.580 ( -19.132 0.000 11.868) 22.514 8.754 ( -13.114 0.000 6.055) 14.445 9.293 ( 4.603 -0.000 -34.509) 34.815 9.791 ( 7.065 -0.000 -2.654) 7.547 10.326 ( 8.129 -0.000 -26.688) 27.898 11.036 ( -15.684 0.000 -1.853) 15.793 12.749 ( -1.189 0.000 3.358) 3.563 14.396 ( -4.497 0.000 28.464) 28.817 15.558 ( -14.747 0.000 14.081) 20.390 16.613 ( 4.061 -0.000 -42.051) 42.247 18.250 ( -7.878 0.000 23.435) 24.724 19.140 ( -28.492 0.000 0.714) 28.501 20.444 ( -13.484 0.000 28.609) 31.627 20.725 ( -1.669 0.000 1.072) 1.983 21.264 ( 7.234 -0.000 -7.224) 10.223 21.326 ( 7.215 -0.000 -3.059) 7.837 21.793 ( -10.688 0.000 18.226) 21.128 22.698 ( -4.398 0.000 3.183) 5.429 23.276 ( 3.724 -0.000 8.900) 9.648 24.791 ( 22.317 -0.000 -0.798) 22.331 31.023 ( -0.311 0.000 0.582) 0.660 33.624 ( 13.173 -0.000 -37.811) 40.040 ======================= Grid point 129 (48/186) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 13.440 -22.602 27.279) 37.889 2.436 ( 19.147 -33.054 38.006) 53.885 3.674 ( 8.162 3.441 2.377) 9.171 4.439 ( 35.357 -11.099 9.824) 38.338 5.175 ( 19.987 1.372 -0.784) 20.049 6.252 ( 33.147 4.553 -0.274) 33.459 6.593 ( -1.864 -4.173 -8.297) 9.473 7.399 ( -7.137 -5.377 2.560) 9.296 7.638 ( 2.649 -16.781 10.445) 19.943 8.695 ( -5.045 3.278 -4.955) 7.794 9.062 ( 10.068 17.790 -21.527) 29.686 9.901 ( 0.152 2.693 3.408) 4.347 10.581 ( 4.437 -18.086 -36.042) 40.569 10.964 ( -10.420 -9.461 -4.719) 14.845 12.391 ( -3.222 29.458 10.818) 31.546 14.369 ( -16.970 0.852 17.536) 24.417 15.457 ( -9.569 -7.703 19.098) 22.708 16.618 ( 4.077 4.342 -37.470) 37.940 18.128 ( -11.367 3.904 18.625) 22.166 18.907 ( -18.721 -3.439 2.634) 19.216 20.250 ( -4.894 4.140 17.895) 19.009 20.988 ( -6.264 -23.814 1.958) 24.702 21.120 ( 6.050 12.107 -2.863) 13.834 21.590 ( 4.152 -9.909 -4.995) 11.848 21.813 ( -7.519 -11.869 11.408) 18.098 22.646 ( -7.691 -0.681 5.458) 9.456 23.356 ( 6.246 -3.627 8.027) 10.798 24.956 ( 22.062 8.346 -4.535) 24.020 31.033 ( -0.939 -1.523 0.905) 2.005 33.517 ( 9.828 19.693 -23.398) 32.123 ======================= Grid point 130 (49/186) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 14.851 -33.390 17.049) 40.325 3.228 ( 29.674 -16.382 17.982) 38.370 3.850 ( 5.573 -21.044 6.219) 22.640 4.868 ( 8.756 -11.681 12.574) 19.267 5.289 ( 24.560 11.660 -3.925) 27.469 6.248 ( -7.991 5.512 -14.646) 17.571 6.713 ( 9.328 4.493 8.245) 13.235 7.554 ( -6.022 -21.622 -2.952) 22.639 8.005 ( 6.089 -3.354 -0.664) 6.983 8.495 ( 12.363 3.840 -11.042) 17.016 9.108 ( 14.796 -2.710 -0.751) 15.061 9.676 ( -11.703 11.589 3.733) 16.888 10.903 ( 2.947 -10.847 -21.136) 23.939 11.190 ( 0.147 -17.836 -23.865) 29.795 11.797 ( -0.292 30.590 17.017) 35.006 13.952 ( -32.729 12.279 7.993) 35.859 15.614 ( -0.537 -10.481 15.841) 19.002 16.538 ( 3.101 8.308 -29.844) 31.134 17.889 ( -17.416 3.630 15.963) 23.902 18.907 ( -2.302 -7.380 7.445) 10.733 20.196 ( -2.301 -1.371 11.742) 12.043 20.974 ( 5.749 10.464 -1.366) 12.018 21.355 ( -5.673 -21.484 -4.686) 22.709 21.772 ( -0.429 -10.350 2.387) 10.630 21.999 ( -5.935 -14.075 2.827) 15.534 22.556 ( -10.536 0.088 7.374) 12.861 23.539 ( 8.429 -7.850 6.564) 13.257 24.939 ( 17.531 15.325 -4.578) 23.731 31.049 ( -2.589 -2.056 1.074) 3.476 33.220 ( 9.973 23.245 -14.098) 28.958 ======================= Grid point 131 (50/186) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 20.902 -24.340 6.955) 32.828 3.540 ( 30.744 2.623 7.643) 31.788 4.464 ( 8.104 -22.250 -1.290) 23.715 5.074 ( -4.437 -8.937 10.802) 14.705 5.335 ( 14.861 -0.273 3.237) 15.212 6.020 ( -14.999 4.310 -6.315) 16.836 6.525 ( -15.364 8.708 4.788) 18.298 7.663 ( 3.633 26.237 -13.199) 29.594 8.078 ( 0.160 -29.753 -7.386) 30.656 8.794 ( 6.947 1.933 -5.520) 9.081 9.193 ( 0.786 6.939 9.071) 11.448 9.632 ( 15.817 -18.896 3.621) 24.907 10.951 ( 4.154 15.306 -0.076) 15.860 11.262 ( 7.713 9.340 -10.940) 16.322 11.638 ( 0.304 -12.805 -9.325) 15.844 13.402 ( -35.604 6.475 1.740) 36.230 15.715 ( -1.808 -1.609 -0.703) 2.520 16.390 ( 1.909 10.811 -18.892) 21.850 17.733 ( -13.609 -5.576 22.646) 27.003 19.079 ( 7.964 -7.471 8.354) 13.749 20.230 ( -1.443 -4.059 8.162) 9.229 20.859 ( 6.017 8.860 -0.253) 10.713 21.601 ( -5.262 -11.587 -8.665) 15.396 21.970 ( -0.476 -10.071 -0.549) 10.097 22.167 ( -8.328 -11.317 3.741) 14.541 22.465 ( -9.225 -4.315 8.850) 13.492 23.778 ( 9.079 -6.939 4.411) 12.249 24.810 ( 12.855 14.233 -2.836) 19.387 31.048 ( -4.867 -1.900 1.135) 5.347 32.893 ( 7.685 23.043 -9.476) 26.074 ======================= Grid point 132 (51/186) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( 37.119 23.490 6.457) 44.400 4.148 ( 13.564 -11.509 -1.447) 17.848 4.617 ( 0.852 -6.831 -6.188) 9.257 5.039 ( 0.134 8.133 -3.639) 8.911 5.406 ( -16.590 7.695 5.152) 19.000 6.089 ( -12.150 -24.750 8.845) 28.955 6.306 ( -6.523 -10.170 5.671) 13.347 7.196 ( 5.223 28.332 -12.029) 31.220 8.273 ( -16.511 12.420 -9.911) 22.915 8.857 ( 1.709 -21.839 0.360) 21.909 9.042 ( -0.538 9.262 7.048) 11.651 10.158 ( 18.010 1.835 -4.877) 18.749 10.775 ( 16.747 -0.925 13.500) 21.530 11.237 ( 10.674 7.300 -7.717) 15.059 11.816 ( -3.740 -6.119 -9.580) 11.967 13.079 ( -28.278 -9.101 -4.951) 30.116 15.688 ( -3.813 -0.883 -19.801) 20.184 16.190 ( -0.074 12.082 -7.192) 14.060 17.803 ( -5.719 -11.688 30.930) 33.556 19.315 ( 11.700 -6.814 6.917) 15.204 20.302 ( -1.050 -5.165 5.672) 7.743 20.779 ( 6.947 7.227 0.406) 10.033 21.673 ( -9.514 -4.588 -6.603) 12.457 22.073 ( -0.608 -2.544 -1.772) 3.159 22.173 ( -6.804 -1.015 0.533) 6.900 22.626 ( -3.816 -17.558 8.128) 19.721 23.892 ( 6.376 5.096 1.984) 8.400 24.788 ( 11.336 -0.284 -0.595) 11.356 31.016 ( -6.913 -1.291 1.130) 7.123 32.541 ( 3.836 22.488 -6.937) 23.845 ======================= Grid point 133 (52/186) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 24.724 34.828 8.167) 43.485 3.892 ( -2.565 29.493 -6.046) 30.216 4.651 ( -8.688 13.825 -3.761) 16.756 4.944 ( -4.267 12.466 8.152) 15.494 5.392 ( -3.815 -37.788 -7.099) 38.638 6.091 ( 3.361 6.027 -3.709) 7.834 6.721 ( -8.147 -5.346 3.584) 10.383 6.834 ( 4.259 5.330 -4.541) 8.196 7.916 ( -13.117 -2.660 -0.775) 13.406 8.531 ( -0.200 31.926 7.505) 32.797 9.544 ( 0.653 -36.253 2.192) 36.325 9.930 ( 2.456 24.902 -6.981) 25.978 10.985 ( 15.489 11.008 6.041) 19.940 11.365 ( 14.462 -8.058 -9.844) 19.261 11.768 ( -10.393 2.397 -4.620) 11.624 13.194 ( -11.635 -26.270 -1.153) 28.755 15.728 ( -2.371 -7.632 -34.820) 35.725 15.964 ( -1.255 11.867 3.700) 12.494 17.985 ( -1.167 -11.255 35.338) 37.105 19.542 ( 8.675 -6.017 5.262) 11.797 20.389 ( -0.600 -5.286 3.755) 6.512 20.742 ( 6.949 4.977 0.352) 8.555 21.577 ( -11.167 2.065 -1.869) 11.509 22.094 ( 1.510 1.423 -6.241) 6.577 22.139 ( -3.473 -2.222 0.899) 4.219 22.900 ( -0.793 -13.932 5.265) 14.915 23.752 ( 1.694 12.535 1.779) 12.773 25.033 ( 10.392 -11.975 -0.535) 15.864 30.957 ( -6.862 -0.351 1.132) 6.963 32.163 ( 0.378 21.362 -5.142) 21.975 ======================= Grid point 134 (53/186) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 0.000 39.877 10.281) 41.181 3.258 ( 0.000 37.263 -3.852) 37.461 4.330 ( 0.000 19.591 0.734) 19.605 4.615 ( 0.000 14.988 11.161) 18.687 5.946 ( 0.000 13.460 -1.232) 13.516 6.033 ( -0.000 -23.790 -13.548) 27.377 6.497 ( 0.000 19.117 -1.288) 19.160 6.822 ( -0.000 -10.916 -11.756) 16.042 7.941 ( 0.000 29.780 4.693) 30.148 8.238 ( -0.000 -30.255 12.355) 32.680 9.401 ( 0.000 33.619 -8.139) 34.590 10.190 ( -0.000 -34.229 4.533) 34.528 10.859 ( 0.000 9.680 4.270) 10.580 11.517 ( 0.000 5.982 -27.152) 27.803 11.589 ( 0.000 4.770 3.447) 5.885 13.709 ( -0.000 -33.575 7.799) 34.469 15.747 ( 0.000 10.898 12.600) 16.659 15.906 ( -0.000 -12.575 -44.276) 46.027 18.163 ( -0.000 -8.703 36.625) 37.644 19.687 ( -0.000 -4.602 5.137) 6.897 20.479 ( -0.000 -4.905 2.218) 5.383 20.717 ( 0.000 2.830 0.150) 2.834 21.440 ( 0.000 4.921 -0.579) 4.955 22.018 ( 0.000 6.597 -8.248) 10.562 22.205 ( -0.000 -5.605 1.031) 5.699 23.084 ( -0.000 -6.153 3.011) 6.851 23.541 ( 0.000 10.575 3.278) 11.072 25.345 ( -0.000 -14.108 -1.573) 14.195 30.912 ( 0.000 0.159 1.064) 1.076 31.796 ( 0.000 18.710 -3.634) 19.060 ======================= Grid point 139 (54/186) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 2.198 -0.000 26.981) 27.070 2.299 ( 18.544 -0.000 55.046) 58.086 3.898 ( 21.509 -0.000 3.821) 21.846 4.566 ( 13.258 -0.000 7.847) 15.406 5.570 ( 43.079 -0.000 -3.623) 43.231 6.395 ( -11.741 0.000 -13.961) 18.242 6.762 ( 29.721 -0.000 -3.502) 29.927 7.338 ( -17.796 0.000 12.785) 21.912 7.363 ( 10.563 -0.000 13.475) 17.122 8.760 ( 13.381 -0.000 -3.080) 13.731 9.381 ( 3.338 -0.000 -31.494) 31.670 9.920 ( 5.233 -0.000 -2.103) 5.640 10.480 ( 6.539 -0.000 -30.131) 30.833 10.711 ( -13.936 0.000 -4.644) 14.690 12.560 ( -17.506 0.000 2.650) 17.706 14.301 ( -4.404 0.000 28.483) 28.822 15.173 ( -21.078 0.000 21.401) 30.038 16.704 ( 4.387 -0.000 -35.195) 35.467 18.098 ( -6.394 0.000 15.106) 16.404 18.661 ( -17.314 0.000 -0.641) 17.326 20.255 ( -5.771 0.000 22.926) 23.641 20.696 ( -1.123 0.000 1.369) 1.771 21.379 ( 4.161 -0.000 -7.100) 8.230 21.473 ( 6.914 -0.000 -3.764) 7.872 21.652 ( -4.333 0.000 9.521) 10.460 22.561 ( -8.311 0.000 7.745) 11.361 23.384 ( 6.083 -0.000 7.838) 9.922 25.281 ( 22.668 -0.000 -7.933) 24.016 31.014 ( -0.489 0.000 1.434) 1.515 33.732 ( 0.350 -0.000 -20.392) 20.395 ======================= Grid point 140 (55/186) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 5.431 -32.732 20.951) 39.241 2.765 ( 13.340 -32.552 47.679) 59.253 4.086 ( 29.078 7.193 4.681) 30.318 4.718 ( 1.973 -6.583 5.941) 9.084 5.874 ( 32.678 13.063 -4.753) 35.512 6.267 ( -4.481 2.988 -13.402) 14.444 6.864 ( -7.417 7.623 5.776) 12.103 7.093 ( -16.515 -12.486 -0.212) 20.704 7.932 ( 35.052 -19.918 11.498) 41.923 8.808 ( 10.185 12.514 -11.706) 19.934 9.305 ( 12.251 5.427 -15.591) 20.558 9.816 ( -7.778 14.486 1.256) 16.490 10.668 ( 4.566 -15.131 -29.898) 33.818 10.842 ( -0.487 -18.698 -14.190) 23.478 12.189 ( -17.678 15.783 4.000) 24.034 13.949 ( -21.141 23.181 23.358) 39.114 15.272 ( -7.574 -23.039 24.449) 34.438 16.697 ( 3.413 5.217 -30.662) 31.290 17.884 ( -10.935 12.119 9.594) 18.934 18.678 ( -4.989 -13.403 2.859) 14.584 20.177 ( -2.407 1.666 16.246) 16.507 20.891 ( -3.192 -19.892 2.236) 20.270 21.240 ( 5.219 11.836 -3.989) 13.536 21.622 ( -1.128 -4.496 4.722) 6.617 21.752 ( 0.991 -12.054 -3.728) 12.656 22.467 ( -8.923 0.695 10.085) 13.483 23.493 ( 6.191 -5.165 7.141) 10.770 25.386 ( 17.945 11.482 -8.384) 22.894 31.012 ( -0.970 -0.339 1.734) 2.016 33.606 ( 0.801 12.699 -14.962) 19.640 ======================= Grid point 141 (56/186) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 8.436 -37.991 15.019) 41.714 3.677 ( 12.908 -48.905 30.517) 59.073 4.264 ( 32.158 6.905 5.322) 33.319 4.794 ( -7.004 -4.233 4.853) 9.515 5.757 ( 4.872 19.035 -8.419) 21.376 6.126 ( -3.330 15.240 0.476) 15.607 6.521 ( -12.364 7.548 2.737) 14.742 7.445 ( -4.289 -31.709 -7.067) 32.768 8.201 ( 9.064 22.470 -16.217) 29.156 8.909 ( 15.951 -5.856 -4.332) 17.535 9.387 ( 4.544 13.564 7.504) 16.154 9.516 ( 9.953 -9.209 0.783) 13.582 10.940 ( -3.484 -9.283 -17.865) 20.432 11.222 ( 4.911 -15.793 -29.658) 33.958 11.795 ( 0.787 11.652 9.146) 14.834 13.228 ( -33.795 21.323 18.398) 43.992 15.595 ( -0.948 -13.357 14.159) 19.488 16.593 ( 2.182 9.165 -23.598) 25.409 17.581 ( -11.127 5.223 13.219) 18.051 18.938 ( 3.168 -14.542 4.667) 15.597 20.163 ( -1.022 -1.813 11.212) 11.403 21.090 ( 5.235 9.705 -2.757) 11.366 21.258 ( -3.484 -21.182 -2.974) 21.672 21.711 ( -4.011 -9.286 10.701) 14.725 21.959 ( 0.288 -9.237 -8.456) 12.526 22.361 ( -7.568 0.883 11.597) 13.876 23.694 ( 5.804 -9.755 5.560) 12.640 25.256 ( 11.653 18.711 -6.774) 23.060 31.000 ( -1.900 0.107 1.867) 2.666 33.332 ( 2.277 18.785 -11.046) 21.911 ======================= Grid point 142 (57/186) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 7.427 -41.461 7.146) 42.723 4.345 ( 41.164 12.149 5.741) 43.302 4.603 ( 4.080 0.379 -2.437) 4.768 4.940 ( -6.332 -42.704 22.789) 48.817 5.276 ( -23.664 20.028 -1.510) 31.038 5.713 ( -11.740 14.596 4.430) 19.248 6.375 ( 4.235 8.269 -3.308) 9.862 7.765 ( 4.648 27.970 -17.350) 33.241 8.046 ( -2.292 -32.386 -10.071) 33.993 8.644 ( -10.084 18.278 -5.090) 21.487 9.313 ( 4.748 8.934 4.697) 11.154 10.183 ( 29.383 -27.964 7.552) 41.260 10.814 ( -15.796 7.453 -3.758) 17.866 11.394 ( 1.927 -1.325 -26.625) 26.728 11.901 ( 26.831 3.430 9.531) 28.679 12.614 ( -38.624 -0.334 4.167) 38.849 15.685 ( -0.825 0.915 -6.097) 6.220 16.414 ( 0.522 12.032 -15.018) 19.251 17.540 ( -4.833 -9.380 25.361) 27.468 19.227 ( 4.535 -12.185 4.804) 13.860 20.210 ( -0.476 -4.023 8.026) 8.990 20.979 ( 4.396 8.064 -2.260) 9.458 21.499 ( -3.721 -8.200 -6.283) 10.980 21.900 ( -3.729 -14.187 12.132) 19.036 22.085 ( -0.776 -4.861 -9.769) 10.939 22.336 ( -3.142 -6.945 11.691) 13.957 23.924 ( 4.047 -7.990 2.968) 9.435 25.011 ( 5.484 15.536 -3.921) 16.936 30.970 ( -2.182 0.808 1.870) 2.985 32.982 ( 1.748 22.072 -8.582) 23.746 ======================= Grid point 143 (58/186) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.214 ( 0.000 33.061 6.876) 33.768 4.332 ( 0.000 20.037 -6.272) 20.995 4.562 ( -0.000 -38.894 0.582) 38.898 4.670 ( 0.000 4.687 -0.684) 4.736 5.318 ( 0.000 19.354 2.547) 19.521 5.971 ( -0.000 -50.517 18.138) 53.674 6.252 ( 0.000 7.465 -1.846) 7.690 7.305 ( 0.000 25.740 -14.466) 29.527 8.017 ( 0.000 18.777 -10.994) 21.759 8.873 ( -0.000 -36.732 0.400) 36.734 9.049 ( 0.000 22.855 6.047) 23.642 10.357 ( 0.000 20.781 -5.518) 21.502 11.027 ( -0.000 -32.060 2.742) 32.177 11.308 ( 0.000 11.308 -7.175) 13.392 11.855 ( 0.000 11.248 7.389) 13.458 12.674 ( -0.000 -22.418 -8.748) 24.065 15.648 ( 0.000 0.115 -23.588) 23.589 16.186 ( 0.000 12.939 -5.722) 14.147 17.745 ( -0.000 -13.807 33.147) 35.907 19.448 ( -0.000 -9.145 4.756) 10.308 20.291 ( -0.000 -5.066 5.645) 7.585 20.878 ( 0.000 6.101 -1.627) 6.315 21.538 ( -0.000 -0.532 -1.609) 1.694 22.044 ( -0.000 -4.654 6.382) 7.899 22.129 ( -0.000 -0.727 -9.862) 9.889 22.581 ( -0.000 -18.798 9.004) 20.843 23.968 ( 0.000 6.838 0.649) 6.869 24.914 ( -0.000 -3.039 -1.078) 3.225 30.937 ( 0.000 1.104 1.716) 2.041 32.578 ( 0.000 23.274 -6.739) 24.230 ======================= Grid point 150 (59/186) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 1.312 -0.000 27.148) 27.180 2.613 ( 11.129 -0.000 58.818) 59.862 4.455 ( 28.136 -0.000 4.839) 28.550 4.689 ( 2.647 -0.000 2.675) 3.764 6.202 ( -5.510 0.000 -11.345) 12.612 6.369 ( 29.709 -0.000 -3.949) 29.970 6.783 ( -8.186 0.000 -8.407) 11.734 6.789 ( -30.193 0.000 13.146) 32.931 8.175 ( 44.887 -0.000 10.239) 46.040 9.081 ( 13.587 -0.000 -2.771) 13.867 9.361 ( -7.694 0.000 -23.258) 24.497 9.993 ( 1.801 -0.000 -4.617) 4.956 10.588 ( 3.806 -0.000 -32.864) 33.084 10.619 ( 10.100 -0.000 -9.489) 13.858 12.008 ( -35.709 0.000 -4.415) 35.981 14.228 ( -2.455 0.000 30.646) 30.744 14.788 ( -14.136 0.000 30.200) 33.345 16.778 ( 2.562 -0.000 -29.374) 29.486 18.000 ( -3.091 0.000 7.129) 7.771 18.421 ( -6.721 0.000 -0.973) 6.791 20.178 ( -2.134 0.000 19.320) 19.438 20.678 ( -0.555 0.000 1.463) 1.565 21.444 ( 2.250 -0.000 -7.075) 7.424 21.589 ( -2.116 0.000 6.632) 6.961 21.602 ( 5.283 -0.000 -6.272) 8.200 22.390 ( -7.321 0.000 12.917) 14.848 23.497 ( 4.225 -0.000 7.416) 8.535 25.660 ( 13.197 -0.000 -10.122) 16.632 31.005 ( -0.393 0.000 2.103) 2.140 33.708 ( -1.675 0.000 -13.458) 13.562 ======================= Grid point 151 (60/186) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 1.994 -38.164 19.735) 43.011 2.968 ( 5.525 -30.478 54.376) 62.580 4.666 ( 17.254 3.021 2.637) 17.714 4.734 ( 4.344 -0.879 1.604) 4.713 6.063 ( 1.731 12.784 -6.597) 14.490 6.324 ( -21.036 15.902 8.318) 27.651 6.597 ( 10.625 2.161 -3.362) 11.351 6.909 ( -4.569 -20.396 -7.851) 22.328 8.642 ( 24.650 4.091 -5.665) 25.621 8.945 ( 0.094 5.149 -4.708) 6.978 9.413 ( -2.938 -6.424 -3.882) 8.061 9.777 ( 6.086 18.305 -2.607) 19.466 10.724 ( 0.403 -10.070 -28.961) 30.665 11.033 ( 20.777 -16.974 -17.311) 31.929 11.648 ( -32.494 -4.957 -6.760) 33.558 13.626 ( -8.313 41.282 32.694) 53.312 15.166 ( -2.603 -30.798 27.525) 41.387 16.749 ( 1.388 5.352 -26.199) 26.776 17.723 ( -4.099 17.746 4.676) 18.804 18.634 ( -0.463 -19.543 1.500) 19.606 20.146 ( -0.712 0.786 15.191) 15.228 20.850 ( -0.941 -17.609 2.092) 17.758 21.322 ( 2.379 10.383 -5.694) 12.079 21.590 ( -1.155 -2.477 7.271) 7.768 21.790 ( 1.521 -10.406 -9.189) 13.965 22.318 ( -4.405 1.013 14.734) 15.412 23.586 ( 2.471 -6.076 6.857) 9.489 25.647 ( 6.665 12.395 -9.624) 17.049 30.997 ( -0.421 0.486 2.241) 2.332 33.602 ( -0.458 9.966 -11.548) 15.261 ======================= Grid point 152 (61/186) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( -0.000 -40.500 14.259) 42.937 3.815 ( -0.000 -56.525 38.673) 68.488 4.683 ( 0.000 2.412 -0.786) 2.537 4.792 ( 0.000 2.080 0.427) 2.123 5.636 ( 0.000 31.717 7.741) 32.648 5.938 ( 0.000 14.021 -3.049) 14.349 6.563 ( 0.000 7.584 -3.657) 8.420 7.394 ( -0.000 -33.870 -8.318) 34.876 8.304 ( 0.000 28.293 -19.897) 34.589 8.959 ( 0.000 14.459 -6.818) 15.986 9.431 ( 0.000 1.343 1.913) 2.337 9.821 ( -0.000 -20.744 12.973) 24.466 10.826 ( 0.000 0.449 -16.745) 16.751 11.313 ( -0.000 -5.622 -30.305) 30.823 11.821 ( -0.000 -26.122 -8.816) 27.569 12.808 ( 0.000 40.298 33.461) 52.379 15.584 ( -0.000 -14.384 13.963) 20.046 16.618 ( 0.000 9.667 -21.427) 23.506 17.463 ( 0.000 5.714 12.482) 13.728 18.978 ( -0.000 -17.305 3.087) 17.578 20.153 ( -0.000 -1.930 11.020) 11.187 21.157 ( 0.000 9.284 -4.388) 10.269 21.218 ( -0.000 -20.881 -2.403) 21.019 21.660 ( -0.000 -7.236 12.094) 14.093 21.966 ( -0.000 -8.076 -10.697) 13.404 22.278 ( 0.000 0.433 14.015) 14.022 23.756 ( -0.000 -10.674 5.263) 11.901 25.380 ( 0.000 19.522 -7.361) 20.864 30.980 ( 0.000 1.050 2.179) 2.419 33.351 ( 0.000 17.344 -10.025) 20.033 ======================= Grid point 163 (62/186) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.000 0.000 27.627) 27.627 2.731 ( -0.000 0.000 61.080) 61.080 4.716 ( 0.000 -0.000 0.363) 0.363 4.815 ( -0.000 0.000 2.673) 2.673 6.222 ( -0.000 0.000 -5.588) 5.588 6.328 ( 0.000 -0.000 9.965) 9.965 6.680 ( -0.000 0.000 -9.437) 9.437 6.696 ( -0.000 0.000 -2.801) 2.801 8.774 ( -0.000 0.000 9.921) 9.921 9.141 ( 0.000 0.000 -22.856) 22.856 9.231 ( 0.000 -0.000 -0.420) 0.420 10.007 ( -0.000 0.000 -7.960) 7.960 10.629 ( 0.000 0.000 -33.292) 33.292 11.107 ( 0.000 -0.000 -2.744) 2.744 11.256 ( -0.000 0.000 -16.126) 16.126 14.203 ( 0.000 0.000 31.999) 31.999 14.639 ( 0.000 0.000 33.784) 33.784 16.805 ( 0.000 0.000 -26.944) 26.944 17.969 ( 0.000 -0.000 3.623) 3.623 18.356 ( 0.000 0.000 -1.044) 1.044 20.157 ( 0.000 0.000 18.258) 18.258 20.673 ( 0.000 0.000 1.476) 1.476 21.469 ( 0.000 -0.000 -7.481) 7.481 21.565 ( 0.000 0.000 6.293) 6.293 21.664 ( 0.000 -0.000 -8.692) 8.692 22.305 ( 0.000 0.000 16.293) 16.293 23.542 ( 0.000 0.000 7.335) 7.335 25.799 ( 0.000 0.000 -10.658) 10.658 31.000 ( 0.000 -0.000 2.355) 2.355 33.688 ( 0.000 -0.000 -11.573) 11.573 ======================= Grid point 210 (63/186) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 0.000 32.246) 32.246 1.882 ( 0.000 0.000 42.128) 42.128 2.950 ( 0.000 0.000 55.128) 55.128 4.738 ( 0.000 0.000 -5.717) 5.717 4.764 ( 0.000 0.000 6.784) 6.784 5.395 ( 0.000 0.000 -25.546) 25.546 5.586 ( 0.000 0.000 27.708) 27.708 6.972 ( 0.000 0.000 -8.849) 8.849 8.326 ( 0.000 0.000 -42.472) 42.472 8.752 ( 0.000 0.000 2.106) 2.106 8.952 ( 0.000 0.000 -48.349) 48.349 9.588 ( 0.000 0.000 10.948) 10.948 10.024 ( 0.000 0.000 19.402) 19.402 11.648 ( 0.000 0.000 -2.659) 2.659 12.106 ( 0.000 0.000 4.027) 4.027 15.235 ( 0.000 0.000 37.860) 37.860 15.426 ( 0.000 0.000 -57.435) 57.435 16.102 ( 0.000 0.000 16.811) 16.811 19.023 ( 0.000 0.000 22.900) 22.900 20.170 ( 0.000 0.000 -6.307) 6.307 20.680 ( 0.000 0.000 -0.017) 0.017 20.802 ( 0.000 0.000 1.447) 1.447 21.028 ( 0.000 0.000 -5.319) 5.319 21.117 ( 0.000 0.000 -0.529) 0.529 22.707 ( 0.000 0.000 -2.559) 2.559 22.719 ( 0.000 0.000 -1.330) 1.330 23.522 ( 0.000 0.000 17.530) 17.530 25.881 ( 0.000 0.000 -9.477) 9.477 31.002 ( 0.000 0.000 -0.609) 0.609 31.017 ( 0.000 0.000 -0.680) 0.680 ======================= Grid point 211 (64/186) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 32.623 -12.031 24.249) 42.391 2.190 ( 8.894 -21.247 38.062) 44.489 3.168 ( 12.069 -18.763 47.531) 52.506 4.471 ( -15.694 2.618 1.781) 16.010 4.921 ( -7.547 -11.954 -5.564) 15.193 5.579 ( 11.454 -3.500 4.885) 12.935 5.867 ( 25.846 -17.834 5.025) 31.801 6.978 ( -2.277 -2.557 -9.594) 10.187 7.973 ( 0.620 28.825 -38.669) 48.234 8.409 ( -8.231 15.523 7.905) 19.266 9.254 ( 2.062 -20.480 -42.528) 47.247 9.824 ( -17.016 -15.816 5.089) 23.782 10.065 ( 7.047 -7.023 9.224) 13.567 11.522 ( -17.015 1.448 0.378) 17.081 12.093 ( 20.183 16.384 2.364) 26.103 15.157 ( -10.193 3.556 11.251) 15.593 15.459 ( 11.221 3.232 -34.223) 36.160 16.035 ( -0.455 5.477 18.359) 19.164 18.989 ( -5.418 0.453 22.631) 23.275 19.994 ( -19.076 4.421 -1.495) 19.639 20.687 ( 1.084 4.911 4.378) 6.668 20.755 ( 4.503 2.765 -0.096) 5.285 21.095 ( 4.947 -5.133 -5.076) 8.751 21.263 ( -1.480 -12.760 -6.228) 14.275 22.572 ( 1.161 7.008 0.100) 7.104 22.878 ( -0.508 -9.245 -0.587) 9.278 23.518 ( -0.102 0.029 16.573) 16.573 25.578 ( -41.942 1.974 0.510) 41.992 31.030 ( 3.215 -0.824 -0.980) 3.460 31.282 ( 41.579 1.192 -10.092) 42.802 ======================= Grid point 212 (65/186) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 25.910 -13.935 17.278) 34.118 2.663 ( 14.909 -17.896 36.838) 43.585 3.730 ( 11.018 -21.662 20.493) 31.790 4.439 ( -9.664 -14.195 2.099) 17.301 5.133 ( 9.468 -13.418 -1.062) 16.457 5.793 ( 4.578 -10.772 14.985) 19.015 6.416 ( 18.852 -7.152 -3.949) 20.546 7.075 ( 2.893 -9.853 -9.607) 14.062 7.521 ( 10.982 20.990 -28.341) 36.938 8.263 ( -6.782 -8.583 2.507) 11.222 9.404 ( -4.669 6.315 4.118) 8.868 9.965 ( -3.076 -19.043 -36.934) 41.668 10.282 ( -8.524 -12.780 1.348) 15.420 11.289 ( -13.381 7.556 -0.567) 15.378 11.898 ( 11.630 21.022 7.517) 25.174 14.850 ( -13.757 17.293 -4.738) 22.600 15.499 ( 13.652 7.386 -25.942) 30.231 15.983 ( 2.571 0.332 20.360) 20.524 18.903 ( -8.933 0.687 22.503) 24.221 19.714 ( -22.157 1.972 2.966) 22.441 20.597 ( -3.814 2.054 9.272) 10.234 20.735 ( 3.772 4.464 -1.038) 5.936 21.295 ( 8.236 -8.097 -6.556) 13.281 21.469 ( -1.496 -11.077 -9.838) 14.890 22.496 ( 4.132 4.190 3.664) 6.932 23.014 ( -3.305 -6.964 2.677) 8.160 23.543 ( 2.201 -2.366 13.101) 13.494 25.144 ( -37.221 -0.513 4.220) 37.463 31.095 ( 2.522 -2.901 -0.940) 3.957 31.640 ( 39.934 7.185 -13.901) 42.890 ======================= Grid point 213 (66/186) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 16.004 -9.297 12.801) 22.504 3.152 ( 14.310 -19.522 25.537) 35.185 4.070 ( 0.180 -11.147 0.496) 11.159 4.679 ( -2.428 -16.243 -0.444) 16.430 5.624 ( 19.497 -18.455 9.166) 28.368 6.000 ( 1.262 -7.763 5.261) 9.462 6.391 ( 2.275 13.580 -8.983) 16.440 7.225 ( 13.810 0.040 -12.027) 18.313 7.743 ( 19.697 -19.286 -0.092) 27.567 8.520 ( -7.091 -22.333 -3.295) 23.663 9.144 ( 0.293 12.885 13.073) 18.358 10.241 ( -10.719 -9.577 -17.660) 22.771 10.370 ( -6.886 -10.847 -25.955) 28.961 10.946 ( -4.371 19.166 -2.188) 19.780 11.693 ( 0.998 6.375 8.764) 10.883 14.289 ( -14.708 26.314 -5.452) 30.634 15.496 ( 14.750 7.837 -25.879) 30.801 16.017 ( 0.776 0.280 13.934) 13.958 18.788 ( -10.581 0.483 23.204) 25.508 19.493 ( -17.559 -0.577 8.353) 19.453 20.545 ( -3.922 -0.732 9.781) 10.564 20.685 ( 2.734 4.601 0.787) 5.410 21.518 ( 6.657 -7.308 -9.733) 13.873 21.627 ( -1.388 -7.993 -11.622) 14.174 22.507 ( 8.201 1.584 7.254) 11.063 23.037 ( -7.796 -2.027 6.149) 10.134 23.663 ( 6.157 -5.770 8.807) 12.197 24.824 ( -25.662 0.702 2.802) 25.824 31.177 ( 1.830 -3.354 -0.877) 3.920 31.847 ( 27.039 7.374 -11.915) 30.454 ======================= Grid point 214 (67/186) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 6.728 -3.528 11.838) 14.066 3.644 ( 12.422 -17.599 8.946) 23.325 4.184 ( -2.868 -4.806 -2.686) 6.207 4.892 ( -4.028 -7.002 -5.449) 9.744 5.819 ( -1.184 1.943 2.786) 3.597 6.075 ( 1.432 6.061 -7.521) 9.764 6.499 ( 23.811 -15.252 5.842) 28.875 7.373 ( 2.266 -0.489 3.083) 3.857 8.300 ( 8.984 -22.736 4.806) 24.915 8.609 ( 3.312 5.803 6.811) 9.541 9.244 ( 2.389 -17.955 -4.629) 18.695 10.046 ( -12.657 15.129 -1.658) 19.795 10.434 ( -2.284 -0.662 -17.053) 17.218 10.672 ( -3.432 5.134 -15.066) 16.283 11.695 ( -0.669 -4.962 0.471) 5.029 13.694 ( -10.236 22.090 -7.909) 25.599 15.548 ( 15.266 3.264 -19.440) 24.932 15.947 ( -6.749 3.639 2.166) 7.967 18.690 ( -7.273 -0.325 25.506) 26.525 19.374 ( -8.883 -1.047 13.428) 16.134 20.539 ( -2.899 -2.195 8.279) 9.042 20.631 ( 2.193 3.913 2.927) 5.356 21.675 ( 3.181 -4.131 -12.266) 13.328 21.727 ( -0.837 -4.255 -13.386) 14.071 22.602 ( 11.147 -0.572 9.839) 14.879 22.947 ( -10.567 0.807 7.748) 13.128 23.845 ( 7.421 -5.408 7.010) 11.552 24.582 ( -15.731 2.173 1.809) 15.983 31.243 ( 0.908 -2.229 -0.812) 2.540 31.947 ( 13.507 4.325 -10.155) 17.443 ======================= Grid point 215 (68/186) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 0.000 0.000 11.784) 11.784 3.900 ( -0.000 0.000 -2.364) 2.364 4.229 ( -0.000 -0.000 -0.714) 0.714 4.869 ( 0.000 0.000 -4.192) 4.192 5.828 ( -0.000 -0.000 -2.913) 2.913 5.983 ( 0.000 0.000 -5.150) 5.150 6.935 ( -0.000 0.000 7.885) 7.885 7.235 ( 0.000 -0.000 10.069) 10.069 8.553 ( 0.000 0.000 8.350) 8.350 8.653 ( -0.000 -0.000 1.445) 1.445 9.563 ( -0.000 -0.000 -7.572) 7.572 9.633 ( 0.000 0.000 -0.676) 0.676 10.510 ( -0.000 0.000 0.082) 0.082 10.537 ( 0.000 -0.000 -24.961) 24.961 11.762 ( 0.000 -0.000 -3.978) 3.978 13.413 ( 0.000 0.000 -10.717) 10.717 15.641 ( -0.000 -0.000 -11.187) 11.187 15.829 ( 0.000 -0.000 -7.847) 7.847 18.656 ( 0.000 -0.000 27.011) 27.011 19.339 ( -0.000 0.000 15.260) 15.260 20.550 ( -0.000 -0.000 6.838) 6.838 20.601 ( 0.000 0.000 4.426) 4.426 21.729 ( 0.000 0.000 -12.972) 12.972 21.761 ( -0.000 -0.000 -14.223) 14.223 22.703 ( 0.000 -0.000 10.874) 10.874 22.847 ( -0.000 -0.000 7.870) 7.870 23.950 ( 0.000 -0.000 6.914) 6.914 24.465 ( -0.000 -0.000 1.301) 1.301 31.269 ( 0.000 -0.000 -0.782) 0.782 31.976 ( 0.000 -0.000 -9.567) 9.567 ======================= Grid point 222 (69/186) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 50.854 -0.000 14.698) 52.936 2.034 ( 13.168 -0.000 39.837) 41.957 3.215 ( 28.946 -0.000 53.219) 60.582 4.165 ( -32.581 0.000 -2.649) 32.689 4.914 ( 14.415 -0.000 -2.959) 14.716 5.627 ( 7.017 -0.000 26.605) 27.514 6.039 ( 34.363 -0.000 -14.289) 37.215 6.950 ( 1.550 -0.000 -9.166) 9.296 8.252 ( -14.619 0.000 -23.025) 27.274 8.518 ( -9.437 0.000 -9.924) 13.695 9.023 ( 6.641 -0.000 -46.494) 46.966 9.382 ( -16.938 0.000 12.929) 21.309 10.114 ( 5.873 -0.000 14.971) 16.082 11.352 ( -17.573 0.000 -0.668) 17.586 12.488 ( 21.101 -0.000 -3.828) 21.446 15.079 ( -9.434 0.000 10.086) 13.811 15.596 ( 10.949 -0.000 -28.727) 30.743 16.069 ( -3.513 0.000 18.022) 18.361 18.907 ( -10.435 0.000 20.211) 22.746 19.767 ( -29.612 0.000 -2.369) 29.707 20.785 ( -1.260 0.000 1.810) 2.205 20.876 ( 9.984 -0.000 -2.979) 10.419 21.058 ( -4.647 0.000 0.837) 4.722 21.096 ( 5.792 -0.000 -5.364) 7.894 22.642 ( -9.671 0.000 9.631) 13.649 22.750 ( 2.675 -0.000 0.610) 2.744 23.513 ( -0.588 0.000 16.934) 16.945 25.089 ( -42.611 0.000 13.682) 44.753 31.025 ( 0.775 -0.000 0.009) 0.775 31.902 ( 58.679 -0.000 -31.877) 66.778 ======================= Grid point 223 (70/186) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 24.075 -8.158 27.611) 37.530 2.585 ( 29.150 -12.373 27.073) 41.662 3.634 ( 22.306 -5.249 25.648) 34.393 4.047 ( -2.627 -15.395 6.762) 17.019 5.113 ( 12.456 -6.527 3.776) 14.561 5.767 ( 17.599 -1.832 19.067) 26.012 6.404 ( 9.022 -9.602 -9.933) 16.500 7.061 ( 18.218 -3.106 -9.102) 20.600 7.901 ( -10.324 11.802 -13.629) 20.775 8.255 ( -0.738 15.235 -14.114) 20.782 9.254 ( -10.596 -10.016 -4.057) 15.135 9.484 ( -5.813 -25.358 -29.966) 39.683 10.153 ( 1.613 0.632 9.091) 9.255 11.179 ( -15.983 -0.453 -2.357) 16.162 12.452 ( 11.498 21.357 0.846) 24.270 14.938 ( -10.642 6.916 -0.368) 12.698 15.694 ( 9.951 1.757 -22.699) 24.846 16.009 ( -2.021 0.718 19.995) 20.110 18.784 ( -13.926 -0.081 18.027) 22.780 19.459 ( -28.342 -0.902 0.631) 28.364 20.644 ( -3.421 7.356 9.120) 12.206 20.898 ( 6.904 6.804 -3.900) 10.448 21.137 ( -3.787 -12.256 -1.586) 12.926 21.294 ( 6.126 -9.906 -9.253) 14.875 22.516 ( -10.325 -1.408 15.189) 18.420 22.840 ( -1.752 -6.271 5.323) 8.410 23.521 ( 0.659 -1.371 15.139) 15.215 24.802 ( -17.557 -0.779 7.554) 19.129 31.053 ( 0.715 -2.064 0.554) 2.253 32.315 ( 43.957 12.671 -31.838) 55.736 ======================= Grid point 224 (71/186) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 26.477 -8.030 18.778) 33.439 3.061 ( 22.592 -9.573 30.662) 39.271 3.851 ( -0.467 -15.732 -2.394) 15.920 4.493 ( 23.392 -9.378 9.383) 26.892 5.412 ( 4.089 -16.779 16.896) 24.161 5.999 ( 13.502 -1.467 2.378) 13.788 6.522 ( 4.101 -1.105 -1.515) 4.509 7.314 ( 10.911 -2.036 -16.126) 19.576 7.844 ( 17.888 0.526 -13.298) 22.295 8.131 ( -3.246 -8.895 -1.179) 9.542 9.203 ( -12.027 -2.052 12.645) 17.571 9.936 ( 1.267 -18.948 -33.428) 38.445 10.106 ( -9.019 -3.118 -8.778) 12.965 11.050 ( -9.602 0.578 -6.375) 11.540 12.065 ( 4.594 26.837 10.197) 29.074 14.549 ( -16.140 20.054 -4.315) 26.101 15.715 ( 6.109 4.111 -23.395) 24.526 16.034 ( 2.290 -0.604 16.666) 16.833 18.623 ( -18.179 -1.244 17.419) 25.208 19.272 ( -16.779 -4.572 6.849) 18.691 20.519 ( -3.510 2.411 11.764) 12.511 20.829 ( 4.874 6.913 -1.793) 8.646 21.339 ( -3.216 -12.886 -6.052) 14.595 21.517 ( 5.328 -7.929 -12.294) 15.570 22.504 ( -5.847 -6.125 14.796) 17.048 22.897 ( -6.432 -3.850 8.658) 11.452 23.600 ( 3.380 -5.462 11.726) 13.370 24.676 ( -4.619 3.511 1.090) 5.904 31.106 ( -0.450 -3.348 0.880) 3.491 32.409 ( 30.033 17.309 -22.638) 41.401 ======================= Grid point 225 (72/186) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 26.088 5.476 10.505) 28.651 3.476 ( 16.226 -17.043 24.438) 33.926 4.164 ( 10.229 -8.303 -7.169) 14.999 4.785 ( 13.496 -3.253 0.024) 13.882 5.686 ( -7.591 -8.563 13.872) 17.982 6.075 ( -2.057 -9.705 -3.843) 10.639 6.602 ( 14.877 5.586 1.866) 16.001 7.405 ( 4.065 2.628 -8.555) 9.829 8.032 ( -0.853 -15.276 -0.898) 15.326 8.477 ( 8.510 -16.481 -3.660) 18.906 9.199 ( 7.537 -0.822 8.404) 11.319 9.879 ( -17.881 -1.851 7.837) 19.610 10.372 ( 3.272 -13.406 -47.266) 49.239 10.906 ( 0.207 11.357 -8.133) 13.971 11.719 ( 1.887 11.364 12.127) 16.726 13.960 ( -18.116 22.889 -4.246) 29.498 15.699 ( 2.396 2.893 -18.986) 19.354 15.991 ( -1.224 5.944 2.621) 6.610 18.511 ( -14.619 -6.134 22.363) 27.412 19.258 ( -4.338 -4.984 11.832) 13.553 20.476 ( -2.741 -0.922 10.726) 11.109 20.757 ( 4.034 6.015 0.333) 7.251 21.513 ( -3.819 -10.019 -9.145) 14.092 21.688 ( 4.370 -5.262 -14.442) 15.980 22.596 ( -2.329 -7.632 13.773) 15.918 22.847 ( -8.791 -0.290 10.119) 13.407 23.771 ( 4.436 -7.764 8.674) 12.458 24.567 ( 1.231 6.145 -0.799) 6.318 31.156 ( -2.729 -3.797 0.959) 4.774 32.347 ( 19.316 17.016 -15.912) 30.262 ======================= Grid point 226 (73/186) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 22.334 11.935 11.179) 27.681 3.926 ( 13.495 -9.436 6.760) 17.800 4.316 ( 13.948 2.422 -3.676) 14.626 4.887 ( 4.891 0.910 -2.123) 5.409 5.620 ( -12.693 -1.946 -2.834) 13.150 6.245 ( 9.798 5.423 -2.687) 11.517 6.743 ( -4.163 -17.746 13.577) 22.729 7.182 ( -16.257 9.887 2.086) 19.141 8.353 ( -4.209 -11.851 -2.096) 12.750 8.762 ( 6.877 -8.936 -0.876) 11.310 9.239 ( -4.086 -1.688 1.857) 4.796 9.868 ( 3.013 -0.376 2.959) 4.240 10.488 ( 4.677 1.690 -31.087) 31.483 10.748 ( 10.082 8.170 -8.006) 15.247 11.714 ( 3.458 -4.510 4.250) 7.097 13.453 ( -14.138 11.376 -5.685) 19.016 15.584 ( -13.596 4.817 -10.480) 17.830 15.906 ( 5.691 2.797 -11.450) 13.088 18.544 ( -5.951 -8.457 27.679) 29.548 19.340 ( 4.708 -3.489 13.401) 14.626 20.485 ( -2.140 -2.599 8.529) 9.169 20.698 ( 3.949 5.035 2.367) 6.822 21.616 ( -4.760 -6.147 -11.011) 13.479 21.792 ( 3.368 -1.797 -15.105) 15.580 22.622 ( -11.366 -0.395 13.071) 17.326 22.840 ( 1.939 -5.582 9.234) 10.963 23.905 ( 0.054 -2.449 6.750) 7.181 24.530 ( 8.967 1.740 -0.436) 9.144 31.180 ( -5.698 -3.550 0.778) 6.759 32.202 ( 9.954 15.501 -11.922) 21.944 ======================= Grid point 227 (74/186) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 18.894 16.910 12.644) 28.334 3.889 ( -1.632 17.113 0.857) 17.212 4.411 ( 15.155 7.304 -1.209) 16.867 5.020 ( 12.478 -3.444 -3.206) 13.336 5.540 ( -17.036 -8.863 -0.445) 19.209 6.153 ( 0.203 6.941 -1.480) 7.100 6.557 ( -17.575 16.997 -1.044) 24.472 7.221 ( -10.305 -13.028 7.095) 18.063 8.303 ( -16.761 -8.411 5.663) 19.590 8.712 ( 2.260 23.393 9.622) 25.395 9.523 ( -1.248 -27.676 -5.702) 28.285 9.704 ( 3.703 16.857 -7.565) 18.845 10.590 ( 9.559 -0.915 -17.537) 19.994 10.769 ( 14.806 4.941 -16.469) 22.690 11.796 ( 4.026 2.606 4.978) 6.913 13.390 ( -2.470 -15.810 -2.742) 16.235 15.337 ( -18.621 1.531 -19.616) 27.090 15.964 ( 4.499 -1.414 -3.759) 6.031 18.666 ( 0.922 -7.306 29.062) 29.981 19.473 ( 11.050 -2.230 11.873) 16.371 20.519 ( -1.769 -3.172 6.282) 7.257 20.660 ( 4.461 3.734 4.075) 7.103 21.629 ( -6.549 -1.374 -11.401) 13.220 21.822 ( 2.753 1.970 -14.021) 14.423 22.477 ( -12.656 0.731 11.786) 17.309 22.992 ( 5.290 -5.314 7.049) 10.291 23.849 ( -4.754 4.554 6.138) 9.001 24.705 ( 17.200 -4.958 -0.206) 17.901 31.164 ( -8.786 -2.830 0.395) 9.239 31.995 ( 1.350 13.735 -9.355) 16.673 ======================= Grid point 228 (75/186) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 11.321 23.754 15.134) 30.356 3.443 ( -7.384 24.315 12.723) 28.418 4.335 ( 6.490 13.452 0.770) 14.956 4.949 ( -3.196 13.047 1.342) 13.499 5.691 ( -2.233 -1.473 -0.520) 2.725 6.032 ( -12.513 -9.819 -3.573) 16.302 6.219 ( 7.031 10.666 -4.950) 13.701 7.030 ( -28.783 4.310 -9.950) 30.758 8.137 ( -3.589 32.559 11.831) 34.828 8.598 ( -0.338 -24.875 16.205) 29.690 9.211 ( -0.518 28.624 -8.801) 29.951 10.144 ( -0.385 -28.158 -14.779) 31.803 10.645 ( 12.790 7.253 -10.378) 17.997 10.807 ( 6.859 2.596 -22.403) 23.573 11.731 ( 2.610 5.917 8.409) 10.608 13.891 ( 8.626 -31.495 5.284) 33.080 15.191 ( -16.499 -5.595 -31.345) 35.861 16.006 ( -0.462 -0.313 7.724) 7.744 18.810 ( 4.060 -5.345 28.186) 28.975 19.644 ( 13.875 -2.312 8.106) 16.234 20.558 ( -1.090 -2.741 4.794) 5.629 20.659 ( 4.867 1.739 4.423) 6.802 21.525 ( -9.005 3.795 -8.736) 13.108 21.779 ( 2.228 5.566 -12.345) 13.724 22.372 ( -9.035 -1.914 8.127) 12.302 23.112 ( 4.625 -1.797 4.492) 6.693 23.696 ( -4.940 5.769 7.558) 10.715 25.022 ( 21.762 -7.136 -1.550) 22.955 31.103 ( -11.424 -1.985 0.023) 11.595 31.738 ( -5.479 12.127 -7.281) 15.169 ======================= Grid point 229 (76/186) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -0.869 30.197 19.845) 36.145 2.921 ( -7.233 23.387 27.130) 36.542 4.071 ( -0.290 19.310 9.232) 21.406 4.641 ( -8.538 12.180 7.746) 16.770 5.499 ( 16.550 18.090 -4.959) 25.015 5.931 ( -12.492 10.904 -1.937) 16.695 6.335 ( -3.638 -0.521 0.168) 3.679 6.867 ( -12.829 -22.322 -23.326) 34.742 7.522 ( -3.243 28.416 3.772) 28.848 8.639 ( 3.459 25.701 -5.254) 26.459 9.129 ( -0.917 -23.609 16.976) 29.093 10.277 ( -0.549 11.977 -46.461) 47.983 10.610 ( 8.166 10.347 -4.290) 13.862 11.042 ( 3.321 -24.284 2.156) 24.605 11.677 ( -0.458 1.507 8.140) 8.291 14.568 ( 10.801 -29.362 11.935) 33.485 15.185 ( -12.452 -9.405 -41.743) 44.564 15.972 ( -2.110 1.711 17.155) 17.369 18.930 ( 3.371 -3.416 26.689) 27.117 19.831 ( 10.838 -3.847 4.858) 12.484 20.597 ( -0.052 -2.242 3.462) 4.124 20.689 ( 3.479 0.183 3.378) 4.853 21.333 ( -8.053 6.664 -5.251) 11.698 21.667 ( 1.324 8.734 -10.783) 13.940 22.362 ( -4.249 -4.452 3.403) 7.032 23.136 ( 1.953 3.310 1.306) 4.059 23.568 ( -2.339 3.616 11.068) 11.876 25.389 ( 20.552 -8.583 -4.188) 22.662 31.008 ( -11.979 -1.218 0.134) 12.042 31.457 ( -7.083 11.106 -4.978) 14.082 ======================= Grid point 230 (77/186) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.000 28.840 24.936) 38.125 2.500 ( 0.000 18.898 38.101) 42.530 3.597 ( 0.000 30.504 27.444) 41.032 4.470 ( 0.000 1.121 4.947) 5.072 5.353 ( 0.000 18.230 5.069) 18.922 5.578 ( 0.000 9.827 -22.900) 24.919 6.092 ( 0.000 17.740 20.248) 26.920 7.118 ( 0.000 13.034 -7.809) 15.194 7.391 ( -0.000 -33.144 -33.469) 47.103 8.342 ( 0.000 6.415 2.801) 7.000 9.437 ( -0.000 -5.681 -2.805) 6.336 9.998 ( 0.000 12.084 -28.882) 31.308 10.396 ( 0.000 18.426 -3.668) 18.787 11.558 ( -0.000 -26.418 5.842) 27.056 11.642 ( 0.000 0.640 3.426) 3.485 15.074 ( -0.000 -16.625 26.170) 31.004 15.264 ( -0.000 -7.962 -55.191) 55.762 15.951 ( -0.000 -1.955 20.722) 20.814 18.996 ( -0.000 -1.799 24.793) 24.858 19.984 ( -0.000 -6.029 2.786) 6.642 20.637 ( -0.000 -2.029 1.043) 2.282 20.706 ( -0.000 -0.427 3.922) 3.945 21.165 ( 0.000 6.367 -4.479) 7.785 21.492 ( 0.000 11.305 -9.420) 14.715 22.439 ( -0.000 -6.232 0.279) 6.238 23.038 ( 0.000 7.826 -1.135) 7.908 23.521 ( 0.000 0.745 14.722) 14.741 25.685 ( -0.000 -9.024 -7.239) 11.569 30.941 ( -0.000 -0.668 0.750) 1.005 31.227 ( 0.000 9.078 -2.672) 9.463 ======================= Grid point 233 (78/186) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 9.605 -0.000 35.579) 36.853 2.811 ( 29.239 -0.000 27.886) 40.404 3.751 ( -3.638 0.000 0.895) 3.747 4.153 ( 54.257 -0.000 28.794) 61.424 5.132 ( 5.424 -0.000 9.396) 10.849 6.057 ( 34.418 -0.000 12.578) 36.644 6.314 ( -5.753 0.000 -13.144) 14.348 7.280 ( 26.203 -0.000 -6.634) 27.029 7.786 ( -21.499 0.000 5.600) 22.216 8.524 ( 4.659 -0.000 -34.713) 35.024 8.959 ( -20.605 0.000 12.375) 24.036 9.227 ( 11.167 -0.000 -43.390) 44.804 10.200 ( 1.914 -0.000 8.684) 8.892 10.987 ( -18.431 0.000 -3.366) 18.736 12.739 ( 1.904 -0.000 -4.323) 4.724 14.918 ( -5.620 0.000 8.766) 10.413 15.811 ( 9.422 -0.000 -24.665) 26.403 15.942 ( -9.062 0.000 22.056) 23.845 18.639 ( -14.493 0.000 14.721) 20.658 19.136 ( -29.118 0.000 -0.836) 29.130 20.758 ( -1.303 0.000 2.226) 2.579 20.854 ( -8.364 0.000 10.638) 13.532 21.098 ( 5.924 -0.000 -8.404) 10.283 21.228 ( 6.386 -0.000 -6.312) 8.979 22.303 ( -18.562 0.000 27.796) 33.424 22.802 ( 1.494 -0.000 6.446) 6.617 23.519 ( 1.649 -0.000 14.696) 14.788 24.768 ( 6.714 -0.000 -1.401) 6.858 31.045 ( 1.042 -0.000 1.729) 2.018 32.826 ( 29.916 -0.000 -37.119) 47.673 ======================= Grid point 234 (79/186) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( 8.166 -21.162 32.160) 39.355 3.188 ( 27.951 -9.668 28.939) 41.379 3.749 ( 11.990 3.659 5.189) 13.568 4.758 ( 42.830 -6.929 19.350) 47.506 5.222 ( 3.568 -3.393 10.437) 11.540 6.130 ( -3.061 6.168 -10.196) 12.303 6.545 ( 23.759 -9.273 2.214) 25.600 7.395 ( 0.824 5.213 -5.214) 7.419 7.810 ( 10.428 -13.643 5.265) 17.960 8.311 ( 1.671 18.788 -24.831) 31.183 8.934 ( -7.948 -11.131 7.524) 15.611 9.589 ( 9.015 -21.586 -45.245) 50.935 10.115 ( -5.667 8.521 4.238) 11.076 10.863 ( -14.144 -6.219 -5.729) 16.479 12.522 ( -5.250 18.756 1.354) 19.524 14.716 ( -11.051 15.626 8.923) 21.117 15.799 ( -0.905 2.309 -12.784) 13.023 15.997 ( 2.318 -6.524 8.272) 10.787 18.434 ( -19.148 3.502 11.826) 22.776 18.970 ( -17.188 -9.446 3.167) 19.866 20.569 ( -3.598 7.332 11.738) 14.300 21.007 ( 0.446 -3.844 -2.413) 4.560 21.050 ( -0.264 -3.209 -1.997) 3.789 21.416 ( 4.948 -8.942 -10.784) 14.857 22.214 ( -14.641 -8.770 25.545) 30.721 22.817 ( -1.798 -0.990 10.585) 10.782 23.567 ( 4.154 -2.561 12.394) 13.320 24.835 ( 13.685 5.919 -6.954) 16.452 31.066 ( 0.472 -1.171 2.524) 2.822 32.954 ( 19.597 12.182 -29.694) 37.605 ======================= Grid point 235 (80/186) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( 14.214 -22.837 27.440) 38.425 3.607 ( 31.241 3.703 20.416) 37.504 3.972 ( 14.139 -17.280 4.229) 22.725 5.165 ( 33.977 12.166 -0.687) 36.096 5.343 ( -6.607 -17.525 27.569) 33.330 5.951 ( -9.506 4.056 -13.386) 16.911 6.843 ( 11.124 3.043 3.859) 12.161 7.389 ( -2.818 -11.195 -15.192) 19.081 7.863 ( -11.644 12.213 -8.010) 18.679 8.384 ( 23.751 -13.449 -0.966) 27.312 9.173 ( 12.322 -12.186 7.433) 18.856 9.791 ( -15.335 9.515 6.006) 19.020 10.090 ( 7.310 -20.486 -49.262) 53.851 10.894 ( -5.958 -6.472 -11.238) 14.271 12.081 ( -3.503 21.591 9.831) 23.981 14.164 ( -21.106 24.120 10.428) 33.704 15.755 ( -0.361 3.194 -17.439) 17.733 16.078 ( 1.418 1.519 1.022) 2.316 18.226 ( -18.044 -4.579 17.351) 25.448 19.070 ( -4.003 -11.788 7.658) 14.616 20.457 ( -2.394 1.978 12.456) 12.837 20.927 ( 4.503 7.678 -3.056) 9.411 21.257 ( -3.991 -13.796 -4.883) 15.169 21.610 ( 3.504 -7.592 -13.586) 15.953 22.291 ( -11.865 -13.923 21.247) 28.037 22.781 ( -5.383 0.909 13.674) 14.724 23.704 ( 6.522 -6.132 9.236) 12.862 24.814 ( 12.953 11.302 -7.414) 18.721 31.088 ( -1.176 -1.443 2.933) 3.474 32.848 ( 13.666 17.377 -21.467) 30.815 ======================= Grid point 236 (81/186) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 29.464 1.287 10.490) 31.302 3.835 ( 21.588 -8.202 23.934) 33.259 4.413 ( 10.982 -8.962 -2.820) 14.452 5.133 ( 14.467 13.858 -0.735) 20.047 5.532 ( -5.021 -3.078 4.914) 7.670 6.001 ( -1.223 -21.535 11.632) 24.506 6.633 ( -16.064 12.057 5.420) 20.804 7.341 ( -5.227 19.487 -15.315) 25.330 7.912 ( -5.831 -30.231 -9.029) 32.085 8.668 ( 0.632 1.195 -6.957) 7.087 9.363 ( 3.299 8.001 7.213) 11.266 9.782 ( 16.646 -16.544 9.171) 25.197 10.474 ( 5.869 -11.526 -46.658) 48.418 10.899 ( -2.594 1.217 -13.838) 14.131 11.804 ( 7.318 7.773 15.586) 18.892 13.510 ( -25.771 18.958 9.221) 33.296 15.612 ( -6.438 10.201 -11.158) 16.431 16.008 ( 0.939 4.369 -15.880) 16.497 18.259 ( -9.158 -13.403 27.222) 31.695 19.272 ( 3.958 -9.831 9.640) 14.326 20.432 ( -1.573 -1.026 10.798) 10.960 20.845 ( 4.290 6.366 -1.102) 7.755 21.430 ( -3.909 -9.478 -8.141) 13.091 21.758 ( 2.533 -5.168 -15.350) 16.394 22.422 ( -11.001 -10.758 17.469) 23.279 22.714 ( -5.017 -2.346 14.493) 15.515 23.887 ( 6.558 -4.956 5.957) 10.152 24.729 ( 10.595 9.720 -5.024) 15.231 31.088 ( -3.459 -1.093 3.012) 4.716 32.630 ( 8.778 19.131 -15.890) 26.373 ======================= Grid point 237 (82/186) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.718 ( 36.394 21.372 10.773) 43.558 4.163 ( 9.010 6.139 2.774) 11.250 4.579 ( 9.730 -9.455 4.688) 14.355 5.007 ( -4.022 4.649 2.244) 6.544 5.458 ( 1.017 9.014 -0.570) 9.089 6.183 ( -17.469 6.913 3.820) 19.172 6.566 ( -3.676 -28.223 13.719) 31.595 6.931 ( -5.676 16.646 -10.561) 20.514 8.085 ( -19.199 3.525 -7.062) 20.758 8.810 ( -0.331 -29.082 -6.270) 29.752 9.202 ( 1.051 13.788 8.627) 16.298 10.096 ( 12.657 11.087 -3.110) 17.111 10.616 ( 8.138 -4.971 -33.030) 34.379 10.929 ( 3.780 -3.159 -19.702) 20.308 11.920 ( 18.261 0.352 20.672) 27.585 13.071 ( -23.321 -3.783 6.295) 24.451 15.297 ( -10.848 11.978 -17.620) 23.908 15.984 ( 1.293 0.305 -13.254) 13.320 18.462 ( -2.175 -14.075 31.527) 34.595 19.489 ( 7.609 -7.288 9.480) 14.173 20.451 ( -1.116 -2.447 8.492) 8.907 20.787 ( 4.367 4.885 0.418) 6.565 21.514 ( -4.775 -4.600 -8.631) 10.883 21.844 ( 1.758 -1.903 -15.364) 15.581 22.383 ( -9.547 0.836 15.173) 17.946 22.833 ( -2.166 -12.309 11.377) 16.901 23.947 ( 3.484 5.048 3.458) 7.041 24.760 ( 10.103 -2.617 -2.393) 10.707 31.055 ( -5.470 -0.373 2.872) 6.189 32.344 ( 4.117 19.591 -12.117) 23.400 ======================= Grid point 238 (83/186) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( 27.105 31.724 14.264) 44.098 3.847 ( -2.428 25.353 4.083) 25.794 4.593 ( -5.954 12.076 -1.868) 13.593 5.102 ( 0.167 2.798 7.998) 8.475 5.343 ( -6.540 -20.063 3.575) 21.403 6.030 ( 8.091 5.982 -2.092) 10.277 6.548 ( 4.548 17.368 -12.403) 21.821 6.794 ( -25.489 -0.412 -6.758) 26.373 8.044 ( -6.629 -23.633 14.139) 28.326 8.743 ( 0.786 30.959 12.642) 33.450 9.506 ( -0.516 -37.389 -8.053) 38.250 9.760 ( 1.533 27.419 -10.446) 29.381 10.796 ( 7.581 -1.307 -22.943) 24.199 10.972 ( 3.580 3.806 -29.406) 29.867 11.928 ( 6.401 11.812 20.162) 24.228 13.316 ( -3.520 -34.580 13.899) 37.434 15.039 ( -8.227 4.309 -31.109) 32.465 15.996 ( -0.128 -0.430 -1.882) 1.935 18.686 ( 0.689 -10.853 31.646) 33.462 19.680 ( 6.445 -5.477 7.646) 11.402 20.492 ( -0.708 -2.990 6.129) 6.856 20.757 ( 3.787 3.197 1.323) 5.129 21.494 ( -5.026 1.033 -6.284) 8.113 21.861 ( 1.031 1.673 -14.034) 14.171 22.284 ( -5.069 0.552 11.576) 12.650 23.030 ( -0.156 -9.688 6.894) 11.891 23.815 ( 0.245 9.768 4.639) 10.816 25.000 ( 8.682 -11.292 -3.108) 14.579 30.994 ( -5.491 0.497 2.669) 6.126 32.016 ( 0.574 18.925 -9.109) 21.011 ======================= Grid point 239 (84/186) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 0.000 38.098 19.654) 42.869 3.339 ( 0.000 26.269 13.037) 29.326 4.342 ( 0.000 11.810 0.671) 11.829 4.854 ( 0.000 15.843 11.490) 19.570 5.785 ( -0.000 -16.979 -8.790) 19.119 5.955 ( 0.000 12.257 2.565) 12.522 6.424 ( 0.000 7.001 -5.297) 8.779 6.457 ( -0.000 -1.039 -22.187) 22.211 8.115 ( 0.000 36.139 12.287) 38.170 8.587 ( -0.000 -32.914 20.350) 38.697 9.210 ( 0.000 32.373 -10.408) 34.005 10.133 ( -0.000 -28.069 -17.227) 32.933 10.795 ( 0.000 5.256 -11.666) 12.796 10.879 ( 0.000 5.403 -27.875) 28.394 11.769 ( 0.000 7.555 14.061) 15.962 13.998 ( -0.000 -37.911 20.368) 43.036 14.993 ( -0.000 -4.049 -43.849) 44.035 15.989 ( 0.000 0.980 9.176) 9.228 18.852 ( -0.000 -6.913 29.849) 30.639 19.807 ( -0.000 -4.563 5.902) 7.460 20.543 ( -0.000 -3.014 3.992) 5.002 20.736 ( 0.000 1.799 2.056) 2.732 21.400 ( 0.000 5.341 -3.798) 6.554 21.803 ( 0.000 5.400 -12.282) 13.417 22.275 ( -0.000 -2.376 6.572) 6.989 23.151 ( -0.000 -3.141 3.068) 4.391 23.652 ( 0.000 7.324 8.041) 10.876 25.281 ( -0.000 -12.954 -5.134) 13.934 30.946 ( 0.000 0.801 2.290) 2.426 31.692 ( 0.000 16.586 -6.458) 17.799 ======================= Grid point 244 (85/186) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 1.752 -0.000 32.886) 32.932 3.366 ( 25.943 -0.000 39.852) 47.552 4.021 ( 25.573 -0.000 8.648) 26.996 4.909 ( 6.963 -0.000 30.728) 31.507 5.480 ( 38.891 -0.000 -5.030) 39.215 6.100 ( -11.265 0.000 -14.237) 18.154 6.654 ( 9.324 -0.000 -7.314) 11.850 7.568 ( -6.571 0.000 7.621) 10.062 7.675 ( 19.907 -0.000 13.839) 24.244 8.660 ( 8.985 -0.000 -33.080) 34.279 8.688 ( 0.485 -0.000 -3.877) 3.907 9.487 ( 13.017 -0.000 -36.674) 38.916 10.184 ( -3.240 0.000 1.569) 3.600 10.607 ( -17.096 0.000 -5.989) 18.115 12.548 ( -20.573 0.000 -3.649) 20.894 14.859 ( -0.186 0.000 17.450) 17.451 15.710 ( -12.397 0.000 28.892) 31.439 15.970 ( 5.848 -0.000 -29.580) 30.153 18.351 ( -12.666 0.000 9.740) 15.978 18.644 ( -17.814 0.000 -0.847) 17.834 20.690 ( -6.647 0.000 15.952) 17.281 20.734 ( -1.040 0.000 2.298) 2.523 21.196 ( 3.645 -0.000 -10.054) 10.695 21.344 ( 4.704 -0.000 -8.461) 9.681 22.002 ( -10.402 0.000 25.145) 27.212 22.794 ( -2.117 0.000 14.002) 14.161 23.589 ( 4.760 -0.000 11.836) 12.757 25.069 ( 17.715 -0.000 -12.291) 21.561 31.064 ( 0.786 -0.000 3.699) 3.781 33.216 ( 10.465 -0.000 -28.606) 30.460 ======================= Grid point 245 (86/186) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 4.363 -28.476 31.295) 42.535 3.730 ( 24.801 -11.396 38.278) 47.012 4.232 ( 30.152 7.555 9.965) 32.643 5.006 ( -7.142 -9.670 27.590) 30.095 5.755 ( 26.207 13.056 -6.387) 29.967 5.987 ( 4.697 2.912 -13.635) 14.713 6.778 ( -5.147 -12.672 -11.031) 17.571 7.247 ( -19.531 10.228 11.122) 24.694 8.039 ( 9.926 3.876 -10.632) 15.052 8.508 ( 23.873 2.198 -6.616) 24.870 9.086 ( 17.139 -15.582 -6.137) 23.962 9.709 ( -2.307 -6.279 -28.503) 29.278 10.001 ( 0.637 6.013 -10.901) 12.466 10.635 ( -6.669 -13.172 -9.621) 17.622 12.212 ( -25.188 7.552 -1.180) 26.322 14.499 ( -9.101 30.717 26.187) 41.378 15.748 ( -1.741 -7.322 7.140) 10.374 16.052 ( 1.624 -3.722 -17.439) 17.905 18.069 ( -14.755 7.976 9.165) 19.113 18.742 ( -6.186 -18.113 3.109) 19.391 20.505 ( -2.454 6.141 13.496) 15.029 20.941 ( -3.028 -15.316 2.137) 15.758 21.121 ( 3.405 8.037 -7.210) 11.321 21.496 ( 2.988 -8.245 -12.274) 15.085 21.980 ( -8.100 -7.447 22.537) 25.079 22.756 ( -3.595 1.188 16.926) 17.344 23.674 ( 5.408 -3.839 10.246) 12.206 25.160 ( 15.032 8.852 -13.300) 21.936 31.072 ( 0.125 -0.067 4.360) 4.362 33.204 ( 6.485 9.865 -23.549) 26.343 ======================= Grid point 246 (87/186) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 8.268 -32.623 29.661) 44.860 4.241 ( 25.784 -10.543 19.608) 34.065 4.412 ( 27.726 3.468 8.060) 29.081 5.092 ( -15.088 -15.558 29.096) 36.280 5.582 ( 3.137 16.636 -7.928) 18.693 6.075 ( 21.260 9.161 -4.199) 23.527 6.633 ( -27.063 12.524 7.355) 30.714 7.253 ( -7.258 -29.607 -11.365) 32.533 7.748 ( 1.512 23.294 -24.878) 34.115 8.785 ( 7.034 5.496 -8.187) 12.112 9.480 ( -2.228 1.344 -0.886) 2.749 9.676 ( 24.932 -16.833 11.661) 32.264 10.248 ( 6.071 -16.764 -40.972) 44.683 10.802 ( -2.149 -6.365 -14.893) 16.338 11.891 ( -15.018 0.397 2.570) 15.242 13.748 ( -16.457 34.663 29.888) 48.638 15.772 ( 2.508 6.682 -7.303) 10.211 16.068 ( -2.320 2.345 -18.203) 18.500 17.935 ( -9.682 -8.732 21.186) 24.876 19.049 ( 0.702 -17.458 5.694) 18.377 20.421 ( -1.165 1.547 12.677) 12.824 21.008 ( 3.191 7.216 -4.938) 9.308 21.188 ( -2.560 -13.583 -3.785) 14.331 21.665 ( 1.950 -7.376 -14.766) 16.620 22.086 ( -7.344 -12.590 21.196) 25.724 22.679 ( -3.938 2.456 18.125) 18.710 23.833 ( 5.081 -7.160 7.660) 11.652 25.070 ( 9.987 14.372 -11.003) 20.673 31.064 ( -1.012 0.551 4.570) 4.713 33.023 ( 4.491 15.825 -18.800) 24.980 ======================= Grid point 247 (88/186) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.012 ( 10.108 -28.886 24.306) 39.082 4.449 ( 20.615 11.988 2.830) 24.015 4.570 ( 13.094 5.711 2.551) 14.511 5.227 ( -5.463 22.550 1.684) 23.263 5.495 ( 4.603 -26.804 23.281) 35.800 5.877 ( -24.566 3.631 13.569) 28.298 6.309 ( 2.006 5.472 -2.154) 6.213 7.335 ( 2.556 23.611 -22.528) 32.734 7.789 ( -5.521 -27.758 -14.320) 31.719 8.500 ( -8.968 9.048 -9.106) 15.659 9.437 ( 2.900 6.460 6.115) 9.356 10.306 ( 26.071 -12.454 0.873) 28.906 10.572 ( 2.733 -9.935 -43.545) 44.748 10.745 ( -12.958 -2.733 -9.606) 16.360 12.021 ( 11.262 -16.060 4.966) 20.234 12.979 ( -20.744 27.740 29.116) 45.250 15.530 ( -1.553 18.745 -9.362) 21.010 16.003 ( -0.794 1.518 -24.695) 24.754 18.137 ( -2.841 -17.857 30.958) 35.852 19.354 ( 2.695 -13.626 7.200) 15.645 20.411 ( -0.517 -1.041 10.791) 10.854 20.919 ( 2.335 5.795 -3.262) 7.048 21.366 ( -1.919 -8.305 -6.735) 10.863 21.794 ( 0.983 -5.032 -16.097) 16.894 22.243 ( -5.068 -9.428 19.280) 22.052 22.637 ( -2.124 -3.648 16.714) 17.239 23.998 ( 3.201 -4.495 4.112) 6.882 24.901 ( 4.805 10.444 -6.730) 13.321 31.032 ( -1.585 1.336 4.413) 4.875 32.737 ( 2.281 19.299 -15.140) 24.635 ======================= Grid point 248 (89/186) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.212 ( 0.000 19.775 -3.921) 20.160 4.462 ( 0.000 28.114 17.160) 32.938 4.647 ( 0.000 5.157 -1.405) 5.345 4.706 ( -0.000 -22.354 15.495) 27.199 5.397 ( 0.000 14.566 5.224) 15.474 6.217 ( 0.000 5.643 -1.190) 5.768 6.328 ( -0.000 -33.058 13.472) 35.698 6.951 ( 0.000 20.671 -18.392) 27.669 7.818 ( 0.000 4.896 -5.590) 7.431 8.804 ( -0.000 -36.857 -8.022) 37.720 9.220 ( 0.000 19.567 10.003) 21.976 10.233 ( 0.000 22.685 -8.315) 24.161 10.757 ( -0.000 -8.267 -38.021) 38.910 10.916 ( -0.000 -11.486 -17.623) 21.035 12.316 ( 0.000 24.588 30.236) 38.971 12.633 ( -0.000 -33.664 9.236) 34.908 15.185 ( 0.000 15.547 -21.092) 26.202 15.990 ( -0.000 -0.053 -14.012) 14.012 18.442 ( -0.000 -16.047 33.070) 36.758 19.578 ( -0.000 -9.297 7.590) 12.002 20.440 ( -0.000 -2.341 8.479) 8.797 20.842 ( 0.000 4.222 -1.509) 4.484 21.454 ( -0.000 -3.032 -6.275) 6.969 21.863 ( -0.000 -1.941 -15.548) 15.669 22.278 ( 0.000 0.767 15.928) 15.946 22.803 ( -0.000 -13.507 11.981) 18.056 23.992 ( 0.000 7.112 2.015) 7.392 24.872 ( -0.000 -4.851 -3.270) 5.850 30.993 ( 0.000 1.666 3.894) 4.235 32.384 ( 0.000 20.575 -12.010) 23.824 ======================= Grid point 255 (90/186) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 3.049 -0.000 35.459) 35.590 3.872 ( 22.053 -0.000 53.687) 58.040 4.596 ( 25.307 -0.000 8.863) 26.814 4.849 ( -7.513 0.000 19.661) 21.048 5.960 ( 0.350 -0.000 -11.991) 11.996 6.254 ( 28.610 -0.000 -7.412) 29.554 6.550 ( -8.274 0.000 -13.792) 16.083 7.097 ( -31.294 0.000 16.896) 35.563 8.270 ( 23.572 -0.000 -12.223) 26.553 8.889 ( 12.392 -0.000 -19.631) 23.215 8.911 ( 12.800 -0.000 -7.691) 14.933 9.711 ( 7.429 -0.000 -25.279) 26.348 10.093 ( -4.423 0.000 -7.022) 8.299 10.434 ( 6.956 -0.000 -8.492) 10.977 11.913 ( -39.729 0.000 -4.101) 39.940 14.891 ( 2.461 -0.000 29.739) 29.840 15.487 ( -8.133 0.000 35.345) 36.268 16.049 ( 2.001 -0.000 -38.875) 38.926 18.143 ( -7.126 0.000 6.797) 9.848 18.397 ( -6.958 0.000 -1.189) 7.059 20.590 ( -3.110 0.000 17.500) 17.774 20.717 ( -0.572 0.000 2.232) 2.305 21.252 ( 1.825 -0.000 -10.867) 11.019 21.419 ( 2.505 -0.000 -10.866) 11.151 21.855 ( -4.375 0.000 20.698) 21.156 22.738 ( -2.623 0.000 19.441) 19.617 23.685 ( 3.910 -0.000 10.620) 11.317 25.386 ( 11.574 -0.000 -16.116) 19.841 31.076 ( 0.360 -0.000 5.179) 5.192 33.336 ( 2.620 -0.000 -22.377) 22.530 ======================= Grid point 256 (91/186) ======================= q-point: ( 0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 2.633 -31.276 33.551) 45.944 4.186 ( 17.248 -13.184 56.610) 60.630 4.744 ( 5.793 2.498 7.467) 9.775 4.812 ( -1.133 -0.981 8.695) 8.823 5.917 ( 12.127 10.081 -7.085) 17.288 6.433 ( 6.593 7.382 -4.103) 10.715 6.541 ( -10.963 2.093 -2.656) 11.473 6.763 ( -14.524 -8.891 1.205) 17.071 8.204 ( 4.914 21.954 -31.394) 38.623 8.951 ( 12.564 0.213 -1.557) 12.661 9.291 ( -3.568 -15.965 -14.480) 21.847 9.722 ( 9.867 -0.726 -3.705) 10.565 10.089 ( 1.790 -5.417 -21.002) 21.763 10.734 ( 20.580 -8.013 -12.072) 25.169 11.531 ( -37.185 -6.608 -3.524) 37.932 14.372 ( -3.057 41.268 37.762) 56.021 15.745 ( 0.738 -15.811 23.544) 28.370 16.057 ( -0.489 0.374 -37.909) 37.914 17.860 ( -5.207 10.391 9.127) 14.778 18.673 ( -1.315 -22.728 2.133) 22.865 20.471 ( -0.828 5.245 14.196) 15.156 20.900 ( -0.989 -14.690 2.419) 14.920 21.170 ( 1.269 7.488 -8.656) 11.516 21.540 ( 1.142 -7.951 -13.756) 15.929 21.871 ( -2.672 -5.558 20.423) 21.334 22.696 ( -1.749 2.119 20.530) 20.713 23.759 ( 2.324 -4.578 9.656) 10.936 25.385 ( 5.909 9.814 -15.473) 19.252 31.073 ( -0.011 0.687 5.441) 5.484 33.275 ( 1.310 8.571 -20.064) 21.858 ======================= Grid point 257 (92/186) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.453 ( -0.000 -36.085 31.411) 47.841 4.652 ( 0.000 4.709 -2.421) 5.295 4.747 ( -0.000 -34.895 51.277) 62.024 4.803 ( 0.000 4.263 0.579) 4.303 5.866 ( 0.000 30.639 14.607) 33.943 5.874 ( 0.000 10.714 -2.470) 10.995 6.471 ( 0.000 7.192 -4.998) 8.758 7.164 ( -0.000 -32.954 -13.569) 35.638 7.788 ( 0.000 24.677 -28.172) 37.452 8.773 ( 0.000 19.899 -11.279) 22.874 9.463 ( -0.000 -5.429 -3.431) 6.423 10.098 ( -0.000 -25.306 10.302) 27.323 10.267 ( -0.000 -13.184 -35.661) 38.020 10.822 ( 0.000 8.662 -13.190) 15.780 11.638 ( -0.000 -23.546 -5.601) 24.203 13.572 ( 0.000 42.546 39.173) 57.833 15.818 ( 0.000 9.303 7.155) 11.736 16.025 ( 0.000 1.745 -35.974) 36.017 17.835 ( -0.000 -10.565 23.205) 25.497 19.061 ( -0.000 -19.690 4.764) 20.258 20.409 ( 0.000 1.395 12.735) 12.811 21.045 ( 0.000 6.889 -6.156) 9.238 21.160 ( -0.000 -13.458 -3.241) 13.843 21.687 ( -0.000 -7.282 -15.844) 17.437 22.007 ( -0.000 -11.209 21.645) 24.375 22.636 ( 0.000 2.826 19.700) 19.901 23.888 ( -0.000 -7.728 7.270) 10.610 25.178 ( 0.000 15.157 -11.990) 19.326 31.052 ( 0.000 1.403 5.196) 5.382 33.065 ( 0.000 15.173 -17.713) 23.323 ======================= Grid point 268 (93/186) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -0.000 0.000 37.221) 37.221 4.153 ( -0.000 0.000 74.321) 74.321 4.723 ( 0.000 -0.000 0.238) 0.238 4.878 ( -0.000 0.000 2.942) 2.942 6.087 ( -0.000 0.000 -6.701) 6.701 6.403 ( -0.000 0.000 -17.552) 17.552 6.616 ( -0.000 0.000 -4.896) 4.896 6.619 ( 0.000 -0.000 18.397) 18.397 8.513 ( 0.000 0.000 -36.489) 36.489 9.015 ( -0.000 0.000 11.932) 11.932 9.038 ( 0.000 0.000 -24.464) 24.464 9.776 ( -0.000 0.000 -14.586) 14.586 10.048 ( 0.000 0.000 -15.218) 15.218 10.962 ( 0.000 -0.000 -11.929) 11.929 11.068 ( -0.000 0.000 0.620) 0.620 14.923 ( 0.000 0.000 36.227) 36.227 15.401 ( 0.000 0.000 37.742) 37.742 16.067 ( 0.000 0.000 -44.335) 44.335 18.069 ( 0.000 -0.000 5.942) 5.942 18.330 ( 0.000 0.000 -1.342) 1.342 20.559 ( 0.000 0.000 17.741) 17.741 20.711 ( 0.000 0.000 2.194) 2.194 21.271 ( 0.000 -0.000 -11.168) 11.168 21.445 ( 0.000 -0.000 -11.980) 11.980 21.811 ( 0.000 0.000 19.241) 19.241 22.708 ( -0.000 0.000 21.423) 21.423 23.728 ( 0.000 0.000 10.425) 10.425 25.509 ( 0.000 0.000 -17.096) 17.096 31.080 ( 0.000 -0.000 5.720) 5.720 33.359 ( 0.000 -0.000 -20.322) 20.322 ======================= Grid point 315 (94/186) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 0.000 35.403) 35.403 2.665 ( 0.000 0.000 34.991) 34.991 3.785 ( 0.000 0.000 27.208) 27.208 4.611 ( 0.000 0.000 -5.655) 5.655 4.827 ( 0.000 0.000 -30.177) 30.177 4.891 ( 0.000 0.000 4.882) 4.882 6.236 ( 0.000 0.000 32.306) 32.306 6.817 ( 0.000 0.000 -5.567) 5.567 7.508 ( 0.000 0.000 -36.347) 36.347 7.945 ( 0.000 0.000 -47.425) 47.425 8.889 ( 0.000 0.000 13.378) 13.378 9.806 ( 0.000 0.000 9.772) 9.772 10.495 ( 0.000 0.000 25.071) 25.071 11.607 ( 0.000 0.000 -0.680) 0.680 12.074 ( 0.000 0.000 -6.980) 6.980 14.233 ( 0.000 0.000 -59.696) 59.696 15.946 ( 0.000 0.000 31.147) 31.147 16.444 ( 0.000 0.000 15.581) 15.581 19.389 ( 0.000 0.000 13.709) 13.709 20.031 ( 0.000 0.000 -7.179) 7.179 20.693 ( 0.000 0.000 1.383) 1.383 20.846 ( 0.000 0.000 2.939) 2.939 20.924 ( 0.000 0.000 -4.631) 4.631 21.096 ( 0.000 0.000 -1.528) 1.528 22.648 ( 0.000 0.000 -3.072) 3.072 22.678 ( 0.000 0.000 -2.695) 2.695 23.935 ( 0.000 0.000 22.619) 22.619 25.640 ( 0.000 0.000 -14.279) 14.279 30.990 ( 0.000 0.000 -0.544) 0.544 31.002 ( 0.000 0.000 -0.729) 0.729 ======================= Grid point 316 (95/186) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 16.530 -11.402 29.556) 35.733 2.891 ( 6.647 -18.160 31.107) 36.628 3.896 ( 7.699 -5.492 22.256) 24.181 4.457 ( -27.626 -5.174 -6.362) 28.817 4.756 ( 7.071 -8.427 -6.993) 13.035 5.438 ( 42.252 -9.851 -7.943) 44.106 6.355 ( 0.918 -11.787 28.297) 30.667 6.814 ( -4.381 -3.080 -5.720) 7.836 7.242 ( 3.318 20.934 -30.599) 37.223 8.246 ( 3.047 -21.857 -49.708) 54.386 8.630 ( -7.088 15.710 16.025) 23.534 9.975 ( -10.011 -16.274 5.834) 19.977 10.416 ( 1.073 8.039 22.008) 23.455 11.509 ( -18.323 -0.228 -0.925) 18.348 12.061 ( 17.908 12.395 -5.181) 22.386 14.207 ( -0.038 2.916 -57.345) 57.419 15.883 ( 1.008 8.593 28.120) 29.421 16.399 ( 0.256 3.987 15.955) 16.447 19.350 ( -7.837 -0.631 13.530) 15.648 19.925 ( -15.837 0.956 -4.710) 16.550 20.715 ( 4.917 1.590 0.635) 5.207 20.819 ( -1.072 1.759 4.582) 5.024 20.989 ( 4.022 -4.664 -5.130) 8.016 21.168 ( -1.447 -7.517 -3.867) 8.577 22.571 ( 5.268 5.167 0.165) 7.381 22.838 ( 3.471 -8.994 -3.241) 10.171 23.912 ( -1.279 1.591 21.721) 21.817 25.472 ( -22.602 3.537 -9.914) 24.933 31.014 ( 4.327 -0.339 -0.482) 4.367 31.143 ( 19.823 -2.053 -4.690) 20.473 ======================= Grid point 317 (96/186) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 15.009 -13.441 21.871) 29.736 3.317 ( 11.044 -15.831 25.767) 32.195 4.017 ( -6.784 -7.505 7.205) 12.420 4.451 ( -8.881 -12.954 -3.486) 16.088 5.170 ( 29.365 -15.827 6.865) 34.058 5.968 ( 22.031 -8.900 1.827) 23.831 6.497 ( -0.098 3.934 6.708) 7.777 6.855 ( 5.960 3.609 -11.100) 13.105 7.149 ( 9.964 -16.788 -4.529) 20.041 8.386 ( -6.430 -0.182 11.815) 13.452 8.692 ( 5.131 -20.758 -51.500) 55.762 9.955 ( -16.335 4.723 13.654) 21.808 10.338 ( -0.906 -0.329 3.849) 3.968 11.247 ( -18.616 8.319 -3.712) 20.725 11.986 ( 13.434 12.992 2.504) 18.856 14.115 ( -2.708 6.398 -49.113) 49.602 15.642 ( 2.230 18.481 21.234) 28.238 16.333 ( 1.046 4.597 12.829) 13.667 19.266 ( -12.238 -1.835 13.848) 18.572 19.741 ( -18.411 -1.661 -0.154) 18.487 20.721 ( 3.655 2.393 1.358) 4.575 20.775 ( -2.402 0.993 6.769) 7.250 21.145 ( 5.431 -6.182 -7.838) 11.364 21.299 ( -2.175 -8.373 -7.167) 11.234 22.581 ( 9.570 2.298 4.933) 11.009 23.034 ( 3.535 -7.754 -1.001) 8.580 23.868 ( -1.013 1.286 18.615) 18.687 25.139 ( -26.880 3.329 -4.651) 27.482 31.083 ( 4.138 -2.229 -0.076) 4.700 31.403 ( 25.456 0.675 -9.524) 27.188 ======================= Grid point 318 (97/186) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 9.241 -9.292 16.472) 21.049 3.634 ( 7.679 -8.529 15.622) 19.384 4.103 ( -6.305 -9.555 5.388) 12.652 4.647 ( 0.102 -12.258 -3.095) 12.643 5.804 ( 30.207 -14.126 8.127) 34.323 6.120 ( -8.749 -0.694 10.340) 13.562 6.337 ( 11.218 9.849 3.521) 15.338 7.030 ( 23.700 -6.036 -8.116) 25.768 7.773 ( 9.541 -32.587 1.217) 33.977 8.502 ( -4.632 -16.806 4.260) 17.945 9.073 ( 6.864 -12.448 -43.185) 45.464 9.621 ( -10.355 12.243 4.485) 16.650 10.300 ( -10.234 0.027 -5.364) 11.554 10.836 ( -10.981 19.156 -8.234) 23.565 11.910 ( 3.144 3.744 12.245) 13.185 13.886 ( -8.977 13.020 -31.499) 35.246 15.362 ( 9.133 15.739 9.666) 20.605 16.206 ( -3.827 8.858 4.301) 10.564 19.181 ( -12.174 -3.153 15.916) 20.285 19.631 ( -12.747 -3.778 4.646) 14.084 20.711 ( 2.597 2.159 2.820) 4.400 20.736 ( -2.806 0.260 8.006) 8.487 21.300 ( 4.313 -5.093 -11.227) 13.061 21.410 ( -2.635 -6.315 -9.768) 11.926 22.676 ( 11.828 -0.293 9.283) 15.039 23.155 ( -0.802 -3.193 4.207) 5.342 23.875 ( 2.601 -1.858 12.508) 12.911 24.829 ( -21.890 2.927 -2.619) 22.239 31.169 ( 3.374 -2.683 0.330) 4.323 31.612 ( 19.796 2.234 -10.898) 22.708 ======================= Grid point 319 (98/186) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 4.084 -4.233 13.575) 14.794 3.803 ( 2.562 -4.508 1.964) 5.544 4.214 ( 0.041 -6.004 7.705) 9.768 4.823 ( -1.087 -5.951 -2.475) 6.536 5.919 ( -0.842 5.788 10.261) 11.810 6.077 ( -1.472 1.889 8.918) 9.234 6.663 ( 29.456 -15.374 10.531) 34.856 7.378 ( 13.322 -4.975 -2.951) 14.524 8.390 ( -0.221 -28.304 1.197) 28.330 8.727 ( -4.573 -8.079 3.921) 10.077 9.188 ( 6.987 1.944 -2.725) 7.747 9.497 ( 0.769 -0.688 -43.701) 43.713 10.115 ( -14.066 4.049 -7.418) 16.410 10.415 ( -2.373 17.227 -16.142) 23.727 11.936 ( -0.585 -4.820 19.278) 19.880 13.490 ( -10.433 16.552 -12.585) 23.264 15.323 ( 15.917 3.136 -2.667) 16.440 15.935 ( -11.754 11.225 -3.517) 16.629 19.140 ( -6.716 -2.892 18.672) 20.053 19.598 ( -6.159 -2.778 7.887) 10.385 20.700 ( 2.245 1.714 4.602) 5.400 20.709 ( -2.646 -0.426 7.647) 8.103 21.411 ( 3.363 -2.783 -13.309) 14.007 21.469 ( -2.879 -3.289 -11.827) 12.609 22.821 ( 11.671 -1.926 11.680) 16.624 23.132 ( -6.298 1.002 9.385) 11.347 23.982 ( 6.216 -3.881 6.760) 9.970 24.586 ( -14.699 2.930 -1.841) 15.101 31.239 ( 1.860 -1.801 0.583) 2.654 31.731 ( 10.450 1.746 -10.756) 15.098 ======================= Grid point 320 (99/186) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 0.000 0.000 12.851) 12.851 3.854 ( 0.000 -0.000 -3.541) 3.541 4.284 ( 0.000 -0.000 6.556) 6.556 4.854 ( 0.000 0.000 -0.000) 0.000 5.867 ( -0.000 -0.000 10.343) 10.343 6.037 ( 0.000 0.000 11.564) 11.564 7.097 ( -0.000 0.000 8.343) 8.343 7.385 ( 0.000 -0.000 4.374) 4.374 8.699 ( 0.000 0.000 2.083) 2.083 8.741 ( -0.000 -0.000 8.032) 8.032 9.295 ( 0.000 -0.000 -20.370) 20.370 9.404 ( -0.000 -0.000 -25.068) 25.068 10.044 ( -0.000 0.000 -18.188) 18.188 10.207 ( -0.000 -0.000 -21.666) 21.666 12.003 ( -0.000 -0.000 22.378) 22.378 13.244 ( 0.000 0.000 -6.383) 6.383 15.473 ( 0.000 -0.000 -5.602) 5.602 15.674 ( -0.000 -0.000 -7.327) 7.327 19.134 ( 0.000 -0.000 19.768) 19.768 19.593 ( -0.000 0.000 9.014) 9.014 20.697 ( -0.001 -0.000 7.428) 7.428 20.698 ( 0.001 0.000 5.213) 5.213 21.466 ( 0.000 0.000 -14.326) 14.326 21.472 ( -0.000 -0.000 -12.254) 12.254 22.939 ( -0.000 0.000 12.194) 12.194 23.048 ( 0.000 -0.000 11.172) 11.172 24.073 ( 0.000 -0.000 5.058) 5.058 24.464 ( -0.000 -0.000 -1.675) 1.675 31.266 ( 0.000 -0.000 0.663) 0.663 31.768 ( 0.000 -0.000 -10.578) 10.578 ======================= Grid point 327 (100/186) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 34.397 -0.000 17.875) 38.764 2.784 ( 10.269 -0.000 33.634) 35.166 4.015 ( 20.523 -0.000 22.957) 30.793 4.039 ( -30.211 0.000 -10.273) 31.910 4.889 ( 26.291 -0.000 2.959) 26.457 5.799 ( 39.552 -0.000 -9.329) 40.638 6.237 ( 0.827 -0.000 29.368) 29.380 6.759 ( -1.808 0.000 -8.833) 9.016 7.517 ( 0.551 -0.000 -35.081) 35.085 8.042 ( 8.876 -0.000 -46.068) 46.916 8.687 ( -16.816 0.000 17.440) 24.226 9.668 ( -12.973 0.000 13.144) 18.468 10.482 ( -1.613 0.000 19.821) 19.886 11.312 ( -19.624 0.000 -2.865) 19.832 12.369 ( 17.653 -0.000 -7.873) 19.329 14.245 ( 1.617 -0.000 -56.415) 56.439 15.971 ( 2.005 -0.000 29.312) 29.381 16.432 ( -1.349 0.000 16.436) 16.491 19.223 ( -14.656 0.000 11.535) 18.651 19.702 ( -26.392 0.000 -3.814) 26.666 20.809 ( 7.244 -0.000 -2.562) 7.683 20.835 ( -0.930 0.000 3.017) 3.158 20.986 ( 4.943 -0.000 -5.256) 7.215 21.061 ( -3.179 0.000 -0.743) 3.264 22.738 ( 6.241 -0.000 1.466) 6.411 22.754 ( 6.974 -0.000 -0.306) 6.980 23.907 ( -2.474 0.000 21.282) 21.425 25.196 ( -32.411 0.000 -1.863) 32.465 31.031 ( 2.642 -0.000 0.645) 2.720 31.456 ( 36.562 -0.000 -14.878) 39.474 ======================= Grid point 328 (101/186) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 32.279 -0.731 14.191) 35.269 3.128 ( 14.359 -19.944 25.604) 35.490 3.805 ( -13.178 -1.124 -2.244) 13.415 4.325 ( 20.267 -5.882 9.414) 23.108 5.284 ( 34.002 -9.109 14.436) 38.046 6.054 ( 9.085 0.730 3.225) 9.668 6.432 ( 4.365 -13.075 14.314) 19.872 6.829 ( 14.785 -1.977 -12.621) 19.540 7.355 ( 8.205 11.990 -26.437) 30.166 8.331 ( -1.278 -7.444 -20.322) 21.680 8.440 ( -2.030 -3.478 -9.223) 10.064 9.641 ( -20.646 -11.157 13.766) 27.207 10.400 ( -3.603 5.607 13.367) 14.937 11.106 ( -19.666 0.419 -4.809) 20.250 12.398 ( 11.888 13.164 -5.028) 18.436 14.225 ( 2.442 5.121 -50.819) 51.134 15.895 ( -0.944 10.034 23.609) 25.670 16.401 ( -0.380 1.659 16.436) 16.524 19.066 ( -18.601 -1.681 10.493) 21.423 19.457 ( -25.200 -4.445 -0.845) 25.603 20.784 ( -1.972 2.895 5.378) 6.419 20.829 ( 5.003 3.830 -2.410) 6.745 21.081 ( 1.483 -5.759 -5.071) 7.816 21.131 ( 0.376 -7.585 -5.584) 9.427 22.725 ( 6.938 3.167 6.732) 10.172 22.936 ( 4.379 -7.260 3.152) 9.045 23.871 ( -2.207 0.773 18.944) 19.088 24.889 ( -23.983 0.722 0.557) 24.001 31.076 ( 3.150 -1.509 1.875) 3.964 31.792 ( 34.204 4.623 -20.431) 40.109 ======================= Grid point 329 (102/186) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 28.426 -0.322 12.811) 31.181 3.627 ( 18.318 -10.896 14.378) 25.710 3.825 ( -2.735 -13.067 7.314) 15.222 4.590 ( 17.782 -1.828 0.099) 17.876 5.834 ( 24.145 -13.939 19.639) 34.102 6.027 ( -8.636 0.726 5.067) 10.039 6.611 ( 11.278 3.781 6.520) 13.565 6.982 ( 4.077 -9.209 -12.879) 16.349 7.571 ( 25.667 -11.113 -12.875) 30.790 8.260 ( -3.493 -5.122 13.977) 15.290 8.843 ( 9.412 -19.468 -49.769) 54.263 9.565 ( -18.848 -3.263 12.445) 22.821 10.223 ( -10.757 5.385 6.511) 13.678 10.891 ( -15.140 3.691 -9.575) 18.290 12.196 ( 6.534 17.181 4.182) 18.851 14.084 ( 0.597 12.931 -37.322) 39.503 15.636 ( -4.183 12.583 12.413) 18.163 16.320 ( -3.174 7.525 9.376) 12.435 18.930 ( -18.723 -6.103 13.315) 23.772 19.381 ( -14.014 -8.870 3.487) 16.947 20.719 ( -2.569 1.499 7.952) 8.490 20.801 ( 3.597 3.800 -0.434) 5.250 21.210 ( -1.124 -7.884 -7.385) 10.860 21.276 ( 1.820 -6.458 -10.240) 12.242 22.772 ( 6.068 -0.871 11.307) 12.862 23.071 ( -0.672 -4.687 7.215) 8.630 23.861 ( 0.684 -1.466 14.112) 14.204 24.677 ( -12.675 2.351 -1.393) 12.966 31.140 ( 2.181 -2.282 2.739) 4.179 31.976 ( 25.787 8.927 -19.489) 33.533 ======================= Grid point 330 (103/186) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 24.321 5.314 11.317) 27.346 3.867 ( 16.410 -1.290 3.085) 16.747 4.150 ( 10.970 -10.008 12.889) 19.663 4.778 ( 12.379 -1.941 -0.882) 12.561 5.830 ( -16.022 1.555 7.337) 17.690 6.220 ( 10.541 -2.380 11.385) 15.697 6.688 ( 15.855 -4.228 10.206) 19.324 7.306 ( 3.459 -13.869 -3.241) 14.657 7.954 ( -1.216 -16.445 -7.012) 17.919 8.463 ( 3.928 -13.386 3.671) 14.425 9.261 ( 10.046 -14.444 -41.623) 45.189 9.430 ( -3.864 3.560 -2.675) 5.896 10.016 ( -14.234 1.646 3.377) 14.721 10.651 ( -6.895 10.329 -16.471) 20.628 12.008 ( 6.412 8.497 15.682) 18.954 13.759 ( -3.284 20.516 -16.633) 26.615 15.452 ( -1.829 3.138 -2.317) 4.308 16.035 ( -12.071 14.237 -0.521) 18.673 18.930 ( -10.531 -10.122 18.554) 23.613 19.450 ( -4.317 -8.193 6.605) 11.375 20.679 ( -2.371 0.211 8.908) 9.221 20.771 ( 2.872 3.049 1.483) 4.444 21.328 ( -2.424 -6.831 -9.474) 11.928 21.394 ( 2.089 -4.368 -13.405) 14.252 22.873 ( 4.671 -3.651 12.895) 14.192 23.074 ( -5.848 0.216 11.230) 12.663 23.946 ( 3.153 -4.899 8.596) 10.384 24.534 ( -4.096 3.735 -2.667) 6.151 31.194 ( -0.155 -2.304 3.035) 3.814 32.013 ( 16.918 10.944 -16.432) 26.000 ======================= Grid point 331 (104/186) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 22.275 10.041 12.047) 27.242 4.009 ( 15.229 5.092 -0.580) 16.068 4.355 ( 13.107 0.580 6.899) 14.823 4.902 ( 10.209 0.674 1.070) 10.287 5.680 ( -15.419 -3.750 13.278) 20.691 6.243 ( 10.710 7.975 4.800) 14.189 7.013 ( -0.382 -10.457 11.968) 15.898 7.281 ( -18.445 1.507 6.656) 19.667 8.303 ( -8.083 -23.697 -3.700) 25.310 8.690 ( -2.956 -13.390 -5.637) 14.826 9.274 ( 0.645 8.492 -2.005) 8.749 9.576 ( 6.958 -2.041 -43.683) 44.281 9.933 ( 1.290 -2.510 -2.944) 4.078 10.404 ( 0.085 11.742 -23.469) 26.242 12.060 ( 13.246 -1.299 24.297) 27.704 13.374 ( -2.017 14.611 -3.018) 15.055 15.400 ( -14.602 2.182 -7.041) 16.357 15.699 ( -3.646 4.162 -9.334) 10.851 19.042 ( -2.530 -8.664 20.962) 22.823 19.565 ( 2.716 -5.093 8.205) 10.032 20.660 ( -1.976 -0.503 8.398) 8.642 20.753 ( 2.688 2.059 3.365) 4.774 21.396 ( -3.256 -3.784 -10.727) 11.832 21.479 ( 2.427 -2.459 -14.974) 15.367 22.910 ( -8.005 1.752 14.606) 16.748 23.044 ( 2.591 -3.234 10.369) 11.166 24.036 ( -1.234 -1.805 6.050) 6.433 24.498 ( 6.414 -0.030 -3.009) 7.085 31.214 ( -3.261 -1.742 2.788) 4.630 31.940 ( 8.660 11.406 -13.443) 19.642 ======================= Grid point 332 (105/186) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( 21.073 15.217 14.537) 29.782 3.977 ( 6.351 10.446 5.647) 13.466 4.406 ( 13.150 7.940 1.451) 15.430 4.983 ( 12.714 4.802 -3.091) 13.937 5.661 ( -12.101 -10.270 15.563) 22.228 6.218 ( 8.723 5.320 9.457) 13.923 6.609 ( -34.225 16.001 6.685) 38.368 7.246 ( -21.191 0.126 -3.586) 21.492 8.525 ( -7.974 -20.265 14.808) 26.335 8.877 ( 5.968 15.125 2.105) 16.396 9.227 ( -4.529 -14.891 -25.238) 29.651 9.426 ( 1.570 16.491 -19.454) 25.552 10.132 ( 7.423 -8.697 -19.969) 23.011 10.284 ( 4.704 1.691 -26.052) 26.527 12.152 ( 12.844 9.733 24.203) 29.078 13.371 ( 11.885 -10.432 -0.654) 15.828 15.070 ( -27.043 2.506 -6.289) 27.877 15.831 ( 4.891 -10.377 -9.382) 14.820 19.170 ( 3.069 -5.006 20.575) 21.396 19.680 ( 7.253 -1.752 7.603) 10.652 20.654 ( -1.712 -0.971 6.969) 7.242 20.753 ( 2.851 1.095 5.167) 6.002 21.397 ( -3.513 -0.215 -11.332) 11.866 21.527 ( 2.376 -0.003 -14.370) 14.565 22.748 ( -11.062 3.555 14.471) 18.558 23.147 ( 2.848 -3.341 7.556) 8.739 23.981 ( -4.129 3.182 7.062) 8.777 24.665 ( 13.895 -5.474 -4.026) 15.468 31.188 ( -6.343 -0.845 2.194) 6.765 31.786 ( 1.339 11.045 -10.828) 15.526 ======================= Grid point 333 (106/186) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 17.435 21.695 19.410) 33.933 3.785 ( -1.786 12.754 17.186) 21.476 4.355 ( 8.018 10.099 1.683) 13.004 4.931 ( 10.011 12.847 -3.713) 16.705 5.723 ( -14.118 1.618 4.346) 14.860 6.066 ( -19.253 -1.373 7.181) 20.595 6.236 ( 6.164 3.901 9.377) 11.880 6.821 ( -35.306 6.761 -9.323) 37.136 8.375 ( -0.475 35.894 7.786) 36.732 8.857 ( 5.943 -0.548 3.390) 6.864 9.059 ( -4.931 6.069 -9.074) 11.978 9.485 ( -1.043 -7.751 -32.332) 33.264 10.347 ( 7.653 -5.817 -18.052) 20.451 10.502 ( 4.474 -20.392 -11.760) 23.961 12.028 ( 6.319 12.227 18.481) 23.043 13.811 ( 20.000 -12.474 -16.477) 28.759 14.896 ( -23.880 -15.166 4.691) 28.676 16.064 ( 1.667 -10.413 -2.263) 10.786 19.283 ( 6.041 -2.177 18.741) 19.810 19.781 ( 9.575 -0.096 4.703) 10.668 20.658 ( -1.623 -1.253 5.251) 5.637 20.770 ( 2.891 0.411 6.297) 6.942 21.332 ( -3.874 3.242 -10.058) 11.256 21.523 ( 2.077 3.165 -12.536) 13.095 22.582 ( -9.845 2.409 12.244) 15.894 23.195 ( 0.199 0.290 2.850) 2.872 23.887 ( -2.102 2.759 11.573) 12.082 24.942 ( 16.225 -7.420 -6.501) 18.989 31.118 ( -8.528 0.018 1.596) 8.676 31.577 ( -3.892 10.358 -8.316) 13.842 ======================= Grid point 334 (107/186) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 6.591 27.758 26.290) 38.796 3.501 ( -5.086 13.944 26.064) 29.994 4.212 ( 0.327 9.541 4.959) 10.758 4.790 ( 7.358 12.809 4.582) 15.466 5.314 ( -3.817 19.204 -10.585) 22.258 5.919 ( -23.341 11.824 -0.985) 26.184 6.364 ( 5.872 -15.145 0.395) 16.249 6.561 ( -13.881 -7.602 -0.614) 15.838 7.676 ( -1.453 37.967 8.227) 38.875 8.580 ( 2.211 16.800 2.097) 17.074 8.979 ( -2.305 12.707 -45.904) 47.686 9.763 ( 3.169 -21.038 11.813) 24.335 10.432 ( 3.185 2.530 -13.861) 14.446 11.028 ( 5.632 -28.294 -4.480) 29.195 11.873 ( -0.655 8.165 11.596) 14.198 14.077 ( 7.082 -2.647 -43.511) 44.163 15.163 ( -7.369 -28.659 22.508) 37.179 16.223 ( -0.622 -6.760 6.900) 9.679 19.366 ( 4.931 -0.563 16.770) 17.489 19.886 ( 8.620 -1.014 0.562) 8.698 20.664 ( -1.464 -1.175 3.701) 4.150 20.793 ( 2.059 0.038 6.267) 6.596 21.207 ( -3.562 5.976 -7.090) 9.933 21.454 ( 1.280 6.340 -10.138) 12.026 22.475 ( -5.883 0.026 7.800) 9.771 23.133 ( -1.451 5.575 -1.949) 6.082 23.855 ( 0.043 -0.301 17.085) 17.088 25.247 ( 13.569 -8.486 -9.958) 18.849 31.023 ( -8.134 0.522 1.417) 8.273 31.348 ( -4.668 9.440 -5.610) 11.933 ======================= Grid point 335 (108/186) ======================= q-point: (-0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 0.000 25.119 31.360) 40.180 3.194 ( 0.000 17.241 29.120) 33.841 4.026 ( 0.000 10.901 13.319) 17.212 4.622 ( 0.000 7.175 10.417) 12.649 5.067 ( 0.000 12.996 -27.445) 30.367 5.427 ( 0.000 19.600 1.226) 19.638 6.517 ( 0.000 2.906 17.954) 18.188 6.809 ( -0.000 -23.008 -21.503) 31.492 7.069 ( 0.000 24.829 4.141) 25.172 8.461 ( -0.000 -3.017 11.602) 11.988 8.637 ( 0.000 21.576 -52.661) 56.909 10.157 ( -0.000 -18.016 22.123) 28.531 10.315 ( 0.000 12.048 -5.919) 13.424 11.570 ( -0.000 -25.348 -4.627) 25.767 11.717 ( 0.000 6.448 5.214) 8.293 14.152 ( -0.000 -3.141 -53.881) 53.973 15.607 ( -0.000 -21.366 25.688) 33.412 16.316 ( -0.000 -4.537 13.881) 14.603 19.397 ( 0.000 0.200 15.192) 15.194 19.971 ( -0.000 -2.337 -3.127) 3.904 20.672 ( -0.000 -0.816 2.520) 2.649 20.807 ( -0.000 -0.448 5.669) 5.686 21.068 ( 0.000 6.482 -5.043) 8.212 21.325 ( 0.000 8.366 -7.357) 11.140 22.469 ( -0.000 -2.751 2.984) 4.059 22.988 ( 0.000 8.888 -4.027) 9.758 23.882 ( -0.000 -2.067 20.459) 20.563 25.481 ( -0.000 -7.854 -12.871) 15.079 30.962 ( 0.000 0.321 1.303) 1.342 31.166 ( 0.000 7.305 -3.210) 7.979 ======================= Grid point 338 (109/186) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 3.251 -0.000 26.611) 26.809 3.085 ( 35.945 -0.000 5.276) 36.330 3.788 ( 8.983 -0.000 3.728) 9.726 4.578 ( 33.791 -0.000 6.752) 34.459 5.513 ( 26.096 -0.000 26.768) 37.384 6.110 ( -7.814 0.000 -6.604) 10.231 6.336 ( 10.475 -0.000 12.479) 16.292 7.069 ( 29.219 -0.000 -13.289) 32.099 7.513 ( -0.691 0.000 -27.531) 27.539 8.289 ( 14.395 -0.000 -42.705) 45.066 8.373 ( -8.747 0.000 19.880) 21.719 9.304 ( -20.892 0.000 17.098) 26.996 10.411 ( -5.533 0.000 10.362) 11.747 10.891 ( -21.206 0.000 -6.055) 22.054 12.605 ( 3.210 -0.000 -7.831) 8.463 14.323 ( 6.531 -0.000 -48.990) 49.423 16.003 ( 0.362 -0.000 24.993) 24.996 16.374 ( -4.618 0.000 18.959) 19.513 18.861 ( -18.815 0.000 7.799) 20.367 19.113 ( -28.038 0.000 -1.322) 28.069 20.811 ( -1.299 0.000 2.927) 3.202 20.919 ( 2.603 -0.000 -4.016) 4.785 20.986 ( -2.786 0.000 -0.409) 2.816 21.088 ( 4.424 -0.000 -7.102) 8.367 22.767 ( -5.365 0.000 16.746) 17.584 22.927 ( 8.672 -0.000 5.408) 10.220 23.853 ( -2.023 0.000 17.741) 17.856 24.732 ( -7.872 0.000 -2.432) 8.239 31.100 ( 3.761 -0.000 3.906) 5.422 32.177 ( 29.663 -0.000 -26.996) 40.109 ======================= Grid point 339 (110/186) ======================= q-point: ( 0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 8.061 -15.321 20.524) 26.851 3.509 ( 28.640 -8.964 5.437) 30.498 3.923 ( 22.792 4.083 13.166) 26.636 4.909 ( 34.542 4.461 -2.184) 34.898 5.800 ( 10.615 -8.448 34.006) 36.613 5.959 ( -11.294 1.932 -1.881) 11.611 6.565 ( 7.371 -11.563 -2.026) 13.861 7.154 ( 10.575 14.589 -15.398) 23.701 7.658 ( 18.105 -8.634 -17.689) 26.744 8.246 ( 2.585 4.539 15.808) 16.649 8.628 ( 12.148 -15.568 -39.598) 44.249 9.219 ( -15.469 -11.074 15.127) 24.306 10.250 ( -10.803 8.602 6.538) 15.279 10.718 ( -17.414 -3.498 -8.847) 19.843 12.486 ( -4.294 10.482 -3.084) 11.740 14.333 ( 8.505 8.359 -40.607) 42.322 15.803 ( -8.415 14.999 18.127) 24.987 16.371 ( -2.790 -0.425 15.723) 15.974 18.638 ( -21.063 -1.086 8.970) 22.919 19.019 ( -16.055 -13.743 1.328) 21.175 20.741 ( -2.115 3.629 6.142) 7.441 20.914 ( 3.281 4.049 -4.461) 6.861 21.031 ( -3.275 -7.884 -1.442) 8.658 21.195 ( 3.083 -5.636 -10.310) 12.148 22.716 ( -8.067 -3.460 21.655) 23.366 23.026 ( 4.639 -1.776 9.078) 10.349 23.846 ( 0.389 -0.681 14.697) 14.718 24.689 ( 3.429 3.406 -7.210) 8.680 31.143 ( 3.156 -0.584 5.381) 6.265 32.379 ( 21.772 6.821 -26.350) 34.855 ======================= Grid point 340 (111/186) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( 20.913 -8.152 13.748) 26.322 3.989 ( 22.160 -12.899 0.535) 25.646 4.110 ( 24.061 0.320 24.241) 34.157 5.098 ( 29.508 10.748 -4.015) 31.661 5.716 ( -14.781 4.172 -3.437) 15.739 6.120 ( 3.450 -13.079 37.574) 39.935 6.834 ( 3.926 -5.921 -4.997) 8.686 7.040 ( 2.273 -2.871 -13.642) 14.125 7.790 ( -10.576 2.769 -2.215) 11.155 8.374 ( 13.802 -7.863 0.354) 15.889 9.027 ( 5.706 -16.188 -44.963) 48.127 9.399 ( 8.155 -11.455 8.512) 16.437 9.956 ( -10.739 7.253 7.228) 14.838 10.630 ( -10.646 -1.475 -15.213) 18.627 12.232 ( -3.773 9.986 7.165) 12.857 14.150 ( 5.466 20.995 -17.154) 27.657 15.458 ( -11.810 7.722 -0.178) 14.111 16.194 ( -8.705 14.075 3.112) 16.840 18.585 ( -13.423 -13.032 17.503) 25.620 19.191 ( -4.896 -15.561 3.946) 16.784 20.672 ( -1.907 1.603 8.682) 9.033 20.867 ( 2.791 4.185 -2.252) 5.511 21.157 ( -2.847 -8.710 -5.173) 10.523 21.325 ( 2.025 -5.566 -13.472) 14.716 22.738 ( -7.992 -7.798 21.088) 23.862 23.055 ( -0.561 1.155 12.213) 12.280 23.904 ( 3.675 -3.389 10.347) 11.491 24.652 ( 7.129 6.838 -8.341) 12.929 31.177 ( 1.301 -0.346 6.078) 6.225 32.395 ( 14.755 11.672 -22.456) 29.295 ======================= Grid point 341 (112/186) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( 30.786 7.186 9.901) 33.127 4.246 ( 17.229 3.264 5.780) 18.463 4.486 ( 20.394 -8.798 15.347) 26.997 5.173 ( 23.767 9.751 3.445) 25.920 5.499 ( -13.010 2.666 1.614) 13.378 6.383 ( 5.434 -8.523 15.346) 18.376 6.790 ( -7.495 -0.359 14.654) 16.463 7.151 ( -17.841 4.258 -2.840) 18.560 7.718 ( -13.337 -25.370 -9.281) 30.127 8.520 ( -5.351 0.620 -7.128) 8.935 9.265 ( -4.026 -9.991 -39.086) 40.544 9.628 ( 14.473 -0.179 -8.676) 16.875 9.965 ( 11.905 -4.506 3.283) 13.146 10.522 ( -5.890 4.265 -22.335) 23.489 12.168 ( 8.659 -2.924 20.929) 22.838 13.711 ( -3.046 26.055 7.265) 27.220 15.308 ( -8.679 1.236 -14.637) 17.062 15.770 ( -13.183 14.778 -9.633) 22.022 18.775 ( -4.655 -16.292 22.919) 28.502 19.438 ( 2.216 -12.451 6.232) 14.099 20.639 ( -1.425 0.251 9.377) 9.488 20.827 ( 2.447 3.145 -0.157) 3.988 21.270 ( -2.682 -6.632 -7.739) 10.539 21.435 ( 1.595 -4.527 -15.518) 16.243 22.798 ( -8.532 -6.051 18.383) 21.151 23.004 ( -2.035 0.624 13.185) 13.356 24.013 ( 4.048 -2.820 6.551) 8.201 24.610 ( 7.838 5.004 -6.657) 11.437 31.178 ( -1.213 0.373 6.052) 6.184 32.277 ( 8.852 14.383 -18.326) 24.921 ======================= Grid point 342 (113/186) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.937 ( 31.811 15.903 10.731) 37.148 4.249 ( 9.348 10.886 5.728) 15.450 4.722 ( 18.663 7.178 5.083) 20.631 5.262 ( 9.396 -1.440 19.958) 22.105 5.399 ( 2.897 2.321 0.447) 3.739 6.325 ( -17.344 8.772 10.675) 22.175 6.624 ( -10.364 11.840 -2.101) 15.874 6.935 ( -21.573 -8.540 4.861) 23.705 8.058 ( -13.505 -17.436 5.812) 22.807 8.579 ( -4.903 -26.903 -16.468) 31.922 9.305 ( 2.506 7.722 -9.897) 12.801 9.712 ( 5.174 6.130 -29.731) 30.794 10.113 ( 11.173 0.020 -8.260) 13.895 10.383 ( -2.169 4.923 -30.868) 31.333 12.466 ( 24.795 -1.770 30.040) 38.992 13.314 ( -6.928 3.510 15.441) 17.284 14.985 ( -18.184 16.613 -13.087) 27.891 15.659 ( -2.922 -9.300 -18.513) 20.922 19.025 ( 0.308 -12.879 23.610) 26.896 19.664 ( 5.247 -7.751 6.873) 11.612 20.628 ( -1.032 -0.353 8.735) 8.803 20.806 ( 2.243 1.837 1.802) 3.414 21.334 ( -2.510 -3.307 -9.020) 9.930 21.519 ( 1.390 -2.927 -15.967) 16.292 22.722 ( -7.852 3.524 17.153) 19.191 23.055 ( -1.510 -6.655 9.918) 12.039 24.037 ( 1.617 3.706 5.561) 6.876 24.682 ( 8.338 -4.068 -5.426) 10.748 31.138 ( -3.406 1.258 5.529) 6.615 32.069 ( 3.912 15.590 -14.621) 21.728 ======================= Grid point 343 (114/186) ======================= q-point: (-0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( 21.549 20.501 15.248) 33.424 4.074 ( 10.338 21.126 15.810) 28.340 4.581 ( -5.416 12.499 0.941) 13.655 5.278 ( 6.791 11.555 6.548) 14.917 5.549 ( 2.789 -13.879 17.921) 22.838 5.979 ( -4.056 8.509 -3.317) 9.993 6.404 ( 0.197 10.491 0.376) 10.500 6.586 ( -35.141 8.358 -9.214) 37.278 8.417 ( -2.614 -31.120 20.021) 37.096 8.971 ( 2.941 24.654 4.492) 25.232 9.147 ( -2.677 -25.038 -27.509) 37.293 9.456 ( 0.986 22.635 -18.337) 29.147 10.275 ( 5.092 -7.061 -23.874) 25.412 10.335 ( 0.065 -2.398 -29.202) 29.300 12.409 ( 8.519 20.638 25.055) 33.559 13.685 ( 15.508 -30.282 18.392) 38.676 14.522 ( -21.927 9.338 -17.708) 29.692 15.860 ( -0.398 -12.624 -11.617) 17.161 19.229 ( 1.890 -8.171 21.971) 23.517 19.819 ( 4.463 -3.877 5.268) 7.918 20.629 ( -0.661 -0.676 7.301) 7.362 20.804 ( 1.655 0.725 3.498) 3.937 21.337 ( -1.893 0.471 -8.853) 9.065 21.563 ( 0.945 -0.396 -14.832) 14.868 22.572 ( -4.935 4.793 15.769) 17.204 23.154 ( -0.796 -4.642 4.682) 6.641 23.950 ( 0.079 5.480 8.919) 10.468 24.896 ( 6.613 -9.794 -7.278) 13.879 31.069 ( -3.776 2.006 4.781) 6.414 31.808 ( 0.555 15.390 -11.178) 19.029 ======================= Grid point 344 (115/186) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( 0.000 35.870 26.280) 44.467 3.720 ( 0.000 13.800 21.235) 25.325 4.359 ( 0.000 7.968 0.784) 8.006 5.072 ( 0.000 13.963 10.400) 17.411 5.657 ( 0.000 11.307 -10.271) 15.276 5.983 ( 0.000 10.369 -3.846) 11.060 6.076 ( -0.000 -10.442 -7.049) 12.599 6.414 ( -0.000 -1.942 10.094) 10.279 8.372 ( 0.000 37.955 9.091) 39.029 8.930 ( -0.000 -20.385 1.229) 20.422 8.999 ( 0.000 26.091 -8.102) 27.320 9.468 ( -0.000 -11.182 -29.674) 31.711 10.429 ( -0.000 -4.643 -22.862) 23.329 10.549 ( -0.000 -22.937 -10.417) 25.192 12.108 ( 0.000 15.863 18.564) 24.418 14.174 ( 0.000 7.131 -36.708) 37.394 14.493 ( -0.000 -37.604 27.276) 46.455 16.068 ( -0.000 -10.145 -1.815) 10.306 19.350 ( -0.000 -3.924 19.480) 19.871 19.897 ( -0.000 -2.151 2.547) 3.334 20.640 ( -0.000 -0.882 5.562) 5.632 20.807 ( 0.000 0.198 4.822) 4.826 21.283 ( 0.000 4.067 -7.484) 8.518 21.546 ( 0.000 2.979 -12.725) 13.069 22.472 ( 0.000 2.941 12.317) 12.663 23.187 ( 0.000 0.728 0.043) 0.730 23.873 ( 0.000 2.635 13.765) 14.015 25.129 ( -0.000 -11.011 -9.916) 14.818 31.006 ( 0.000 2.030 3.767) 4.279 31.543 ( 0.000 13.510 -7.948) 15.675 ======================= Grid point 349 (116/186) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 4.818 -0.000 26.138) 26.578 3.771 ( 31.094 -0.000 5.200) 31.525 4.258 ( 30.316 -0.000 14.797) 33.735 5.349 ( 37.948 -0.000 -6.281) 38.464 5.796 ( 5.219 -0.000 45.471) 45.770 5.848 ( -13.040 0.000 -10.011) 16.439 6.474 ( -4.940 0.000 -8.645) 9.957 7.555 ( 13.042 -0.000 -10.149) 16.526 7.581 ( 7.781 -0.000 -22.571) 23.875 8.457 ( -7.089 0.000 -23.181) 24.240 8.508 ( 23.499 -0.000 20.125) 30.939 9.022 ( 3.759 -0.000 -0.792) 3.841 10.261 ( -8.507 0.000 3.893) 9.355 10.459 ( -19.315 0.000 -8.681) 21.177 12.456 ( -17.945 0.000 -3.925) 18.369 14.526 ( 13.118 -0.000 -42.390) 44.373 15.956 ( -5.480 0.000 20.172) 20.904 16.247 ( -7.113 0.000 22.382) 23.485 18.504 ( -14.932 0.000 5.643) 15.963 18.631 ( -17.795 0.000 -0.354) 17.799 20.785 ( -1.172 0.000 2.714) 2.956 20.878 ( -3.552 0.000 3.967) 5.325 21.008 ( 2.195 -0.000 -7.736) 8.041 21.160 ( 2.579 -0.000 -9.100) 9.458 22.571 ( -10.907 0.000 27.694) 29.765 23.065 ( 4.077 -0.000 11.597) 12.293 23.849 ( 1.860 -0.000 13.548) 13.675 24.809 ( 10.944 -0.000 -12.815) 16.852 31.174 ( 3.181 -0.000 7.357) 8.015 32.634 ( 15.228 -0.000 -27.940) 31.821 ======================= Grid point 350 (117/186) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( 9.350 -23.462 26.459) 36.578 4.120 ( 28.076 -3.986 4.970) 28.790 4.504 ( 28.685 6.195 16.501) 33.668 5.591 ( 19.292 8.936 -1.699) 21.329 5.701 ( -2.275 4.606 -7.439) 9.040 5.945 ( 7.783 -8.295 41.881) 43.398 6.500 ( -10.557 -13.736 -14.610) 22.663 7.322 ( 2.552 17.650 -9.286) 20.106 7.741 ( -13.100 3.353 -6.214) 14.882 8.379 ( 6.400 -6.267 -17.806) 19.932 8.892 ( 14.603 -7.046 -13.697) 21.225 9.273 ( 17.939 -14.311 2.107) 23.045 10.031 ( -6.062 9.413 4.605) 12.106 10.425 ( -9.594 -8.134 -10.923) 16.659 12.199 ( -23.471 2.018 1.732) 23.622 14.577 ( 14.943 12.058 -28.889) 34.688 15.568 ( -13.451 20.176 11.050) 26.648 16.283 ( -5.461 0.565 13.219) 14.314 18.275 ( -13.320 -2.429 11.253) 17.606 18.790 ( -6.818 -21.319 1.334) 22.422 20.703 ( -1.470 3.861 6.841) 7.992 20.954 ( -0.479 -4.165 -2.145) 4.709 20.985 ( 0.081 -0.325 -4.251) 4.264 21.242 ( 1.596 -5.220 -11.919) 13.110 22.516 ( -9.084 -5.298 27.492) 29.435 23.082 ( 0.637 1.333 13.837) 13.916 23.894 ( 3.764 -1.987 11.294) 12.070 24.875 ( 11.011 5.779 -14.357) 18.994 31.199 ( 2.084 0.476 8.410) 8.678 32.697 ( 9.902 6.981 -25.675) 28.391 ======================= Grid point 351 (118/186) ======================= q-point: ( 0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.922 ( 16.068 -25.582 23.197) 38.088 4.425 ( 16.193 -1.705 1.786) 16.381 4.657 ( 22.232 4.230 17.246) 28.453 5.467 ( 3.579 10.955 -2.707) 11.838 5.693 ( 15.671 6.049 10.627) 19.877 6.186 ( 7.282 -8.008 27.720) 29.759 6.707 ( -16.676 -9.614 -3.628) 19.588 7.038 ( -5.385 0.560 -7.175) 8.988 7.374 ( -17.445 10.943 -7.241) 21.829 8.567 ( 1.846 4.603 -14.504) 15.329 8.986 ( -7.498 -10.974 -42.092) 44.141 9.738 ( 16.394 -7.901 -1.594) 18.268 10.002 ( 12.142 -4.711 6.420) 14.521 10.483 ( 0.187 -2.564 -15.309) 15.523 12.025 ( -15.485 -9.209 13.153) 22.307 14.273 ( 5.184 33.944 14.798) 37.390 15.250 ( -6.148 0.716 -24.969) 25.725 15.987 ( -10.282 21.022 -2.518) 23.537 18.390 ( -5.813 -18.665 22.249) 29.618 19.148 ( -0.219 -20.687 3.576) 20.995 20.642 ( -0.938 1.559 9.093) 9.273 20.914 ( 1.657 3.995 -3.800) 5.758 21.107 ( -1.806 -8.613 -4.236) 9.767 21.355 ( 0.963 -5.538 -14.723) 15.760 22.566 ( -6.874 -8.774 24.220) 26.661 23.029 ( -1.615 3.473 15.070) 15.549 23.994 ( 4.137 -4.034 8.239) 10.063 24.830 ( 7.794 9.190 -12.319) 17.233 31.194 ( 0.463 1.499 8.562) 8.704 32.601 ( 5.905 12.192 -22.174) 25.985 ======================= Grid point 352 (119/186) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.365 ( 15.399 5.100 4.543) 16.845 4.529 ( 14.410 -1.289 7.432) 16.265 4.830 ( -2.788 -11.826 22.861) 25.890 5.333 ( 20.936 18.725 10.349) 29.934 5.789 ( 15.806 8.573 6.477) 19.112 6.241 ( -24.069 6.737 12.091) 27.765 6.401 ( -14.209 -10.931 17.843) 25.293 6.949 ( -0.514 16.370 -13.215) 21.044 7.520 ( -6.223 -31.899 -10.272) 34.085 8.289 ( -10.145 6.593 -10.783) 16.207 9.246 ( 0.759 -14.249 -40.231) 42.687 9.849 ( 6.167 4.356 -5.621) 9.412 10.243 ( 7.185 -5.176 -18.932) 20.901 10.446 ( 0.319 8.115 -12.678) 15.056 12.328 ( 5.408 -29.195 25.615) 39.213 13.606 ( -5.308 35.818 30.176) 47.135 15.258 ( 5.087 12.387 -20.937) 24.852 15.489 ( -13.434 6.385 -22.037) 26.587 18.721 ( -1.079 -19.698 25.776) 32.459 19.491 ( 1.869 -15.483 5.611) 16.574 20.620 ( -0.463 0.300 9.597) 9.613 20.866 ( 1.089 2.848 -1.557) 3.423 21.228 ( -1.140 -6.234 -6.803) 9.297 21.457 ( 0.564 -4.777 -16.294) 16.990 22.654 ( -4.095 -5.392 20.111) 21.221 22.963 ( -1.397 0.244 14.387) 14.457 24.090 ( 2.394 -1.430 5.153) 5.859 24.746 ( 3.949 5.034 -8.455) 10.603 31.156 ( -0.678 2.508 7.973) 8.386 32.391 ( 2.544 15.502 -18.559) 24.316 ======================= Grid point 353 (120/186) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.218 ( 0.000 13.123 4.627) 13.915 4.617 ( 0.000 5.946 -1.539) 6.141 4.823 ( 0.000 24.497 18.112) 30.465 5.259 ( -0.000 -8.112 37.757) 38.618 5.524 ( 0.000 11.287 7.119) 13.345 6.192 ( 0.000 3.538 -3.179) 4.756 6.400 ( -0.000 -0.183 -6.655) 6.658 6.663 ( 0.000 14.426 -6.084) 15.657 7.897 ( -0.000 -20.892 13.795) 25.036 8.530 ( -0.000 -33.060 -19.382) 38.322 9.337 ( 0.000 7.945 -11.368) 13.869 9.767 ( 0.000 9.097 -25.879) 27.432 10.260 ( 0.000 5.568 -8.724) 10.349 10.337 ( 0.000 0.127 -36.138) 36.138 12.939 ( 0.000 31.061 30.160) 43.295 13.049 ( -0.000 -40.027 28.995) 49.426 14.790 ( 0.000 26.443 -18.445) 32.240 15.615 ( -0.000 -13.498 -22.854) 26.542 19.032 ( -0.000 -14.509 24.770) 28.706 19.726 ( -0.000 -9.090 6.080) 10.936 20.618 ( -0.000 -0.254 8.856) 8.860 20.832 ( 0.000 1.557 0.810) 1.755 21.306 ( -0.000 -2.937 -8.071) 8.589 21.534 ( -0.000 -3.141 -16.249) 16.549 22.635 ( 0.000 3.944 17.988) 18.415 23.031 ( -0.000 -7.168 9.818) 12.157 24.062 ( 0.000 5.357 5.136) 7.422 24.775 ( -0.000 -5.632 -6.467) 8.576 31.099 ( 0.000 2.919 6.773) 7.375 32.108 ( 0.000 16.736 -14.885) 22.398 ======================= Grid point 360 (121/186) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 8.072 -0.000 33.743) 34.695 4.372 ( 26.591 -0.000 4.210) 26.922 4.796 ( 15.693 -0.000 10.236) 18.736 5.704 ( -6.078 0.000 45.511) 45.915 5.749 ( 8.261 -0.000 -7.765) 11.337 6.064 ( 10.570 -0.000 -8.049) 13.286 6.301 ( 4.181 -0.000 -5.524) 6.928 7.438 ( -23.174 0.000 14.674) 27.429 7.720 ( 5.066 -0.000 -30.711) 31.126 8.294 ( -0.486 0.000 -33.035) 33.039 9.069 ( 17.970 -0.000 12.147) 21.690 9.287 ( 13.159 -0.000 -16.463) 21.076 10.093 ( -6.901 0.000 3.785) 7.871 10.285 ( 10.895 -0.000 -5.460) 12.186 11.889 ( -35.640 0.000 3.323) 35.794 14.840 ( 16.105 -0.000 -42.302) 45.264 15.775 ( -11.344 0.000 19.357) 22.436 16.115 ( -4.921 0.000 25.011) 25.490 18.271 ( -7.505 0.000 5.647) 9.392 18.381 ( -7.145 0.000 -0.197) 7.147 20.766 ( -0.671 0.000 2.545) 2.632 20.819 ( -1.967 0.000 5.820) 6.144 21.043 ( 1.159 -0.000 -8.971) 9.046 21.197 ( 1.119 -0.000 -10.446) 10.505 22.388 ( -6.224 0.000 29.190) 29.846 23.102 ( 0.157 -0.000 15.035) 15.035 23.911 ( 3.207 -0.000 11.491) 11.930 25.039 ( 9.241 -0.000 -17.480) 19.772 31.225 ( 1.700 -0.000 9.752) 9.899 32.840 ( 5.676 -0.000 -25.836) 26.453 ======================= Grid point 361 (122/186) ======================= q-point: ( 0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.493 ( 6.098 -26.869 34.495) 44.148 4.603 ( 15.898 1.383 1.124) 15.997 4.858 ( 4.385 3.063 2.647) 5.967 5.631 ( -5.976 -2.123 40.975) 41.463 5.836 ( 17.424 4.887 5.435) 18.895 6.226 ( -1.083 -14.613 -7.473) 16.449 6.405 ( 9.331 1.980 -5.732) 11.128 7.037 ( -22.862 13.648 18.997) 32.708 7.579 ( 0.369 15.771 -27.012) 31.281 8.511 ( 5.131 -16.983 -40.198) 43.939 8.941 ( -6.127 15.895 -12.364) 21.049 9.638 ( 10.978 -18.255 -7.118) 22.460 10.022 ( -2.231 0.956 5.573) 6.079 10.552 ( 24.543 -2.549 -5.482) 25.276 11.587 ( -31.244 -9.615 11.566) 34.676 14.921 ( 17.577 15.946 -16.322) 28.803 15.268 ( -15.740 20.262 -1.113) 25.681 16.180 ( -3.335 3.246 12.356) 13.203 18.096 ( -4.187 -3.738 13.781) 14.881 18.710 ( -1.615 -25.479 1.163) 25.557 20.682 ( -0.505 3.820 7.262) 8.221 20.930 ( -0.760 -8.776 0.354) 8.816 21.003 ( 0.600 4.045 -7.151) 8.238 21.263 ( 0.498 -5.080 -12.746) 13.730 22.385 ( -3.305 -4.933 27.971) 28.594 23.077 ( -0.472 2.548 15.689) 15.901 23.963 ( 2.082 -2.659 10.337) 10.875 25.050 ( 4.839 6.685 -16.976) 18.876 31.227 ( 0.693 1.160 10.079) 10.169 32.819 ( 2.649 6.773 -24.228) 25.296 ======================= Grid point 362 (123/186) ======================= q-point: ( 0.60 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.127 ( -0.000 -35.297 33.697) 48.799 4.597 ( 0.000 6.968 -2.286) 7.333 4.806 ( 0.000 4.675 -0.604) 4.714 5.737 ( -0.000 -9.589 36.338) 37.581 5.869 ( 0.000 6.955 2.385) 7.352 6.237 ( 0.000 15.937 26.269) 30.725 6.374 ( 0.000 6.063 -4.477) 7.537 6.915 ( -0.000 -24.006 -7.505) 25.151 7.268 ( 0.000 17.761 -21.128) 27.601 8.520 ( 0.000 20.913 -12.909) 24.577 8.914 ( -0.000 -20.816 -46.122) 50.602 9.963 ( 0.000 3.293 3.993) 5.175 10.045 ( -0.000 -16.985 -17.481) 24.373 10.637 ( 0.000 7.570 -7.348) 10.550 11.779 ( -0.000 -27.593 21.514) 34.989 14.328 ( 0.000 43.367 34.610) 55.485 15.206 ( -0.000 -7.979 -44.103) 44.819 15.857 ( 0.000 26.422 -2.980) 26.590 18.332 ( -0.000 -20.658 24.162) 31.789 19.150 ( -0.000 -22.657 3.401) 22.911 20.633 ( 0.000 1.531 9.232) 9.358 20.932 ( 0.000 3.843 -4.493) 5.912 21.088 ( -0.000 -8.532 -3.857) 9.363 21.365 ( -0.000 -5.563 -15.153) 16.142 22.492 ( -0.000 -8.392 24.715) 26.100 23.009 ( 0.000 4.111 15.785) 16.311 24.041 ( -0.000 -4.319 7.810) 8.925 24.917 ( 0.000 9.854 -13.429) 16.657 31.199 ( 0.000 2.251 9.466) 9.730 32.659 ( 0.000 12.213 -21.772) 24.963 ======================= Grid point 373 (124/186) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( -0.000 0.000 38.222) 38.222 4.721 ( 0.000 -0.000 -0.542) 0.542 4.901 ( 0.000 0.000 -1.314) 1.314 5.540 ( -0.000 0.000 48.481) 48.481 6.000 ( -0.000 0.000 -0.811) 0.811 6.048 ( -0.000 0.000 -5.221) 5.221 6.509 ( -0.000 0.000 -5.312) 5.312 7.047 ( 0.000 -0.000 23.054) 23.054 7.781 ( 0.000 0.000 -33.229) 33.229 8.318 ( 0.000 0.000 -39.867) 39.867 9.161 ( -0.000 0.000 0.439) 0.439 9.431 ( -0.000 0.000 -19.129) 19.129 10.015 ( 0.000 0.000 6.609) 6.609 10.760 ( 0.000 0.000 -8.708) 8.708 11.230 ( 0.000 -0.000 17.820) 17.820 15.064 ( 0.000 0.000 -53.705) 53.705 15.602 ( 0.000 0.000 29.942) 29.942 16.063 ( 0.000 0.000 25.918) 25.918 18.194 ( 0.000 0.000 6.039) 6.039 18.311 ( 0.000 0.000 -0.213) 0.213 20.759 ( 0.000 0.000 2.485) 2.485 20.799 ( 0.000 0.000 6.374) 6.374 21.055 ( 0.000 -0.000 -9.344) 9.344 21.208 ( 0.000 0.000 -10.912) 10.912 22.324 ( 0.000 0.000 28.964) 28.964 23.099 ( -0.000 0.000 15.836) 15.836 23.948 ( 0.000 0.000 11.201) 11.201 25.140 ( 0.000 0.000 -18.701) 18.701 31.242 ( 0.000 -0.000 10.585) 10.585 32.895 ( 0.000 -0.000 -24.809) 24.809 ======================= Grid point 420 (125/186) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 0.000 0.000 38.196) 38.196 3.293 ( 0.000 0.000 27.080) 27.080 4.020 ( 0.000 0.000 -4.036) 4.036 4.175 ( 0.000 0.000 -34.434) 34.434 4.613 ( 0.000 0.000 7.583) 7.583 4.926 ( 0.000 0.000 -2.049) 2.049 6.713 ( 0.000 0.000 12.795) 12.795 6.768 ( 0.000 0.000 0.620) 0.620 6.927 ( 0.000 0.000 -19.508) 19.508 7.136 ( 0.000 0.000 -30.504) 30.504 9.329 ( 0.000 0.000 27.961) 27.961 9.942 ( 0.000 0.000 2.284) 2.284 11.001 ( 0.000 0.000 24.419) 24.419 11.675 ( 0.000 0.000 9.637) 9.637 11.841 ( 0.000 0.000 -15.501) 15.501 13.055 ( 0.000 0.000 -55.020) 55.020 16.460 ( 0.000 0.000 19.058) 19.058 16.684 ( 0.000 0.000 7.189) 7.189 19.604 ( 0.000 0.000 8.333) 8.333 19.888 ( 0.000 0.000 -6.912) 6.912 20.734 ( 0.000 0.000 2.484) 2.484 20.845 ( 0.000 0.000 -3.236) 3.236 20.916 ( 0.000 0.000 3.753) 3.753 21.054 ( 0.000 0.000 -2.642) 2.642 22.595 ( 0.000 0.000 -1.905) 1.905 22.619 ( 0.000 0.000 -2.733) 2.733 24.413 ( 0.000 0.000 24.009) 24.009 25.305 ( 0.000 0.000 -18.782) 18.782 30.982 ( 0.000 0.000 -0.239) 0.239 30.989 ( 0.000 0.000 -0.538) 0.538 ======================= Grid point 421 (126/186) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 1.205 -10.687 33.129) 34.831 3.443 ( 4.069 -12.183 23.196) 26.515 4.013 ( -15.389 -3.891 -13.748) 20.999 4.141 ( -4.809 -8.078 -16.472) 18.966 4.831 ( 25.799 -9.243 11.708) 29.801 5.294 ( 37.116 -11.937 -7.804) 39.761 6.673 ( -8.857 2.100 -0.003) 9.102 6.784 ( -3.257 -3.280 0.250) 4.629 6.869 ( 5.459 -1.460 -1.337) 5.807 7.355 ( 4.718 -14.660 -35.947) 39.107 9.130 ( -4.645 14.485 31.769) 35.223 10.008 ( -4.469 -6.216 -4.161) 8.713 10.875 ( -5.574 10.233 22.340) 25.196 11.489 ( -23.585 2.600 -2.824) 23.895 11.953 ( 20.917 4.250 -1.251) 21.381 13.086 ( 3.195 -1.415 -51.463) 51.581 16.365 ( -0.197 10.790 18.825) 21.699 16.630 ( 0.232 5.845 6.045) 8.412 19.562 ( -9.427 -1.345 8.089) 12.495 19.819 ( -12.521 -0.694 -5.592) 13.730 20.747 ( 2.294 0.198 2.534) 3.424 20.890 ( 1.598 -3.076 -3.489) 4.918 20.916 ( -0.021 -0.635 3.868) 3.920 21.091 ( -1.125 -4.248 -3.915) 5.886 22.591 ( 7.238 1.104 2.061) 7.606 22.754 ( 5.979 -7.372 -4.851) 10.660 24.371 ( -3.204 2.567 23.006) 23.369 25.201 ( -12.436 3.499 -16.435) 20.904 31.012 ( 4.945 -0.669 0.376) 5.004 31.071 ( 10.445 -2.154 -2.660) 10.992 ======================= Grid point 422 (127/186) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 0.504 -13.320 24.189) 27.618 3.663 ( -4.162 -8.058 5.983) 10.865 4.049 ( -7.414 -15.988 -1.052) 17.655 4.304 ( 5.013 -8.803 -8.627) 13.306 5.404 ( 39.280 -13.748 14.425) 44.045 5.918 ( 34.485 -12.222 -6.892) 37.230 6.553 ( -2.561 2.297 4.219) 5.444 6.796 ( 1.528 -0.912 5.156) 5.454 7.139 ( 0.075 -23.294 -3.153) 23.507 7.694 ( 6.287 -16.068 -43.216) 46.533 8.855 ( -4.520 7.982 32.386) 33.660 9.994 ( -9.533 0.782 -12.014) 15.356 10.550 ( -7.035 17.188 16.616) 24.920 11.128 ( -19.888 12.569 -8.597) 25.049 12.081 ( 12.247 0.395 9.244) 15.349 13.157 ( 3.249 -2.248 -43.226) 43.406 16.069 ( -1.627 19.968 19.158) 27.720 16.475 ( -1.036 11.301 0.951) 11.388 19.487 ( -13.114 -3.758 8.466) 16.055 19.709 ( -14.679 -3.875 -2.956) 15.467 20.766 ( 1.913 0.155 3.433) 3.933 20.907 ( -1.563 -0.584 5.796) 6.032 20.994 ( 2.397 -4.117 -6.535) 8.087 21.165 ( -1.782 -5.081 -6.348) 8.323 22.699 ( 11.708 -1.771 6.722) 13.616 22.971 ( 8.381 -7.681 -5.037) 12.434 24.269 ( -4.873 3.545 20.262) 21.140 24.965 ( -17.332 4.505 -12.191) 21.663 31.097 ( 6.139 -1.979 1.524) 6.628 31.246 ( 15.501 -1.472 -6.180) 16.752 ======================= Grid point 423 (128/186) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( -0.037 -8.856 16.764) 18.959 3.706 ( -8.333 -6.148 -4.872) 11.444 4.283 ( 2.816 -8.739 8.941) 12.816 4.551 ( 4.892 -11.265 -5.906) 13.628 6.004 ( 28.637 -9.628 12.447) 32.676 6.360 ( 11.829 -10.289 7.317) 17.301 6.564 ( 11.239 0.544 18.712) 21.835 6.934 ( 15.584 -6.664 3.052) 17.222 7.655 ( 1.546 -30.087 -13.687) 33.090 8.056 ( 8.330 -15.365 -48.557) 51.607 8.797 ( -3.544 -5.806 23.650) 24.609 9.758 ( -14.266 11.998 -5.823) 19.529 10.177 ( -3.712 15.934 1.437) 16.423 10.638 ( -15.245 20.766 -11.124) 28.060 12.205 ( 4.382 -5.137 17.431) 18.693 13.214 ( 0.311 -1.320 -32.165) 32.193 15.669 ( -0.231 20.903 17.350) 27.167 16.190 ( -5.926 15.917 -5.649) 17.900 19.443 ( -10.952 -5.322 10.270) 15.929 19.670 ( -10.152 -5.543 -0.838) 11.597 20.782 ( 1.342 -0.169 4.727) 4.917 20.895 ( -1.892 -0.023 7.342) 7.581 21.087 ( 1.692 -3.665 -9.452) 10.278 21.224 ( -2.048 -3.478 -8.643) 9.539 22.875 ( 12.460 -3.304 10.016) 16.325 23.173 ( 6.579 -5.275 -2.571) 8.816 24.167 ( -3.699 2.171 15.670) 16.246 24.712 ( -15.997 4.081 -8.960) 18.784 31.197 ( 5.433 -2.149 2.562) 6.379 31.416 ( 13.338 -0.415 -8.350) 15.742 ======================= Grid point 424 (129/186) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( -0.045 -4.008 12.598) 13.220 3.732 ( -4.399 -3.730 -6.799) 8.915 4.412 ( 2.520 -2.951 9.466) 10.230 4.737 ( 1.790 -4.854 -6.391) 8.222 6.271 ( 7.833 -1.600 23.067) 24.413 6.461 ( -6.016 -3.320 25.813) 26.712 6.929 ( 27.855 -11.634 16.192) 34.255 7.279 ( 18.637 -6.793 -4.887) 20.429 8.156 ( -1.650 -23.756 -23.833) 33.691 8.402 ( 9.401 -11.096 -48.954) 51.068 8.908 ( -8.712 -10.050 12.948) 18.562 9.336 ( -9.223 17.563 1.901) 19.928 9.918 ( -3.164 8.925 -8.986) 13.055 10.122 ( -7.603 20.444 -11.620) 24.714 12.365 ( 1.840 -8.647 21.952) 23.665 13.185 ( -3.262 2.952 -17.364) 17.912 15.399 ( 5.777 10.086 8.541) 14.424 15.811 ( -10.664 15.022 -8.459) 20.272 19.446 ( -5.492 -3.908 11.806) 13.595 19.681 ( -4.918 -3.789 0.424) 6.223 20.801 ( 1.115 -0.524 5.980) 6.106 20.870 ( -1.682 0.562 7.896) 8.093 21.160 ( 1.400 -2.609 -11.170) 11.556 21.245 ( -1.873 -1.108 -10.284) 10.511 23.058 ( 10.285 -3.498 11.063) 15.505 23.271 ( 0.696 -0.993 3.107) 3.336 24.136 ( 0.616 -0.626 8.768) 8.812 24.500 ( -11.494 3.328 -6.590) 13.660 31.275 ( 3.119 -1.369 3.143) 4.635 31.527 ( 7.407 0.082 -9.113) 11.744 ======================= Grid point 425 (130/186) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( 0.000 -0.000 11.346) 11.346 3.744 ( 0.000 -0.000 -7.050) 7.050 4.451 ( 0.000 -0.000 8.736) 8.736 4.784 ( 0.000 -0.000 -6.742) 6.742 6.310 ( -0.000 -0.000 31.103) 31.103 6.463 ( 0.000 -0.000 28.787) 28.787 7.277 ( -0.000 0.000 9.436) 9.436 7.405 ( 0.000 -0.000 -2.039) 2.039 8.457 ( -0.000 0.000 -32.994) 32.994 8.495 ( 0.000 -0.000 -38.701) 38.701 8.993 ( 0.000 0.000 0.575) 0.575 9.049 ( -0.000 -0.000 1.440) 1.440 9.813 ( 0.000 0.000 -7.050) 7.050 9.874 ( -0.000 -0.000 -10.702) 10.702 12.482 ( -0.000 -0.000 22.693) 22.693 13.110 ( 0.000 -0.000 -8.196) 8.196 15.409 ( 0.000 -0.000 -0.782) 0.782 15.537 ( -0.000 0.000 -6.075) 6.075 19.456 ( 0.000 -0.000 12.267) 12.267 19.692 ( -0.000 0.000 0.880) 0.880 20.817 ( -0.000 0.000 6.651) 6.651 20.851 ( 0.000 -0.000 7.848) 7.848 21.199 ( 0.000 -0.000 -11.820) 11.820 21.238 ( -0.000 0.000 -10.798) 10.798 23.173 ( -0.000 0.000 10.104) 10.104 23.252 ( 0.000 -0.000 7.565) 7.565 24.164 ( 0.000 -0.000 4.499) 4.499 24.393 ( -0.000 -0.000 -5.182) 5.182 31.304 ( 0.000 -0.000 3.310) 3.310 31.564 ( 0.000 -0.000 -9.251) 9.251 ======================= Grid point 432 (131/186) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 11.717 -0.000 23.063) 25.869 3.360 ( 2.112 -0.000 20.455) 20.564 3.765 ( -13.463 0.000 -13.747) 19.241 4.145 ( 12.022 -0.000 -6.398) 13.618 5.091 ( 40.640 -0.000 14.887) 43.281 5.626 ( 43.744 -0.000 -9.135) 44.688 6.609 ( -7.916 0.000 4.073) 8.902 6.622 ( -9.416 0.000 -4.530) 10.449 7.000 ( 5.161 -0.000 -12.549) 13.569 7.270 ( 10.537 -0.000 -27.812) 29.741 9.211 ( -10.106 0.000 31.812) 33.378 9.861 ( -7.939 0.000 4.393) 9.074 10.875 ( -11.553 0.000 18.027) 21.411 11.254 ( -24.008 0.000 -2.672) 24.156 12.213 ( 18.439 -0.000 -5.081) 19.126 13.132 ( 7.252 -0.000 -50.797) 51.312 16.467 ( 0.414 -0.000 18.720) 18.724 16.684 ( -0.222 0.000 7.511) 7.514 19.402 ( -17.663 0.000 6.816) 18.933 19.617 ( -22.982 0.000 -4.548) 23.428 20.787 ( 3.685 -0.000 0.440) 3.711 20.883 ( 1.917 -0.000 -2.337) 3.023 20.911 ( 0.386 -0.000 1.782) 1.823 21.030 ( -2.167 0.000 -2.249) 3.123 22.741 ( 12.322 -0.000 -0.543) 12.334 22.741 ( 10.968 -0.000 -0.751) 10.994 24.346 ( -5.931 0.000 21.478) 22.281 25.054 ( -20.672 0.000 -11.509) 23.660 31.056 ( 6.097 -0.000 1.964) 6.406 31.235 ( 21.537 -0.000 -7.858) 22.926 ======================= Grid point 433 (132/186) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 19.043 -4.879 14.440) 24.391 3.460 ( -6.057 -11.204 0.279) 12.739 3.808 ( 11.169 -6.341 9.753) 16.127 4.322 ( 16.102 -2.175 -7.205) 17.774 5.628 ( 44.125 -8.649 17.185) 48.136 6.049 ( 18.463 -5.160 -2.060) 19.281 6.549 ( 3.526 -1.852 -5.663) 6.923 6.664 ( -2.707 -9.261 -3.555) 10.282 7.019 ( 9.307 0.857 -5.545) 10.868 7.518 ( 11.041 -11.854 -33.779) 37.462 8.977 ( -8.422 10.855 35.494) 38.061 9.828 ( -12.885 -5.319 2.126) 14.101 10.662 ( -14.194 7.998 11.985) 20.226 10.994 ( -24.300 1.701 -5.864) 25.056 12.317 ( 13.581 6.160 -0.510) 14.921 13.215 ( 9.121 0.619 -45.698) 46.603 16.338 ( -3.142 13.068 18.413) 22.796 16.626 ( -1.108 6.215 5.247) 8.209 19.235 ( -20.355 -3.994 6.687) 21.795 19.422 ( -22.348 -6.259 -2.678) 23.362 20.805 ( 2.607 1.399 0.621) 3.024 20.884 ( -1.363 -0.107 3.878) 4.112 20.957 ( 2.506 -2.690 -5.362) 6.501 21.053 ( -2.227 -4.564 -3.490) 6.162 22.830 ( 13.781 1.083 4.221) 14.454 22.954 ( 11.535 -5.529 -1.111) 12.840 24.259 ( -6.760 1.951 18.659) 19.941 24.820 ( -19.962 1.689 -7.369) 21.346 31.136 ( 7.334 -0.869 4.225) 8.508 31.461 ( 22.996 1.452 -12.843) 26.379 ======================= Grid point 434 (133/186) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( 22.102 -2.401 11.028) 24.817 3.607 ( 5.216 -6.060 -5.973) 9.981 4.147 ( 13.650 -12.832 14.568) 23.732 4.527 ( 16.022 -2.040 -5.619) 17.101 6.059 ( 1.085 -4.906 9.370) 10.632 6.283 ( 17.540 -9.595 11.077) 22.856 6.716 ( 15.149 -2.121 3.932) 15.794 6.844 ( 2.373 -12.852 -0.160) 13.070 7.317 ( 18.203 -15.420 -11.797) 26.614 7.882 ( 12.446 -14.406 -40.219) 44.497 8.758 ( -3.900 5.007 31.587) 32.218 9.724 ( -15.296 1.349 -1.717) 15.451 10.336 ( -13.154 11.143 5.830) 18.198 10.679 ( -21.809 6.913 -10.383) 25.125 12.314 ( 9.631 5.765 9.540) 14.731 13.289 ( 10.048 2.302 -37.684) 39.068 15.969 ( -9.196 18.773 17.170) 27.052 16.396 ( -7.412 14.896 -1.667) 16.721 19.166 ( -15.828 -9.732 9.961) 21.082 19.403 ( -12.905 -10.976 -1.359) 16.995 20.802 ( 1.286 0.864 2.329) 2.797 20.874 ( -1.312 -0.223 5.963) 6.110 21.034 ( 1.231 -3.673 -8.342) 9.198 21.124 ( -1.890 -5.042 -6.089) 8.128 22.966 ( 11.963 -1.086 8.119) 14.499 23.151 ( 7.162 -4.792 0.451) 8.629 24.160 ( -4.602 1.767 14.756) 15.558 24.605 ( -13.989 2.384 -5.969) 15.395 31.225 ( 6.292 -0.872 5.806) 8.606 31.630 ( 18.953 4.022 -14.650) 24.290 ======================= Grid point 435 (134/186) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( 21.812 4.035 10.368) 24.485 3.788 ( 17.360 -0.150 -6.044) 18.383 4.426 ( 10.396 -3.142 10.336) 14.993 4.723 ( 12.240 -2.689 -4.885) 13.451 6.131 ( -10.479 -10.940 20.423) 25.428 6.455 ( 5.667 1.428 13.455) 14.670 6.985 ( 15.811 -7.817 12.561) 21.654 7.217 ( 9.100 -18.183 -2.611) 20.500 7.744 ( 3.481 -17.002 -13.626) 22.065 8.256 ( 7.458 -13.561 -42.649) 45.370 8.699 ( -6.312 -2.771 16.963) 18.310 9.486 ( -8.875 9.463 -5.280) 14.007 10.034 ( -8.275 9.117 0.343) 12.317 10.318 ( -12.964 12.037 -13.683) 22.365 12.366 ( 11.308 -0.744 20.027) 23.011 13.323 ( 10.947 6.530 -24.660) 27.760 15.557 ( -11.996 12.117 10.142) 19.839 15.961 ( -16.121 18.148 -6.551) 25.143 19.248 ( -6.917 -11.137 12.707) 18.258 19.515 ( -4.018 -10.038 -0.196) 10.814 20.805 ( 0.650 -0.082 4.266) 4.316 20.862 ( -0.957 0.212 7.166) 7.232 21.112 ( 0.668 -3.757 -10.538) 11.208 21.183 ( -1.716 -3.449 -8.341) 9.188 23.103 ( 7.788 -2.465 9.647) 12.641 23.246 ( -0.425 -1.445 4.657) 4.895 24.125 ( -0.088 -0.785 9.179) 9.213 24.452 ( -6.550 2.622 -5.544) 8.973 31.287 ( 3.469 -0.252 6.309) 7.204 31.701 ( 12.777 6.117 -14.016) 19.928 ======================= Grid point 436 (135/186) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( 22.624 8.592 11.192) 26.663 3.938 ( 21.868 6.226 -5.774) 23.459 4.508 ( 7.352 2.890 7.793) 11.097 4.837 ( 8.619 1.816 -6.890) 11.183 6.192 ( -10.530 -6.722 32.831) 35.127 6.506 ( 7.361 -0.354 20.832) 22.097 7.201 ( -5.170 -4.993 5.676) 9.158 7.394 ( -9.259 3.711 4.178) 10.815 8.109 ( -2.868 -26.886 -16.655) 31.756 8.471 ( -1.424 -7.133 -43.491) 44.096 8.702 ( -13.531 -8.407 1.954) 16.049 9.292 ( 7.337 8.089 -10.191) 14.938 9.845 ( -1.617 6.672 -4.379) 8.143 10.020 ( -2.146 11.494 -10.942) 16.014 12.567 ( 17.901 -2.348 24.322) 30.291 13.271 ( 11.321 10.384 -8.515) 17.564 15.322 ( -17.269 1.530 -0.387) 17.341 15.522 ( -13.102 6.342 -8.172) 16.693 19.388 ( -0.179 -7.625 13.404) 15.422 19.655 ( 2.283 -5.863 0.543) 6.315 20.813 ( -0.299 -0.218 6.648) 6.659 20.853 ( 0.375 0.057 6.890) 6.900 21.175 ( -0.410 -2.354 -11.110) 11.364 21.217 ( -0.381 -1.985 -10.588) 10.779 23.171 ( -3.654 1.542 10.199) 10.943 23.232 ( -0.241 -1.860 7.238) 7.477 24.153 ( -0.120 -0.671 5.724) 5.764 24.407 ( 3.801 -0.506 -5.770) 6.927 31.301 ( -0.197 0.677 5.879) 5.921 31.676 ( 6.271 7.346 -12.262) 15.610 ======================= Grid point 437 (136/186) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.623 ( 24.005 12.853 13.415) 30.354 4.010 ( 20.582 9.872 -3.343) 23.071 4.496 ( 5.831 5.679 7.108) 10.806 4.853 ( 7.737 5.626 -8.868) 13.044 6.168 ( -10.280 -1.747 30.544) 32.275 6.568 ( 4.019 1.929 22.030) 22.477 6.834 ( -34.241 13.300 16.405) 40.230 7.158 ( -24.136 5.172 -0.756) 24.696 8.381 ( -7.718 -2.481 -41.915) 42.691 8.493 ( 1.071 6.210 -42.662) 43.125 8.903 ( 1.561 -25.103 16.224) 29.930 9.290 ( 10.021 8.846 2.845) 13.666 9.823 ( 0.747 -9.486 -12.523) 15.728 9.888 ( 1.316 1.103 -12.245) 12.365 12.643 ( 13.555 14.224 22.947) 30.210 13.298 ( 17.331 2.848 -7.705) 19.179 15.083 ( -23.553 -6.571 7.013) 25.438 15.594 ( -0.780 -15.124 -13.571) 20.335 19.505 ( 4.175 -2.972 12.830) 13.815 19.761 ( 5.735 -1.197 0.368) 5.871 20.801 ( -0.976 0.582 7.593) 7.678 20.874 ( 1.598 -0.902 6.842) 7.083 21.175 ( -1.557 0.694 -10.477) 10.615 21.258 ( 1.354 -1.467 -11.962) 12.127 23.031 ( -9.083 4.631 12.584) 16.196 23.260 ( -2.183 -0.672 2.564) 3.434 24.143 ( 0.380 0.664 9.113) 9.145 24.540 ( 10.089 -4.851 -8.243) 13.902 31.259 ( -3.674 1.646 4.899) 6.342 31.571 ( 0.476 7.842 -10.098) 12.795 ======================= Grid point 438 (137/186) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.600 ( 24.522 17.799 18.393) 35.446 4.002 ( 14.075 11.016 2.789) 18.090 4.424 ( 3.237 7.806 5.380) 10.018 4.782 ( 9.568 12.323 -10.338) 18.716 5.885 ( -31.477 11.862 11.198) 35.453 6.326 ( -27.517 9.717 2.813) 29.318 6.463 ( -11.273 0.596 20.221) 23.158 6.880 ( -7.410 1.471 22.936) 24.148 8.188 ( 0.499 22.447 -32.152) 39.215 8.234 ( -4.469 14.023 -44.241) 46.625 9.040 ( 3.978 15.622 15.323) 22.241 9.525 ( 7.013 -27.899 12.429) 31.337 9.938 ( -0.221 -7.917 -17.808) 19.490 10.267 ( 4.805 -28.711 -12.902) 31.841 12.432 ( 5.889 17.527 21.117) 28.068 13.360 ( 11.239 8.786 -24.403) 28.267 15.198 ( -11.316 -24.940 20.109) 33.977 15.918 ( 0.920 -18.619 -11.840) 22.084 19.583 ( 6.434 0.298 11.324) 13.027 19.821 ( 7.084 1.555 -0.734) 7.290 20.779 ( -0.888 0.681 6.840) 6.931 20.907 ( 1.657 -0.731 7.278) 7.499 21.129 ( -1.405 2.652 -9.747) 10.199 21.282 ( 1.537 0.719 -11.066) 11.196 22.842 ( -9.026 5.430 12.770) 16.554 23.197 ( -4.740 3.540 -3.051) 6.656 24.164 ( 2.468 -1.445 15.316) 15.581 24.757 ( 11.038 -6.637 -11.694) 17.396 31.172 ( -5.877 2.337 3.787) 7.372 31.412 ( -3.364 7.790 -7.739) 11.484 ======================= Grid point 439 (138/186) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( 16.221 24.139 27.868) 40.280 3.893 ( 3.747 11.218 12.344) 17.096 4.271 ( -3.782 7.887 0.839) 8.787 4.640 ( 19.091 18.179 -18.602) 32.264 5.301 ( -29.795 13.795 9.728) 34.245 5.808 ( -28.603 11.858 -10.053) 32.555 6.467 ( -1.957 -5.910 15.440) 16.648 6.841 ( 1.475 2.665 22.001) 22.211 7.666 ( 1.147 31.647 -10.921) 33.498 7.938 ( -3.121 15.499 -50.352) 52.776 8.850 ( 1.420 5.407 24.332) 24.965 9.994 ( 7.612 -8.811 -17.763) 21.239 10.187 ( -1.801 -24.656 13.387) 28.113 10.858 ( 5.398 -29.163 -12.058) 32.016 12.166 ( -0.242 14.893 17.793) 23.205 13.251 ( 2.104 8.922 -36.692) 37.819 15.636 ( -1.796 -27.701 22.391) 35.664 16.240 ( 0.301 -15.602 -5.152) 16.433 19.628 ( 5.383 1.495 9.677) 11.173 19.862 ( 6.237 1.431 -2.736) 6.959 20.758 ( -0.742 0.669 5.678) 5.765 20.929 ( 1.093 0.059 7.036) 7.121 21.052 ( -1.220 4.211 -7.872) 9.010 21.259 ( 1.033 3.377 -9.127) 9.787 22.667 ( -6.072 4.808 10.605) 13.132 23.049 ( -3.897 7.379 -6.406) 10.520 24.238 ( 2.244 -3.657 20.044) 20.498 24.990 ( 8.356 -7.484 -15.260) 18.939 31.066 ( -5.385 2.433 2.885) 6.576 31.237 ( -3.646 7.097 -5.284) 9.570 ======================= Grid point 440 (139/186) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 0.000 22.031 34.792) 41.180 3.677 ( 0.000 14.157 19.076) 23.755 4.128 ( 0.000 5.342 -2.175) 5.767 4.466 ( 0.000 15.645 -31.814) 35.452 4.883 ( 0.000 12.291 14.409) 18.939 5.372 ( 0.000 17.479 -6.856) 18.776 6.597 ( -0.000 -8.803 1.640) 8.954 6.788 ( 0.000 3.363 11.610) 12.088 7.157 ( 0.000 23.737 -0.481) 23.742 7.625 ( 0.000 16.784 -45.054) 48.079 8.907 ( -0.000 -9.894 31.745) 33.252 10.094 ( -0.000 -0.046 -17.228) 17.228 10.621 ( -0.000 -20.450 22.644) 30.512 11.384 ( -0.000 -23.748 -13.347) 27.242 11.905 ( 0.000 12.110 14.563) 18.940 13.129 ( 0.000 5.013 -45.823) 46.096 16.079 ( -0.000 -20.850 20.071) 28.941 16.479 ( -0.000 -10.664 1.882) 10.829 19.633 ( 0.000 1.398 8.784) 8.894 19.886 ( 0.000 0.239 -4.909) 4.915 20.741 ( 0.000 0.611 4.330) 4.373 20.927 ( 0.000 0.634 6.155) 6.187 20.960 ( 0.000 4.880 -5.633) 7.452 21.185 ( 0.000 5.060 -6.586) 8.305 22.565 ( 0.000 2.411 6.461) 6.896 22.875 ( 0.000 8.873 -6.958) 11.276 24.324 ( -0.000 -4.114 22.584) 22.956 25.170 ( -0.000 -6.688 -17.697) 18.918 30.995 ( 0.000 1.679 1.972) 2.590 31.101 ( 0.000 5.308 -3.143) 6.169 ======================= Grid point 443 (140/186) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 27.005 -0.000 4.103) 27.315 3.282 ( -1.079 0.000 4.985) 5.100 3.971 ( 25.090 -0.000 14.680) 29.068 4.531 ( 25.861 -0.000 -8.396) 27.190 5.983 ( 36.132 -0.000 16.056) 39.539 6.047 ( -9.312 0.000 0.032) 9.312 6.451 ( -3.705 0.000 -0.284) 3.716 6.782 ( 27.561 -0.000 -13.920) 30.876 7.110 ( 5.694 -0.000 -8.677) 10.379 7.557 ( 18.651 -0.000 -28.628) 34.168 9.009 ( -6.370 0.000 37.210) 37.751 9.608 ( -16.789 0.000 10.804) 19.965 10.576 ( -15.799 0.000 5.245) 16.647 10.751 ( -24.768 0.000 -7.229) 25.802 12.485 ( 6.786 -0.000 -1.872) 7.040 13.332 ( 11.633 -0.000 -45.047) 46.525 16.457 ( -2.025 0.000 17.851) 17.966 16.658 ( -2.700 0.000 8.317) 8.745 18.978 ( -21.398 0.000 4.174) 21.801 19.083 ( -26.020 0.000 -1.657) 26.073 20.851 ( 2.332 -0.000 -1.501) 2.774 20.871 ( -1.485 0.000 2.709) 3.089 20.958 ( 2.439 -0.000 -5.319) 5.852 20.975 ( -2.850 0.000 -1.352) 3.155 22.987 ( 8.651 -0.000 5.820) 10.427 23.011 ( 13.523 -0.000 2.805) 13.811 24.205 ( -6.684 0.000 16.221) 17.544 24.654 ( -13.787 0.000 -5.690) 14.915 31.212 ( 8.316 -0.000 7.400) 11.132 31.719 ( 22.719 -0.000 -18.653) 29.395 ======================= Grid point 444 (141/186) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( 14.954 -8.354 7.218) 18.588 3.539 ( 23.356 -9.238 -0.547) 25.122 4.254 ( 28.625 0.112 17.506) 33.554 4.794 ( 29.625 3.829 -8.509) 31.060 5.899 ( -16.405 -0.822 2.967) 16.691 6.269 ( 0.971 -10.101 -5.317) 11.456 6.603 ( 15.122 -6.948 14.472) 22.055 6.971 ( 15.462 4.639 -0.853) 16.166 7.294 ( 14.431 -10.004 -15.427) 23.373 7.843 ( 19.567 -7.251 -29.074) 35.787 8.871 ( -0.592 9.562 33.664) 35.000 9.507 ( -15.895 -6.815 9.996) 19.976 10.341 ( -15.891 7.033 2.043) 17.497 10.514 ( -20.644 0.045 -10.275) 23.060 12.478 ( 1.327 3.797 4.455) 6.002 13.450 ( 13.328 1.037 -42.132) 44.202 16.208 ( -9.817 19.005 18.529) 28.300 16.562 ( -5.503 9.262 2.917) 11.161 18.808 ( -18.994 -7.804 7.789) 21.962 19.015 ( -15.786 -14.773 -1.832) 21.698 20.832 ( -0.552 1.571 2.218) 2.773 20.869 ( 0.625 0.349 1.263) 1.452 20.978 ( -1.095 -2.986 -4.269) 5.323 21.023 ( 0.151 -4.116 -5.817) 7.128 23.046 ( 3.926 -0.519 10.895) 11.592 23.161 ( 8.538 -2.182 3.943) 9.654 24.138 ( -3.906 0.808 13.541) 14.116 24.545 ( -4.610 1.844 -7.329) 8.852 31.293 ( 7.340 0.297 9.624) 12.107 31.901 ( 18.329 3.606 -20.747) 27.918 ======================= Grid point 445 (142/186) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.760 ( 24.053 -4.142 7.945) 25.668 3.957 ( 25.920 -7.033 -2.454) 26.969 4.538 ( 24.077 -0.782 16.374) 29.128 4.982 ( 28.053 7.983 -7.624) 30.147 5.796 ( -16.840 -7.944 11.818) 22.053 6.455 ( -2.693 -10.486 -10.876) 15.346 6.832 ( 2.462 -9.804 5.582) 11.547 7.098 ( 11.453 -4.223 22.783) 25.847 7.602 ( 5.909 -8.475 -18.225) 20.950 8.108 ( 1.914 -7.049 -26.809) 27.787 8.689 ( -4.115 7.073 16.790) 18.678 9.495 ( -3.810 -1.286 -3.919) 5.615 10.080 ( -7.395 5.657 4.822) 10.485 10.318 ( -11.473 3.232 -12.994) 17.633 12.455 ( 3.683 -0.929 16.381) 16.815 13.574 ( 17.472 2.955 -33.973) 38.317 15.672 ( -19.104 20.816 15.737) 32.340 16.165 ( -14.341 21.833 -5.768) 26.751 18.906 ( -8.865 -17.099 13.654) 23.609 19.218 ( -5.077 -17.802 -1.515) 18.574 20.808 ( -0.559 0.331 4.468) 4.515 20.865 ( 0.407 0.587 2.957) 3.042 21.038 ( -0.852 -4.426 -6.933) 8.270 21.099 ( -0.412 -4.165 -8.123) 9.138 23.092 ( -1.187 -3.004 13.128) 13.519 23.239 ( 2.263 0.117 5.411) 5.866 24.115 ( 0.594 -0.411 10.257) 10.283 24.483 ( 1.801 3.524 -8.348) 9.238 31.342 ( 4.824 1.358 10.465) 11.603 31.963 ( 12.756 7.183 -19.828) 24.647 ======================= Grid point 446 (143/186) ======================= q-point: ( 0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.019 ( 29.178 5.883 9.283) 31.179 4.260 ( 21.600 1.614 -1.394) 21.705 4.738 ( 22.404 5.446 8.513) 24.578 5.094 ( 24.394 9.266 -8.910) 27.574 5.860 ( -12.979 -15.018 27.880) 34.224 6.558 ( 2.574 -2.276 5.212) 6.243 7.009 ( -7.805 -7.633 -0.204) 10.919 7.323 ( -6.522 -4.515 18.034) 19.701 7.605 ( -15.518 -11.760 -0.707) 19.484 8.248 ( -2.635 -13.399 -39.282) 41.588 8.509 ( -14.631 3.585 -1.085) 15.103 9.459 ( 4.158 3.344 -21.660) 22.307 9.977 ( 1.780 6.709 1.007) 7.014 10.177 ( 1.062 6.463 -8.455) 10.695 12.658 ( 16.367 -10.579 26.945) 33.254 13.658 ( 20.698 11.731 -13.972) 27.591 15.173 ( -23.569 7.531 2.495) 24.868 15.567 ( -21.288 20.686 -10.826) 31.595 19.167 ( -1.376 -15.996 15.715) 22.466 19.501 ( 1.826 -14.184 -0.477) 14.308 20.804 ( -0.463 -0.274 6.662) 6.684 20.861 ( 0.520 0.299 4.116) 4.160 21.109 ( -0.924 -4.047 -8.563) 9.516 21.163 ( -0.243 -3.405 -10.579) 11.116 23.118 ( -5.453 -2.560 12.230) 13.633 23.216 ( -1.269 1.572 7.050) 7.333 24.153 ( 2.778 -0.891 7.208) 7.777 24.463 ( 5.233 1.958 -7.719) 9.529 31.340 ( 1.665 2.645 10.084) 10.557 31.911 ( 7.385 9.790 -17.431) 21.312 ======================= Grid point 447 (144/186) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.154 ( 26.638 10.897 10.333) 30.580 4.353 ( 14.119 7.098 2.887) 16.064 4.803 ( 21.643 12.932 4.801) 25.665 5.172 ( 27.337 10.855 -10.871) 31.358 5.982 ( -8.878 -8.362 33.702) 35.841 6.571 ( -13.667 1.078 7.847) 15.796 6.753 ( -24.923 14.173 18.840) 34.307 6.993 ( -23.438 4.527 6.872) 24.840 8.040 ( -4.550 -27.324 -25.293) 37.511 8.412 ( -8.419 -14.967 10.287) 20.018 8.482 ( 0.424 -10.993 -44.448) 45.789 9.491 ( 8.300 0.335 -22.962) 24.418 9.810 ( -2.573 10.227 -2.822) 10.917 10.059 ( 4.715 10.661 -6.475) 13.335 13.061 ( 28.107 1.634 27.376) 39.270 13.580 ( 15.354 9.393 7.427) 19.472 14.796 ( -28.300 9.378 -3.858) 30.062 15.258 ( -13.534 -12.533 -20.224) 27.373 19.417 ( 2.195 -10.615 15.420) 18.849 19.738 ( 4.387 -7.882 -0.051) 9.021 20.800 ( -0.586 0.234 8.227) 8.251 20.872 ( 0.985 -0.730 4.894) 5.045 21.151 ( -1.246 -1.740 -9.016) 9.267 21.224 ( 0.583 -3.186 -12.645) 13.053 23.034 ( -6.388 4.022 12.733) 14.803 23.206 ( -2.642 -1.875 4.358) 5.430 24.175 ( 2.192 1.248 8.059) 8.445 24.541 ( 6.379 -3.744 -8.375) 11.174 31.283 ( -1.080 3.749 8.892) 9.710 31.771 ( 2.902 11.235 -14.449) 18.532 ======================= Grid point 448 (145/186) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.174 ( 15.641 10.847 12.175) 22.594 4.338 ( 17.198 11.949 6.979) 22.074 4.674 ( 5.444 18.860 10.052) 22.054 5.255 ( 31.980 14.822 -9.517) 36.510 5.801 ( -24.120 11.855 4.592) 27.265 6.185 ( -31.071 8.244 -0.145) 32.147 6.341 ( -16.684 2.509 25.045) 30.197 6.841 ( -0.991 -0.812 29.898) 29.925 8.248 ( -3.575 -3.732 -45.568) 45.860 8.536 ( 1.693 6.851 -42.298) 42.883 8.935 ( 0.643 -35.930 19.678) 40.971 9.423 ( 3.174 18.764 9.988) 21.493 9.818 ( -0.786 -19.820 -21.083) 28.947 9.929 ( 1.738 5.301 -13.462) 14.572 12.906 ( 8.497 25.773 23.763) 36.071 13.745 ( 22.267 13.116 -13.847) 29.319 14.556 ( -24.034 -24.241 20.633) 39.887 15.533 ( -3.013 -22.401 -20.350) 30.414 19.586 ( 2.611 -5.198 13.684) 14.869 19.870 ( 3.443 -2.435 -0.510) 4.248 20.786 ( -0.398 0.719 8.161) 8.202 20.901 ( 0.827 -1.275 6.134) 6.320 21.149 ( -0.767 0.721 -9.446) 9.504 21.281 ( 0.657 -2.011 -12.672) 12.847 22.881 ( -4.284 6.159 13.899) 15.794 23.197 ( -2.386 0.429 -0.888) 2.582 24.173 ( 1.395 0.448 12.782) 12.865 24.705 ( 4.688 -7.434 -11.385) 14.382 31.191 ( -2.131 4.335 7.298) 8.751 31.578 ( 0.117 11.382 -11.238) 15.995 ======================= Grid point 449 (146/186) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.087 ( 0.000 8.992 13.814) 16.483 4.106 ( 0.000 32.498 28.413) 43.168 4.358 ( 0.000 6.443 -1.372) 6.588 5.234 ( 0.000 25.088 -26.395) 36.416 5.294 ( 0.000 10.454 11.751) 15.728 5.799 ( 0.000 6.879 -11.965) 13.801 6.350 ( -0.000 -5.193 29.121) 29.580 6.866 ( -0.000 -0.887 31.642) 31.654 8.161 ( 0.000 9.953 -52.637) 53.569 8.224 ( 0.000 26.766 -23.783) 35.806 9.080 ( 0.000 17.782 15.354) 23.493 9.595 ( -0.000 -34.757 19.657) 39.931 9.935 ( -0.000 -4.368 -24.555) 24.940 10.312 ( -0.000 -31.511 -13.804) 34.402 12.509 ( 0.000 21.498 21.083) 30.111 13.507 ( 0.000 17.150 -29.426) 34.059 15.054 ( -0.000 -34.224 27.117) 43.665 15.915 ( -0.000 -20.258 -13.068) 24.108 19.658 ( -0.000 -1.202 11.411) 11.474 19.906 ( 0.000 0.208 -1.643) 1.657 20.769 ( 0.000 0.832 7.233) 7.281 20.927 ( -0.000 -0.864 7.002) 7.056 21.112 ( 0.000 2.834 -9.022) 9.457 21.300 ( 0.000 0.513 -11.360) 11.371 22.741 ( 0.000 6.414 13.396) 14.852 23.139 ( 0.000 4.409 -4.948) 6.627 24.195 ( -0.000 -2.016 17.463) 17.579 24.881 ( -0.000 -8.604 -14.455) 16.821 31.099 ( 0.000 3.993 5.434) 6.744 31.379 ( 0.000 10.036 -8.026) 12.851 ======================= Grid point 454 (147/186) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( 13.687 -0.000 15.109) 20.387 3.761 ( 29.370 -0.000 -3.923) 29.630 4.603 ( 33.073 -0.000 18.193) 37.747 5.186 ( 35.749 -0.000 -9.755) 37.056 5.723 ( -16.511 0.000 -1.552) 16.583 6.069 ( -12.907 0.000 -13.006) 18.323 6.747 ( 16.047 -0.000 24.711) 29.464 7.227 ( 14.033 -0.000 -18.112) 22.912 7.235 ( 5.064 -0.000 -3.354) 6.074 7.984 ( 15.901 -0.000 -21.570) 26.798 9.067 ( 11.818 -0.000 28.284) 30.654 9.208 ( -18.893 0.000 13.230) 23.065 10.274 ( -18.749 0.000 -8.281) 20.496 10.297 ( -9.928 0.000 -1.160) 9.995 12.461 ( -9.275 0.000 6.620) 11.396 13.589 ( 12.716 -0.000 -45.690) 47.426 16.366 ( -6.809 0.000 17.179) 18.480 16.569 ( -5.611 0.000 8.851) 10.480 18.589 ( -15.298 0.000 2.936) 15.577 18.630 ( -16.945 0.000 0.117) 16.946 20.840 ( -1.400 0.000 2.592) 2.946 20.883 ( 0.726 -0.000 -1.944) 2.075 20.923 ( -1.819 0.000 -1.009) 2.081 20.996 ( 1.284 -0.000 -6.749) 6.870 23.032 ( -3.426 0.000 16.829) 17.174 23.234 ( 7.119 -0.000 4.762) 8.565 24.117 ( -1.102 0.000 12.467) 12.516 24.565 ( 3.813 -0.000 -11.241) 11.871 31.372 ( 6.756 -0.000 12.418) 14.137 32.108 ( 14.535 -0.000 -23.754) 27.848 ======================= Grid point 455 (148/186) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.749 ( 19.101 -15.642 16.637) 29.771 4.115 ( 27.469 -5.437 -3.538) 28.225 4.870 ( 24.500 3.435 18.738) 31.035 5.452 ( 23.897 7.652 -10.031) 27.023 5.594 ( -0.887 0.527 0.853) 1.338 6.080 ( -10.435 -14.653 -18.536) 25.830 6.858 ( 7.040 0.822 23.688) 24.725 7.173 ( 2.943 4.190 9.198) 10.527 7.493 ( 5.495 -9.772 -21.543) 24.286 8.038 ( -8.179 1.473 -11.733) 14.378 8.842 ( -4.058 13.554 8.814) 16.669 9.370 ( 0.467 -10.207 -0.855) 10.254 10.116 ( 0.806 2.822 3.542) 4.600 10.243 ( -4.689 -1.282 -5.332) 7.216 12.362 ( -12.101 -3.964 16.254) 20.648 13.741 ( 14.222 -2.397 -45.353) 47.591 15.956 ( -13.353 27.673 19.981) 36.652 16.411 ( -8.171 15.318 -0.403) 17.365 18.507 ( -10.039 -13.069 10.977) 19.801 18.784 ( -6.976 -21.931 -2.184) 23.118 20.810 ( -1.052 0.946 4.053) 4.293 20.889 ( 0.856 0.918 -1.417) 1.893 20.943 ( -1.653 -4.035 -2.262) 4.912 21.036 ( 0.572 -2.836 -8.140) 8.639 23.003 ( -5.308 -2.067 19.212) 20.038 23.278 ( 2.291 0.932 4.961) 5.543 24.124 ( 2.172 -0.256 11.231) 11.442 24.595 ( 6.651 3.105 -13.011) 14.939 31.421 ( 4.831 1.391 13.699) 14.593 32.192 ( 9.981 4.602 -23.674) 26.101 ======================= Grid point 456 (149/186) ======================= q-point: ( 0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.256 ( 23.929 -10.602 10.580) 28.230 4.441 ( 18.115 -2.743 0.136) 18.322 5.033 ( 10.478 -4.312 17.916) 21.198 5.451 ( 9.574 4.450 -1.356) 10.645 5.711 ( 25.167 5.192 2.351) 25.804 6.315 ( -8.528 -17.894 -18.074) 26.826 6.911 ( 4.626 -0.906 9.288) 10.416 7.141 ( -5.348 -3.536 28.012) 28.736 7.446 ( -23.823 11.468 6.303) 27.181 7.981 ( -3.603 -12.102 -34.997) 37.205 8.521 ( -13.066 13.374 -2.415) 18.853 9.480 ( -0.035 -3.709 -26.244) 26.505 10.102 ( 2.285 4.389 5.293) 7.246 10.301 ( 11.834 0.946 -3.814) 12.469 12.465 ( -2.134 -17.872 29.820) 34.831 13.981 ( 20.636 -3.512 -36.135) 41.760 15.240 ( -20.988 28.780 17.038) 39.486 15.863 ( -13.064 30.206 -9.688) 34.306 18.791 ( -2.858 -22.234 16.823) 28.027 19.171 ( -0.423 -22.868 -1.885) 22.949 20.795 ( -0.512 -0.122 6.156) 6.178 20.877 ( 0.481 0.931 0.569) 1.192 21.015 ( -1.018 -5.011 -4.969) 7.130 21.098 ( 0.072 -3.499 -10.246) 10.827 23.002 ( -4.947 -3.513 17.607) 18.623 23.247 ( -0.968 2.837 5.793) 6.522 24.168 ( 3.375 -1.122 9.007) 9.683 24.585 ( 5.590 4.711 -11.707) 13.802 31.417 ( 2.388 3.143 13.542) 14.105 32.151 ( 5.763 8.643 -21.703) 24.061 ======================= Grid point 457 (150/186) ======================= q-point: ( 0.60 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.444 ( 7.871 5.396 5.166) 10.851 4.606 ( 13.674 3.674 0.258) 14.161 5.253 ( 12.005 -3.077 16.445) 20.591 5.586 ( 24.136 0.304 7.293) 25.215 5.874 ( 21.805 4.244 7.456) 23.432 6.345 ( -26.514 -0.849 -2.847) 26.680 6.790 ( -25.605 16.989 18.710) 35.976 6.913 ( -5.014 5.066 10.367) 12.581 7.437 ( -3.410 -30.006 -2.110) 30.272 8.186 ( -8.403 1.269 5.073) 9.897 8.259 ( -0.907 -13.209 -46.147) 48.009 9.528 ( 1.374 -0.972 -38.777) 38.814 9.998 ( 0.770 9.002 7.358) 11.652 10.305 ( 5.854 9.489 -6.034) 12.678 12.971 ( 10.916 -31.044 35.882) 48.687 14.092 ( 17.408 26.659 10.983) 33.681 14.727 ( -15.281 -6.058 -21.166) 26.799 15.143 ( -16.345 30.137 -15.667) 37.694 19.162 ( 0.238 -18.800 17.777) 25.875 19.546 ( 1.614 -16.895 -0.901) 16.995 20.796 ( -0.228 -0.216 7.874) 7.880 20.871 ( 0.343 0.010 2.395) 2.419 21.090 ( -0.606 -3.880 -6.952) 7.985 21.163 ( 0.081 -3.713 -12.248) 12.798 23.012 ( -3.235 -1.402 14.280) 14.708 23.181 ( -1.375 2.104 6.413) 6.888 24.213 ( 2.055 -0.092 7.135) 7.426 24.565 ( 3.119 1.524 -9.333) 9.958 31.360 ( 0.408 4.585 12.260) 13.095 32.008 ( 2.258 11.415 -18.740) 22.059 ======================= Grid point 458 (151/186) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.364 ( 0.000 6.716 8.318) 10.691 4.581 ( 0.000 6.001 -2.327) 6.437 5.214 ( 0.000 21.808 20.550) 29.965 5.671 ( 0.000 10.036 7.285) 12.401 5.969 ( 0.000 3.144 4.241) 5.279 6.032 ( 0.000 6.834 -10.682) 12.681 6.298 ( 0.000 11.569 24.733) 27.305 6.841 ( 0.000 1.583 22.994) 23.048 7.976 ( -0.000 -24.747 -32.252) 40.652 8.331 ( -0.000 -25.132 23.804) 34.615 8.499 ( -0.000 -9.883 -51.134) 52.081 9.578 ( -0.000 -5.508 -36.683) 37.094 9.777 ( 0.000 15.877 9.394) 18.448 10.120 ( 0.000 12.499 -6.842) 14.249 13.513 ( 0.000 34.536 26.315) 43.419 13.711 ( -0.000 -38.403 34.929) 51.912 14.416 ( 0.000 32.552 -19.072) 37.728 15.076 ( -0.000 -24.658 -29.988) 38.824 19.445 ( -0.000 -11.893 16.331) 20.203 19.790 ( -0.000 -8.816 -0.415) 8.826 20.794 ( 0.000 0.343 8.554) 8.561 20.883 ( -0.000 -1.022 4.336) 4.455 21.137 ( -0.000 -1.644 -8.465) 8.623 21.231 ( -0.000 -3.536 -13.147) 13.614 22.962 ( 0.000 4.550 13.450) 14.199 23.171 ( -0.000 -1.332 3.431) 3.680 24.204 ( 0.000 1.762 8.831) 9.005 24.612 ( -0.000 -4.678 -9.430) 10.527 31.270 ( 0.000 5.148 10.148) 11.379 31.799 ( 0.000 12.461 -15.163) 19.626 ======================= Grid point 465 (152/186) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( 18.015 -0.000 25.971) 31.607 4.344 ( 26.462 -0.000 -5.068) 26.943 4.988 ( -5.113 0.000 9.032) 10.378 5.614 ( -12.331 0.000 -20.581) 23.993 5.695 ( 21.801 -0.000 3.165) 22.029 6.031 ( 25.506 -0.000 -7.713) 26.646 6.914 ( 1.818 -0.000 37.097) 37.141 7.265 ( -0.971 0.000 -7.005) 7.072 7.426 ( 6.276 -0.000 -18.587) 19.618 7.921 ( -20.165 0.000 -1.898) 20.254 9.017 ( -0.193 0.000 -8.556) 8.558 9.177 ( -7.615 0.000 -3.119) 8.229 10.191 ( -0.949 0.000 5.004) 5.094 10.248 ( 18.953 -0.000 1.378) 19.003 12.132 ( -20.729 0.000 22.636) 30.694 13.826 ( 9.394 -0.000 -52.488) 53.322 16.203 ( -7.692 0.000 18.430) 19.971 16.457 ( -4.432 0.000 8.438) 9.531 18.364 ( -6.768 0.000 3.350) 7.552 18.391 ( -6.872 0.000 0.931) 6.935 20.817 ( -0.795 0.000 2.408) 2.536 20.872 ( -1.034 0.000 0.314) 1.081 20.915 ( 0.361 -0.000 -3.235) 3.255 21.013 ( 0.506 -0.000 -7.382) 7.399 22.930 ( -4.745 0.000 22.503) 22.997 23.304 ( 0.672 -0.000 4.291) 4.343 24.148 ( 2.824 -0.000 11.947) 12.276 24.698 ( 6.608 -0.000 -15.899) 17.218 31.479 ( 3.523 -0.000 15.465) 15.861 32.320 ( 6.402 -0.000 -24.964) 25.772 ======================= Grid point 466 (153/186) ======================= q-point: ( 0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.147 ( 16.299 -20.819 28.624) 38.967 4.592 ( 15.613 0.223 -1.099) 15.653 4.884 ( -12.022 -0.175 1.678) 12.140 5.561 ( -6.181 -10.357 -21.668) 24.799 5.929 ( 18.692 0.791 4.884) 19.336 6.256 ( 19.506 3.074 -6.215) 20.702 6.914 ( -1.738 -1.183 39.225) 39.281 7.163 ( -0.506 7.435 -4.920) 8.929 7.444 ( -13.657 9.315 10.139) 19.392 7.744 ( -6.130 -8.436 -28.338) 30.195 8.716 ( -6.899 18.977 -7.381) 21.499 9.323 ( -2.221 -11.988 -22.903) 25.946 10.175 ( 0.954 1.904 8.632) 8.891 10.469 ( 16.847 0.542 -4.487) 17.443 12.061 ( -12.691 -14.717 34.911) 39.956 13.981 ( 7.258 -8.346 -52.842) 53.987 15.727 ( -7.025 35.416 23.420) 43.036 16.276 ( -3.891 20.565 -2.380) 21.064 18.381 ( -2.771 -16.256 13.219) 21.135 18.702 ( -1.653 -25.914 -2.364) 26.074 20.795 ( -0.373 0.739 4.331) 4.410 20.902 ( 0.407 0.943 -2.172) 2.402 20.918 ( -0.731 -4.131 -1.741) 4.543 21.044 ( 0.173 -2.524 -8.719) 9.079 22.910 ( -2.707 -2.022 22.133) 22.389 23.287 ( -0.334 2.008 4.359) 4.811 24.179 ( 2.002 -0.676 11.228) 11.425 24.717 ( 3.667 3.767 -15.633) 16.493 31.487 ( 1.618 2.026 15.708) 15.920 32.323 ( 2.998 4.944 -24.237) 24.917 ======================= Grid point 467 (154/186) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.590 ( 0.000 5.495 2.011) 5.851 4.766 ( 0.000 3.646 -3.536) 5.079 4.788 ( -0.000 -32.940 31.330) 45.460 5.849 ( -0.000 -15.964 -15.781) 22.448 5.967 ( 0.000 5.687 6.894) 8.937 6.277 ( 0.000 6.147 -5.875) 8.502 6.964 ( 0.000 8.862 22.197) 23.901 7.021 ( 0.000 7.612 -1.029) 7.681 7.038 ( 0.000 0.664 26.880) 26.888 7.974 ( -0.000 -15.384 -42.880) 45.556 8.331 ( 0.000 16.720 -0.977) 16.749 9.477 ( -0.000 -5.741 -35.621) 36.080 10.125 ( 0.000 4.598 9.643) 10.683 10.488 ( 0.000 6.163 -7.727) 9.884 12.426 ( -0.000 -29.775 39.622) 49.563 14.271 ( -0.000 -17.690 -47.589) 50.770 14.952 ( 0.000 42.626 26.879) 50.393 15.713 ( 0.000 35.403 -11.012) 37.077 18.765 ( -0.000 -23.988 18.033) 30.010 19.171 ( -0.000 -24.744 -2.059) 24.830 20.790 ( -0.000 -0.238 6.540) 6.544 20.882 ( 0.000 0.961 -0.107) 0.967 21.004 ( -0.000 -5.084 -4.444) 6.752 21.099 ( -0.000 -3.381 -10.792) 11.310 22.945 ( -0.000 -3.278 18.786) 19.070 23.232 ( 0.000 3.514 5.498) 6.524 24.209 ( -0.000 -1.236 8.954) 9.039 24.649 ( 0.000 5.132 -12.718) 13.715 31.441 ( 0.000 3.817 14.580) 15.071 32.209 ( 0.000 9.052 -22.081) 23.865 ======================= Grid point 478 (155/186) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.014 ( -0.000 0.000 36.395) 36.395 4.708 ( 0.000 -0.000 -0.310) 0.310 4.826 ( 0.000 -0.000 -5.315) 5.315 5.353 ( -0.000 0.000 -28.444) 28.444 6.070 ( -0.000 0.000 7.330) 7.330 6.405 ( 0.000 0.000 -5.424) 5.424 6.887 ( 0.000 0.000 48.036) 48.036 7.256 ( -0.000 0.000 -16.577) 16.577 7.490 ( 0.000 -0.000 18.029) 18.029 7.591 ( -0.000 0.000 -29.725) 29.725 9.025 ( 0.000 0.000 -11.968) 11.968 9.032 ( -0.000 0.000 -18.636) 18.636 10.196 ( 0.000 0.000 10.087) 10.087 10.587 ( -0.000 0.000 -8.733) 8.733 11.826 ( 0.000 0.000 40.255) 40.255 13.931 ( 0.000 0.000 -57.220) 57.220 16.112 ( 0.000 0.000 20.164) 20.164 16.409 ( 0.000 0.000 8.028) 8.028 18.297 ( 0.000 0.000 3.749) 3.749 18.324 ( 0.000 0.000 1.172) 1.172 20.809 ( 0.000 0.000 2.342) 2.342 20.861 ( 0.000 0.000 0.676) 0.676 20.920 ( 0.000 0.000 -3.600) 3.600 21.018 ( 0.000 0.000 -7.563) 7.563 22.877 ( 0.000 0.000 23.733) 23.733 23.305 ( -0.000 0.000 3.733) 3.733 24.184 ( 0.000 -0.000 12.238) 12.238 24.773 ( -0.000 0.000 -17.177) 17.177 31.515 ( 0.000 -0.000 16.439) 16.439 32.384 ( 0.000 -0.000 -25.041) 25.041 ======================= Grid point 525 (156/186) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 0.000 0.000 -38.170) 38.170 3.436 ( 0.000 0.000 38.170) 38.170 3.760 ( 0.000 0.000 -18.911) 18.911 3.760 ( 0.000 0.000 18.911) 18.911 4.808 ( 0.000 0.000 -8.990) 8.990 4.808 ( 0.000 0.000 8.990) 8.990 6.770 ( 0.000 0.000 -4.962) 4.962 6.770 ( 0.000 0.000 4.962) 4.962 6.803 ( 0.000 0.000 -1.094) 1.094 6.803 ( 0.000 0.000 1.094) 1.094 9.821 ( 0.000 0.000 -16.049) 16.049 9.821 ( 0.000 0.000 16.049) 16.049 11.466 ( 0.000 0.000 -21.156) 21.156 11.466 ( 0.000 0.000 21.156) 21.156 12.110 ( 0.000 0.000 -35.238) 35.238 12.110 ( 0.000 0.000 35.238) 35.238 16.707 ( 0.000 0.000 -5.329) 5.329 16.707 ( 0.000 0.000 5.329) 5.329 19.751 ( 0.000 0.000 -6.688) 6.688 19.751 ( 0.000 0.000 6.688) 6.688 20.787 ( 0.000 0.000 -2.691) 2.691 20.787 ( 0.000 0.000 2.691) 2.691 20.991 ( 0.000 0.000 -3.523) 3.523 20.991 ( 0.000 0.000 3.523) 3.523 22.581 ( 0.000 0.000 -0.713) 0.713 22.581 ( 0.000 0.000 0.713) 0.713 24.886 ( 0.000 0.000 -22.350) 22.350 24.886 ( 0.000 0.000 22.350) 22.350 30.981 ( 0.000 0.000 -0.174) 0.174 30.981 ( 0.000 0.000 0.174) 0.174 ======================= Grid point 527 (157/186) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( -14.001 -9.003 -31.418) 35.555 3.438 ( -14.001 -9.003 31.418) 35.555 3.868 ( 6.291 -7.592 -15.201) 18.119 3.868 ( 6.291 -7.592 15.201) 18.119 5.090 ( 31.026 -10.789 -12.219) 35.048 5.090 ( 31.026 -10.789 12.219) 35.048 6.728 ( -9.366 -4.996 -8.162) 13.390 6.728 ( -9.366 -4.996 8.162) 13.390 6.913 ( 7.355 -4.144 -6.547) 10.683 6.913 ( 7.355 -4.144 6.547) 10.683 9.736 ( -3.057 7.031 -23.553) 24.769 9.736 ( -3.057 7.031 23.553) 24.769 11.284 ( -13.587 9.922 -16.919) 23.860 11.284 ( -13.587 9.922 16.919) 23.860 12.231 ( 10.053 -5.029 -30.010) 32.046 12.231 ( 10.053 -5.029 30.010) 32.046 16.625 ( -0.135 9.066 -6.623) 11.228 16.625 ( -0.135 9.066 6.623) 11.228 19.701 ( -10.602 -1.401 -6.090) 12.306 19.701 ( -10.602 -1.401 6.090) 12.306 20.812 ( 1.453 -1.536 -3.682) 4.246 20.812 ( 1.453 -1.536 3.682) 4.246 21.007 ( -0.827 -2.047 -4.391) 4.915 21.007 ( -0.827 -2.047 4.391) 4.915 22.657 ( 7.352 -3.749 -4.322) 9.316 22.657 ( 7.352 -3.749 4.322) 9.316 24.820 ( -6.600 3.144 -20.910) 22.151 24.820 ( -6.600 3.144 20.910) 22.151 31.030 ( 6.450 -1.434 -1.410) 6.756 31.030 ( 6.450 -1.434 1.410) 6.756 ======================= Grid point 529 (158/186) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.475 ( -13.646 -10.359 -19.985) 26.323 3.475 ( -13.646 -10.359 19.985) 26.323 4.138 ( 8.788 -12.383 -7.936) 17.133 4.138 ( 8.788 -12.383 7.936) 17.133 5.698 ( 39.719 -12.459 -13.721) 43.830 5.698 ( 39.719 -12.459 13.721) 43.830 6.801 ( -5.597 -12.280 -15.657) 20.671 6.801 ( -5.597 -12.280 15.657) 20.671 7.096 ( 5.575 -8.995 -11.708) 15.782 7.096 ( 5.575 -8.995 11.708) 15.782 9.540 ( -4.836 9.055 -31.011) 32.666 9.540 ( -4.836 9.055 31.011) 32.666 10.887 ( -15.035 16.953 -15.041) 27.197 10.887 ( -15.035 16.953 15.041) 27.197 12.436 ( 7.867 -6.825 -26.795) 28.748 12.436 ( 7.867 -6.825 26.795) 28.748 16.375 ( -2.174 17.004 -10.473) 20.089 16.375 ( -2.174 17.004 10.473) 20.089 19.625 ( -13.182 -4.499 -5.406) 14.941 19.625 ( -13.182 -4.499 5.406) 14.941 20.858 ( 1.127 -1.964 -5.558) 6.002 20.858 ( 1.127 -1.964 5.558) 6.002 21.039 ( -1.373 -2.463 -6.104) 6.723 21.039 ( -1.373 -2.463 6.104) 6.723 22.844 ( 11.074 -5.641 -7.149) 14.337 22.844 ( 11.074 -5.641 7.149) 14.337 24.659 ( -10.023 4.494 -17.685) 20.818 24.659 ( -10.023 4.494 17.685) 20.818 31.148 ( 9.503 -1.935 -3.620) 10.352 31.148 ( 9.503 -1.935 3.620) 10.352 ======================= Grid point 531 (159/186) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.522 ( -8.394 -7.266 -12.643) 16.825 3.522 ( -8.394 -7.266 12.643) 16.825 4.428 ( 6.174 -9.517 -6.142) 12.900 4.428 ( 6.174 -9.517 6.142) 12.900 6.274 ( 29.345 -11.253 -12.197) 33.712 6.274 ( 29.345 -11.253 12.197) 33.712 7.044 ( 4.026 -13.656 -19.669) 24.281 7.044 ( 4.026 -13.656 19.669) 24.281 7.362 ( 6.360 -13.504 -8.779) 17.317 7.362 ( 6.360 -13.504 8.779) 17.317 9.347 ( -6.778 5.122 -27.656) 28.932 9.347 ( -6.778 5.122 27.656) 28.932 10.386 ( -12.333 21.730 -13.401) 28.353 10.386 ( -12.333 21.730 13.401) 28.353 12.632 ( 3.998 -8.003 -24.979) 26.533 12.632 ( 3.998 -8.003 24.979) 26.533 15.992 ( -4.771 20.223 -13.517) 24.788 15.992 ( -4.771 20.223 13.517) 24.788 19.603 ( -9.784 -6.001 -5.613) 12.776 19.603 ( -9.784 -6.001 5.613) 12.776 20.903 ( 0.600 -2.001 -7.013) 7.317 20.903 ( 0.600 -2.001 7.013) 7.317 21.059 ( -1.485 -1.330 -7.502) 7.762 21.059 ( -1.485 -1.330 7.502) 7.762 23.062 ( 10.757 -5.402 -7.930) 14.414 23.062 ( 10.757 -5.402 7.930) 14.414 24.475 ( -9.776 4.020 -14.047) 17.580 24.475 ( -9.776 4.020 14.047) 17.580 31.277 ( 8.574 -1.574 -5.392) 10.250 31.277 ( 8.574 -1.574 5.392) 10.250 ======================= Grid point 533 (160/186) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( -3.652 -3.742 -9.965) 11.254 3.561 ( -3.652 -3.742 9.965) 11.254 4.585 ( 2.426 -3.319 -8.061) 9.049 4.585 ( 2.426 -3.319 8.061) 9.049 6.692 ( 12.782 -9.855 -11.042) 19.556 6.692 ( 12.782 -9.855 11.042) 19.556 7.307 ( 4.145 -9.020 -8.755) 13.236 7.307 ( 4.145 -9.020 8.755) 13.236 7.684 ( 13.429 -9.807 -2.973) 16.893 7.684 ( 13.429 -9.807 2.973) 16.893 9.198 ( -12.909 1.604 -13.590) 18.813 9.198 ( -12.909 1.604 13.590) 18.813 9.921 ( -3.714 17.458 -7.677) 19.430 9.921 ( -3.714 17.458 7.677) 19.430 12.799 ( 1.616 -6.659 -20.526) 21.640 12.799 ( 1.616 -6.659 20.526) 21.640 15.608 ( -4.462 14.835 -11.017) 19.009 15.608 ( -4.462 14.835 11.017) 19.009 19.624 ( -4.784 -4.108 -5.864) 8.611 19.624 ( -4.784 -4.108 5.864) 8.611 20.942 ( 0.411 -1.658 -7.157) 7.358 20.942 ( 0.411 -1.658 7.157) 7.358 21.057 ( -1.108 0.020 -7.502) 7.583 21.057 ( -1.108 0.020 7.502) 7.583 23.238 ( 6.976 -3.416 -5.964) 9.793 23.238 ( 6.976 -3.416 5.964) 9.793 24.330 ( -6.368 2.437 -9.715) 11.869 24.330 ( -6.368 2.437 9.715) 11.869 31.370 ( 4.916 -0.833 -6.263) 8.006 31.370 ( 4.916 -0.833 6.263) 8.006 ======================= Grid point 535 (161/186) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.577 ( 0.000 -0.000 -9.358) 9.358 3.577 ( 0.000 -0.000 9.358) 9.358 4.623 ( 0.000 -0.000 -8.407) 8.407 4.623 ( 0.000 -0.000 8.407) 8.407 6.852 ( 0.000 -0.000 -8.441) 8.441 6.852 ( 0.000 -0.000 8.441) 8.441 7.411 ( 0.000 -0.000 -3.784) 3.784 7.411 ( -0.000 -0.000 3.784) 3.784 7.890 ( 0.000 -0.000 -2.262) 2.262 7.890 ( 0.000 -0.000 2.262) 2.262 9.068 ( -0.000 -0.000 -2.448) 2.448 9.068 ( 0.000 0.000 2.448) 2.448 9.750 ( 0.000 -0.000 -1.505) 1.505 9.750 ( 0.000 -0.000 1.505) 1.505 12.874 ( 0.000 -0.000 -15.535) 15.535 12.874 ( 0.000 -0.000 15.535) 15.535 15.438 ( 0.000 -0.000 -3.428) 3.428 15.438 ( 0.000 -0.000 3.428) 3.428 19.639 ( 0.000 -0.000 -5.909) 5.909 19.639 ( 0.000 -0.000 5.909) 5.909 20.963 ( -0.000 0.000 -5.306) 5.306 20.963 ( -0.000 -0.000 5.306) 5.306 21.047 ( 0.000 -0.000 -5.466) 5.466 21.047 ( 0.000 -0.000 5.467) 5.467 23.309 ( 0.000 -0.000 -2.341) 2.341 23.309 ( 0.000 -0.000 2.341) 2.341 24.272 ( 0.000 -0.000 -6.133) 6.133 24.272 ( 0.000 -0.000 6.133) 6.133 31.403 ( 0.000 -0.000 -6.489) 6.489 31.403 ( 0.000 -0.000 6.489) 6.489 ======================= Grid point 549 (162/186) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( -9.171 0.000 -22.792) 24.568 3.226 ( -9.171 0.000 22.792) 24.568 3.894 ( 12.546 -0.000 -16.420) 20.664 3.894 ( 12.546 -0.000 16.420) 20.664 5.394 ( 44.689 -0.000 -13.815) 46.775 5.394 ( 44.689 -0.000 13.815) 46.775 6.572 ( -11.169 0.000 -0.526) 11.181 6.572 ( -11.169 0.000 0.526) 11.181 6.958 ( 7.722 -0.000 -4.912) 9.152 6.958 ( 7.722 -0.000 4.912) 9.152 9.756 ( -5.930 0.000 -16.983) 17.988 9.756 ( -5.930 0.000 16.983) 17.988 11.161 ( -23.275 0.000 -8.862) 24.905 11.161 ( -23.275 0.000 8.862) 24.905 12.343 ( 16.141 -0.000 -22.863) 27.986 12.343 ( 16.141 -0.000 22.863) 27.986 16.711 ( 0.096 -0.000 -5.238) 5.239 16.711 ( 0.096 -0.000 5.238) 5.239 19.519 ( -20.116 0.000 -5.132) 20.760 19.519 ( -20.116 0.000 5.132) 20.760 20.820 ( 2.417 -0.000 -2.585) 3.539 20.820 ( 2.417 -0.000 2.585) 3.539 20.974 ( -1.510 0.000 -3.143) 3.487 20.974 ( -1.510 0.000 3.143) 3.487 22.733 ( 13.241 -0.000 -0.014) 13.241 22.733 ( 13.241 -0.000 0.014) 13.241 24.751 ( -11.795 0.000 -17.947) 21.476 24.751 ( -11.795 0.000 17.947) 21.476 31.116 ( 11.993 -0.000 -4.186) 12.703 31.116 ( 11.993 -0.000 4.186) 12.703 ======================= Grid point 551 (163/186) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( 1.691 -7.188 -14.404) 16.186 3.262 ( 1.691 -7.188 14.404) 16.186 4.098 ( 16.681 -4.941 -14.128) 22.411 4.098 ( 16.681 -4.941 14.128) 22.411 5.924 ( 37.560 -7.367 -11.035) 39.834 5.924 ( 37.560 -7.367 11.035) 39.834 6.541 ( -4.696 -8.147 -5.684) 10.988 6.541 ( -4.696 -8.147 5.684) 10.988 7.070 ( 8.750 -3.266 -10.710) 14.210 7.070 ( 8.750 -3.266 10.710) 14.210 9.624 ( -7.271 6.351 -23.307) 25.228 9.624 ( -7.271 6.351 23.307) 25.228 10.864 ( -24.437 4.998 -7.733) 26.114 10.864 ( -24.437 4.998 7.733) 26.114 12.505 ( 13.987 -0.249 -21.925) 26.008 12.505 ( 13.987 -0.249 21.925) 26.008 16.604 ( -2.568 10.965 -7.376) 13.462 16.604 ( -2.568 10.965 7.376) 13.462 19.348 ( -20.907 -5.907 -4.593) 22.205 19.348 ( -20.907 -5.907 4.593) 22.205 20.849 ( 1.737 -0.683 -3.598) 4.053 20.849 ( 1.737 -0.683 3.598) 4.053 20.978 ( -1.769 -2.153 -3.875) 4.773 20.978 ( -1.769 -2.153 3.875) 4.773 22.906 ( 14.796 -2.468 -3.293) 15.357 22.906 ( 14.796 -2.468 3.293) 15.357 24.598 ( -12.978 2.139 -14.259) 19.399 24.598 ( -12.978 2.139 14.259) 19.399 31.255 ( 13.850 -0.018 -7.769) 15.880 31.255 ( 13.850 -0.018 7.769) 15.880 ======================= Grid point 553 (164/186) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.457 ( 12.276 -4.768 -8.803) 15.841 3.457 ( 12.276 -4.768 8.803) 15.841 4.378 ( 15.472 -6.378 -9.026) 19.014 4.378 ( 15.472 -6.378 9.026) 19.014 6.278 ( 4.896 -9.909 -9.918) 14.850 6.278 ( 4.896 -9.909 9.918) 14.850 6.838 ( 13.841 -14.399 -8.208) 21.593 6.838 ( 13.841 -14.399 8.208) 21.593 7.286 ( 15.485 -8.108 -15.996) 23.693 7.286 ( 15.485 -8.108 15.996) 23.693 9.404 ( -8.280 8.617 -27.761) 30.224 9.404 ( -8.280 8.617 27.761) 30.224 10.490 ( -21.212 9.824 -8.718) 24.949 10.490 ( -21.212 9.824 8.718) 24.949 12.648 ( 12.175 -1.319 -24.337) 27.245 12.648 ( 12.175 -1.319 24.337) 27.245 16.263 ( -9.591 18.894 -11.096) 23.919 16.263 ( -9.591 18.894 11.096) 23.919 19.328 ( -13.459 -11.200 -5.966) 18.498 19.328 ( -13.459 -11.200 5.966) 18.498 20.880 ( 0.832 -1.293 -5.236) 5.457 20.880 ( 0.832 -1.293 5.236) 5.457 21.006 ( -1.677 -2.574 -5.533) 6.329 21.006 ( -1.677 -2.574 5.533) 6.329 23.101 ( 11.883 -3.262 -4.962) 13.284 23.101 ( 11.883 -3.262 4.962) 13.284 24.430 ( -10.227 2.674 -11.323) 15.491 24.430 ( -10.227 2.674 11.323) 15.491 31.382 ( 12.019 1.072 -9.902) 15.609 31.382 ( 12.019 1.072 9.902) 15.609 ======================= Grid point 555 (165/186) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.650 ( 19.556 2.001 -7.819) 21.156 3.650 ( 19.556 2.001 7.819) 21.156 4.595 ( 10.596 -1.990 -7.272) 13.005 4.595 ( 10.596 -1.990 7.272) 13.005 6.524 ( -1.575 -15.918 -13.552) 20.965 6.524 ( -1.575 -15.918 13.552) 20.965 7.161 ( 5.404 -10.645 -14.833) 19.040 7.161 ( 5.404 -10.645 14.833) 19.040 7.646 ( 15.855 -9.987 -15.362) 24.231 7.646 ( 15.855 -9.987 15.362) 24.231 9.146 ( -13.059 7.585 -23.853) 28.231 9.146 ( -13.059 7.585 23.853) 28.232 10.118 ( -10.412 11.772 -7.285) 17.322 10.118 ( -10.412 11.772 7.285) 17.322 12.818 ( 14.433 -2.332 -24.295) 28.355 12.818 ( 14.433 -2.332 24.295) 28.355 15.782 ( -16.232 17.619 -10.730) 26.250 15.782 ( -16.232 17.619 10.730) 26.250 19.444 ( -4.699 -10.854 -6.692) 13.589 19.444 ( -4.699 -10.854 6.692) 13.589 20.915 ( 0.543 -1.791 -6.291) 6.563 20.915 ( 0.543 -1.791 6.291) 6.563 21.028 ( -1.495 -1.609 -6.586) 6.943 21.028 ( -1.495 -1.609 6.586) 6.943 23.248 ( 5.604 -2.580 -4.136) 7.427 23.248 ( 5.604 -2.580 4.136) 7.427 24.308 ( -4.715 1.829 -8.449) 9.847 24.308 ( -4.715 1.829 8.449) 9.847 31.454 ( 7.968 2.480 -10.263) 13.228 31.454 ( 7.968 2.480 10.263) 13.228 ======================= Grid point 557 (166/186) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( 23.448 7.479 -9.173) 26.266 3.785 ( 23.448 7.479 9.173) 26.266 4.673 ( 6.627 2.430 -8.491) 11.042 4.673 ( 6.627 2.430 8.491) 11.042 6.747 ( -5.058 -9.366 -12.735) 16.598 6.747 ( -5.058 -9.366 12.735) 16.598 7.359 ( 2.109 -6.422 -15.152) 16.591 7.359 ( 2.109 -6.422 15.152) 16.591 7.832 ( -7.042 -2.136 -3.596) 8.191 7.832 ( -7.042 -2.136 3.596) 8.191 8.959 ( -6.819 -4.190 -17.928) 19.633 8.959 ( -6.819 -4.190 17.928) 19.633 9.872 ( 0.058 10.382 -5.301) 11.658 9.872 ( 0.058 10.382 5.301) 11.658 13.003 ( 18.239 2.145 -17.956) 25.684 13.003 ( 18.239 2.145 17.956) 25.684 15.378 ( -17.951 4.908 -5.503) 19.407 15.378 ( -17.951 4.908 5.503) 19.407 19.591 ( 1.498 -6.553 -6.714) 9.500 19.591 ( 1.498 -6.553 6.714) 9.500 20.952 ( 0.488 -1.408 -5.692) 5.884 20.952 ( 0.488 -1.408 5.692) 5.884 21.035 ( -0.959 -0.803 -5.824) 5.957 21.035 ( -0.959 -0.803 5.824) 5.957 23.295 ( -1.825 -0.302 -1.594) 2.441 23.295 ( -1.825 -0.302 1.594) 2.441 24.277 ( 1.696 -0.221 -6.595) 6.813 24.277 ( 1.696 -0.221 6.595) 6.813 31.455 ( 3.141 3.718 -9.375) 10.563 31.455 ( 3.141 3.718 9.375) 10.563 ======================= Grid point 559 (167/186) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.865 ( 25.386 11.218 -10.157) 29.555 3.865 ( 25.386 11.218 10.157) 29.555 4.664 ( 4.838 4.984 -9.147) 11.485 4.664 ( 4.838 4.984 9.147) 11.485 6.656 ( -21.548 6.201 -13.824) 26.341 6.656 ( -21.548 6.201 13.824) 26.341 7.375 ( -6.169 4.300 -21.700) 22.966 7.375 ( -6.169 4.300 21.700) 22.966 7.674 ( -9.873 1.590 -18.876) 21.362 7.674 ( -9.873 1.590 18.876) 21.362 9.218 ( 9.836 -16.431 -12.054) 22.628 9.218 ( 9.836 -16.431 12.054) 22.628 9.723 ( -2.116 2.794 -3.776) 5.152 9.723 ( -2.116 2.794 3.776) 5.153 13.049 ( 15.137 12.694 -16.603) 25.806 13.049 ( 15.137 12.694 16.603) 25.806 15.308 ( -11.506 -14.322 -13.809) 22.982 15.308 ( -11.506 -14.322 13.809) 22.982 19.699 ( 5.003 -1.570 -6.388) 8.265 19.699 ( 5.003 -1.570 6.388) 8.265 20.962 ( -0.103 0.653 -7.138) 7.169 20.962 ( -0.103 0.653 7.138) 7.169 21.051 ( 0.347 -1.365 -7.319) 7.453 21.051 ( 0.347 -1.365 7.319) 7.453 23.226 ( -6.593 2.882 -6.028) 9.387 23.226 ( -6.593 2.882 6.028) 9.387 24.346 ( 5.769 -2.702 -10.408) 12.203 24.346 ( 5.769 -2.702 10.408) 12.203 31.388 ( -1.272 4.594 -7.829) 9.166 31.388 ( -1.272 4.594 7.829) 9.166 ======================= Grid point 561 (168/186) ======================= q-point: (-0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.909 ( 26.463 13.329 -11.033) 31.618 3.909 ( 26.463 13.329 11.033) 31.618 4.572 ( 1.659 10.082 -9.228) 13.768 4.572 ( 1.659 10.082 9.228) 13.768 6.137 ( -37.963 12.638 -12.800) 42.009 6.137 ( -37.963 12.638 12.800) 42.009 7.182 ( -4.976 7.826 -41.349) 42.376 7.182 ( -4.976 7.826 41.349) 42.376 7.568 ( 0.304 8.799 -32.068) 33.255 7.568 ( 0.304 8.799 32.068) 33.255 9.401 ( 6.476 4.090 -18.394) 19.925 9.401 ( 6.476 4.090 18.394) 19.925 9.977 ( 1.350 -29.264 -14.724) 32.787 9.977 ( 1.350 -29.264 14.724) 32.787 12.878 ( 6.758 17.160 -22.973) 29.460 12.878 ( 6.758 17.160 22.973) 29.460 15.603 ( -3.174 -24.031 -18.653) 30.586 15.603 ( -3.174 -24.031 18.653) 30.586 19.754 ( 6.415 1.678 -5.821) 8.823 19.754 ( 6.415 1.678 5.821) 8.823 20.935 ( -0.326 1.851 -8.315) 8.525 20.935 ( -0.326 1.851 8.315) 8.525 21.079 ( 0.988 -0.615 -8.801) 8.878 21.079 ( 0.988 -0.615 8.801) 8.878 23.071 ( -7.538 5.751 -9.207) 13.216 23.071 ( -7.538 5.751 9.207) 13.216 24.480 ( 6.626 -4.742 -15.243) 17.284 24.480 ( 6.626 -4.742 15.243) 17.284 31.271 ( -4.058 4.979 -6.033) 8.812 31.271 ( -4.058 4.979 6.033) 8.812 ======================= Grid point 563 (169/186) ======================= q-point: (-0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.926 ( 25.685 15.044 -14.310) 33.028 3.926 ( 25.685 15.044 14.310) 33.028 4.302 ( -8.465 15.507 -7.243) 19.094 4.302 ( -8.465 15.507 7.243) 19.094 5.558 ( -29.108 11.184 -13.623) 34.029 5.558 ( -29.108 11.184 13.623) 34.029 7.009 ( -0.417 8.069 -35.972) 36.868 7.009 ( -0.417 8.069 35.972) 36.868 7.324 ( 0.161 17.167 -20.885) 27.035 7.324 ( 0.161 17.167 20.885) 27.035 9.439 ( 2.275 -4.668 -30.832) 31.266 9.439 ( 2.275 -4.668 30.832) 31.266 10.555 ( 3.849 -28.953 -17.505) 34.052 10.555 ( 3.849 -28.953 17.505) 34.052 12.611 ( 0.503 15.680 -26.563) 30.850 12.611 ( 0.503 15.680 26.563) 30.850 16.027 ( 0.012 -22.900 -15.474) 27.638 16.027 ( 0.012 -22.900 15.474) 27.638 19.778 ( 5.402 2.275 -5.552) 8.073 19.778 ( 5.402 2.275 5.552) 8.073 20.892 ( -0.361 2.394 -7.398) 7.784 20.892 ( -0.361 2.394 7.398) 7.784 21.084 ( 0.760 1.138 -8.077) 8.192 21.084 ( 0.760 1.138 8.077) 8.192 22.880 ( -5.322 7.401 -9.910) 13.466 22.880 ( -5.322 7.401 9.910) 13.466 24.639 ( 4.757 -5.935 -19.038) 20.501 24.639 ( 4.757 -5.935 19.038) 20.501 31.139 ( -3.900 4.650 -4.267) 7.419 31.139 ( -3.900 4.650 4.267) 7.419 ======================= Grid point 565 (170/186) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( 0.000 18.669 -34.707) 39.410 3.790 ( 0.000 18.669 34.707) 39.410 3.983 ( 0.000 8.954 -11.384) 14.483 3.983 ( 0.000 8.954 11.384) 14.483 5.166 ( 0.000 14.495 -12.813) 19.346 5.166 ( 0.000 14.495 12.813) 19.346 6.886 ( 0.000 5.929 -26.435) 27.092 6.886 ( 0.000 5.929 26.435) 27.092 7.025 ( 0.000 13.771 -10.782) 17.489 7.025 ( 0.000 13.771 10.782) 17.489 9.592 ( -0.000 -9.560 -31.768) 33.175 9.592 ( -0.000 -9.560 31.768) 33.175 11.049 ( -0.000 -22.096 -19.274) 29.321 11.049 ( -0.000 -22.096 19.274) 29.321 12.350 ( 0.000 12.294 -30.235) 32.639 12.350 ( 0.000 12.294 30.235) 32.639 16.391 ( -0.000 -16.802 -10.267) 19.691 16.391 ( -0.000 -16.802 10.267) 19.691 19.777 ( 0.000 1.452 -5.960) 6.134 19.777 ( 0.000 1.452 5.960) 6.134 20.844 ( 0.000 2.546 -5.615) 6.165 20.844 ( 0.000 2.546 5.615) 6.165 21.054 ( 0.000 2.436 -6.380) 6.829 21.054 ( 0.000 2.436 6.380) 6.829 22.718 ( 0.000 6.805 -8.141) 10.611 22.718 ( 0.000 6.805 8.141) 10.611 24.773 ( -0.000 -5.526 -21.265) 21.972 24.773 ( -0.000 -5.526 21.265) 21.972 31.042 ( 0.000 3.371 -2.650) 4.288 31.042 ( 0.000 3.371 2.650) 4.288 ======================= Grid point 571 (171/186) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( 12.097 -0.000 -4.469) 12.896 3.260 ( 12.097 -0.000 4.469) 12.896 4.290 ( 26.176 -0.000 -14.801) 30.071 4.290 ( 26.176 -0.000 14.801) 30.071 6.087 ( 0.670 -0.000 -2.490) 2.579 6.087 ( 0.670 -0.000 2.490) 2.579 6.538 ( 23.367 -0.000 -9.807) 25.341 6.538 ( 23.367 -0.000 9.807) 25.341 7.148 ( 12.956 -0.000 -11.482) 17.311 7.148 ( 12.956 -0.000 11.482) 17.311 9.602 ( -8.459 0.000 -15.382) 17.555 9.602 ( -8.459 0.000 15.382) 17.555 10.639 ( -25.708 0.000 -3.073) 25.891 10.639 ( -25.708 0.000 3.073) 25.891 12.644 ( 11.871 -0.000 -20.456) 23.651 12.644 ( 11.871 -0.000 20.456) 23.651 16.692 ( -2.407 0.000 -5.083) 5.624 16.692 ( -2.407 0.000 5.083) 5.624 19.043 ( -23.620 0.000 -2.473) 23.750 19.043 ( -23.620 0.000 2.473) 23.750 20.863 ( 1.589 -0.000 -2.444) 2.915 20.863 ( 1.589 -0.000 2.444) 2.915 20.936 ( -1.984 0.000 -2.265) 3.011 20.936 ( -1.984 0.000 2.265) 3.011 23.040 ( 14.327 -0.000 -0.136) 14.328 23.040 ( 14.327 -0.000 0.136) 14.328 24.486 ( -11.656 0.000 -11.175) 16.147 24.486 ( -11.656 0.000 11.175) 16.147 31.409 ( 14.860 -0.000 -12.289) 19.283 31.409 ( 14.860 -0.000 12.289) 19.283 ======================= Grid point 573 (172/186) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.510 ( 20.081 -8.023 -2.464) 21.764 3.510 ( 20.081 -8.023 2.464) 21.764 4.572 ( 29.262 1.630 -13.427) 32.237 4.572 ( 29.262 1.630 13.427) 32.237 6.047 ( -14.196 -7.054 -10.953) 19.268 6.047 ( -14.196 -7.054 10.953) 19.268 6.847 ( 18.349 -5.336 -11.111) 22.105 6.847 ( 18.349 -5.336 11.111) 22.105 7.364 ( 21.203 -4.453 -18.779) 28.671 7.364 ( 21.203 -4.453 18.779) 28.671 9.452 ( -10.004 6.172 -18.236) 21.696 9.452 ( -10.004 6.172 18.236) 21.696 10.370 ( -20.533 2.530 -3.227) 20.938 10.370 ( -20.533 2.530 3.227) 20.938 12.755 ( 9.735 -0.911 -24.384) 26.271 12.755 ( 9.735 -0.911 24.384) 26.271 16.495 ( -8.306 16.320 -9.186) 20.487 16.495 ( -8.306 16.320 9.186) 20.487 18.943 ( -16.684 -12.741 -5.255) 21.640 18.943 ( -16.684 -12.741 5.255) 21.640 20.875 ( 0.673 -0.180 -3.247) 3.321 20.875 ( 0.673 -0.180 3.247) 3.321 20.942 ( -1.527 -2.329 -3.211) 4.251 20.942 ( -1.527 -2.329 3.211) 4.251 23.177 ( 9.575 -1.022 -2.579) 9.968 23.177 ( 9.575 -1.022 2.579) 9.968 24.376 ( -6.695 1.333 -9.829) 11.967 24.376 ( -6.695 1.333 9.829) 11.967 31.540 ( 12.770 1.609 -14.943) 19.722 31.540 ( 12.770 1.609 14.943) 19.722 ======================= Grid point 575 (173/186) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( 25.971 -5.299 -4.723) 26.924 3.887 ( 25.971 -5.299 4.723) 26.924 4.799 ( 25.487 5.193 -10.429) 28.024 4.799 ( 25.487 5.193 10.429) 28.024 6.124 ( -12.582 -17.651 -18.395) 28.430 6.124 ( -12.582 -17.651 18.395) 28.430 7.075 ( 7.379 -6.346 -19.157) 21.487 7.075 ( 7.379 -6.346 19.157) 21.487 7.655 ( 12.088 -5.141 -20.797) 24.598 7.655 ( 12.088 -5.141 20.797) 24.598 9.170 ( -15.420 10.028 -24.984) 31.025 9.170 ( -15.420 10.028 24.984) 31.025 10.163 ( -6.576 4.273 -4.151) 8.873 10.163 ( -6.576 4.273 4.151) 8.873 12.918 ( 13.566 -4.830 -28.901) 32.290 12.918 ( 13.566 -4.830 28.902) 32.290 15.973 ( -17.803 24.248 -12.816) 32.698 15.973 ( -17.803 24.248 12.816) 32.698 19.124 ( -6.108 -18.262 -7.793) 20.773 19.124 ( -6.108 -18.262 7.793) 20.773 20.892 ( 0.451 -1.220 -4.824) 4.996 20.892 ( 0.451 -1.220 4.824) 4.996 20.973 ( -1.442 -2.528 -4.921) 5.717 20.973 ( -1.442 -2.528 4.921) 5.717 23.260 ( 2.747 -0.966 -3.540) 4.583 23.260 ( 2.747 -0.966 3.540) 4.583 24.310 ( -0.699 1.595 -8.964) 9.132 24.310 ( -0.699 1.595 8.964) 9.132 31.604 ( 8.972 3.815 -15.413) 18.237 31.604 ( 8.972 3.815 15.413) 18.237 ======================= Grid point 577 (174/186) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.183 ( 26.812 3.172 -6.352) 27.736 4.183 ( 26.812 3.172 6.352) 27.736 4.906 ( 21.620 8.998 -8.896) 25.050 4.906 ( 21.620 8.998 8.896) 25.050 6.392 ( -9.353 -20.972 -21.458) 31.428 6.392 ( -9.353 -20.972 21.458) 31.428 7.255 ( 3.568 -7.257 -23.319) 24.681 7.255 ( 3.568 -7.257 23.319) 24.681 7.701 ( -13.304 0.386 -10.246) 16.796 7.701 ( -13.304 0.386 10.246) 16.796 8.862 ( -11.526 4.084 -29.865) 32.272 8.862 ( -11.526 4.084 29.865) 32.272 10.058 ( 3.863 7.430 -5.258) 9.888 10.058 ( 3.863 7.430 5.258) 9.888 13.217 ( 23.556 -6.096 -26.821) 36.213 13.217 ( 23.556 -6.096 26.821) 36.213 15.337 ( -25.840 18.746 -11.235) 33.843 15.337 ( -25.840 18.746 11.235) 33.843 19.411 ( 0.823 -15.132 -8.349) 17.302 19.411 ( 0.823 -15.132 8.349) 17.302 20.927 ( 0.656 -1.829 -5.659) 5.983 20.927 ( 0.656 -1.829 5.659) 5.983 20.998 ( -1.398 -1.847 -5.711) 6.163 20.998 ( -1.398 -1.847 5.711) 6.163 23.268 ( -2.682 0.030 -2.307) 3.538 23.268 ( -2.682 0.030 2.307) 3.538 24.305 ( 3.309 0.506 -7.784) 8.473 24.305 ( 3.309 0.506 7.784) 8.473 31.587 ( 4.751 5.805 -14.280) 16.131 31.587 ( 4.751 5.805 14.280) 16.131 ======================= Grid point 579 (175/186) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.325 ( 20.693 7.816 -5.637) 22.826 4.325 ( 20.693 7.816 5.637) 22.826 4.952 ( 25.684 12.287 -9.807) 30.113 4.952 ( 25.684 12.287 9.807) 30.113 6.476 ( -23.922 -0.631 -14.788) 28.131 6.476 ( -23.922 -0.631 14.788) 28.131 7.325 ( -10.299 -0.769 -23.315) 25.500 7.325 ( -10.299 -0.769 23.315) 25.500 7.547 ( -7.008 -4.975 -27.685) 28.989 7.547 ( -7.008 -4.975 27.685) 28.989 8.906 ( -0.877 -16.115 -28.212) 32.502 8.906 ( -0.877 -16.115 28.212) 32.502 9.921 ( 3.514 12.586 -7.327) 14.981 9.921 ( 3.514 12.586 7.327) 14.981 13.508 ( 29.046 9.481 -14.658) 33.889 13.508 ( 29.046 9.481 14.658) 33.889 14.897 ( -27.594 -5.778 -13.445) 31.235 14.897 ( -27.594 -5.778 13.445) 31.235 19.655 ( 3.588 -8.750 -8.028) 12.405 19.655 ( 3.588 -8.750 8.028) 12.405 20.961 ( 0.392 -0.858 -6.379) 6.449 20.961 ( 0.392 -0.858 6.379) 6.449 21.018 ( -0.613 -1.943 -6.358) 6.676 21.018 ( -0.613 -1.943 6.358) 6.676 23.210 ( -4.716 1.963 -4.314) 6.687 23.210 ( -4.716 1.963 4.314) 6.687 24.356 ( 4.272 -1.683 -9.471) 10.525 24.356 ( 4.272 -1.683 9.471) 10.525 31.498 ( 1.143 7.141 -12.215) 14.195 31.498 ( 1.143 7.141 12.215) 14.195 ======================= Grid point 581 (176/186) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.346 ( 12.160 7.970 -4.647) 15.264 4.346 ( 12.160 7.970 4.647) 15.264 4.966 ( 28.360 19.374 -16.485) 38.097 4.966 ( 28.360 19.374 16.485) 38.097 5.963 ( -39.543 12.449 -10.998) 42.890 5.963 ( -39.543 12.449 10.998) 42.890 7.234 ( -3.848 2.357 -49.326) 49.532 7.234 ( -3.848 2.357 49.326) 49.532 7.625 ( 0.647 -2.707 -43.508) 43.597 7.625 ( 0.647 -2.707 43.508) 43.597 9.358 ( 3.240 -29.430 -20.067) 35.768 9.358 ( 3.240 -29.430 20.067) 35.768 9.689 ( -0.846 12.930 -10.550) 16.710 9.689 ( -0.846 12.930 10.550) 16.710 13.364 ( 11.183 25.657 -21.389) 35.225 13.364 ( 11.183 25.657 21.389) 35.225 15.060 ( -9.124 -28.618 -25.644) 39.495 15.060 ( -9.124 -28.618 25.644) 39.495 19.794 ( 3.035 -2.929 -6.987) 8.161 19.794 ( 3.035 -2.930 6.987) 8.161 20.959 ( -0.106 0.997 -8.820) 8.877 20.959 ( -0.106 0.998 8.820) 8.877 21.059 ( 0.284 -2.249 -9.105) 9.383 21.059 ( 0.284 -2.249 9.105) 9.383 23.107 ( -3.575 4.453 -8.003) 9.832 23.107 ( -3.575 4.453 8.003) 9.832 24.447 ( 3.012 -4.067 -13.696) 14.601 24.447 ( 3.012 -4.067 13.696) 14.601 31.364 ( -0.794 7.534 -9.702) 12.309 31.364 ( -0.794 7.534 9.702) 12.309 ======================= Grid point 583 (177/186) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.284 ( 0.000 7.245 -6.300) 9.601 4.284 ( 0.000 7.245 6.300) 9.601 4.678 ( 0.000 28.513 -28.017) 39.974 4.678 ( 0.000 28.513 28.017) 39.974 5.545 ( 0.000 7.374 -12.767) 14.743 5.545 ( 0.000 7.374 12.767) 14.743 7.135 ( 0.000 6.376 -46.551) 46.986 7.135 ( 0.000 6.376 46.551) 46.986 7.583 ( 0.000 8.820 -36.410) 37.463 7.583 ( 0.000 8.820 36.410) 37.463 9.467 ( 0.000 7.082 -21.476) 22.613 9.467 ( 0.000 7.082 21.476) 22.613 9.987 ( -0.000 -34.221 -18.149) 38.736 9.987 ( -0.000 -34.221 18.149) 38.736 12.967 ( 0.000 22.218 -24.377) 32.982 12.967 ( 0.000 22.218 24.377) 32.982 15.556 ( -0.000 -28.390 -21.868) 35.836 15.556 ( -0.000 -28.390 21.868) 35.836 19.830 ( 0.000 0.497 -5.937) 5.958 19.830 ( 0.000 0.497 5.937) 5.958 20.931 ( 0.000 1.948 -8.654) 8.870 20.931 ( 0.000 1.948 8.654) 8.870 21.091 ( -0.000 -0.864 -9.236) 9.276 21.091 ( -0.000 -0.864 9.236) 9.276 22.985 ( 0.000 6.694 -10.182) 12.186 22.985 ( 0.000 6.694 10.182) 12.186 24.554 ( -0.000 -5.720 -17.441) 18.356 24.554 ( -0.000 -5.720 17.441) 18.356 31.226 ( 0.000 6.724 -7.013) 9.716 31.226 ( 0.000 6.724 7.013) 9.716 ======================= Grid point 593 (178/186) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 23.402 -0.000 -7.652) 24.621 3.645 ( 23.402 -0.000 7.652) 24.621 4.943 ( 34.937 -0.000 -14.576) 37.856 4.943 ( 34.937 -0.000 14.576) 37.856 5.808 ( -17.659 0.000 -9.863) 20.226 5.808 ( -17.659 0.000 9.863) 20.226 6.957 ( 11.030 -0.000 -7.383) 13.273 6.957 ( 11.030 -0.000 7.383) 13.273 7.544 ( 19.672 -0.000 -22.594) 29.958 7.544 ( 19.672 -0.000 22.594) 29.958 9.391 ( -14.070 0.000 -0.164) 14.071 9.391 ( -14.070 0.000 0.164) 14.071 10.220 ( -10.468 0.000 -3.879) 11.163 10.220 ( -10.468 0.000 3.879) 11.163 12.808 ( 4.006 -0.000 -28.800) 29.077 12.808 ( 4.006 -0.000 28.800) 29.077 16.601 ( -6.249 0.000 -5.435) 8.282 16.601 ( -6.249 0.000 5.435) 8.282 18.626 ( -15.799 0.000 -0.813) 15.820 18.626 ( -15.799 0.000 0.813) 15.820 20.878 ( -0.485 0.000 -0.020) 0.486 20.878 ( -0.485 0.000 0.020) 0.486 20.906 ( -0.414 0.000 -0.809) 0.909 20.906 ( -0.414 0.000 0.809) 0.909 23.243 ( 4.526 -0.000 -4.410) 6.320 23.243 ( 4.526 -0.000 4.410) 6.320 24.348 ( -0.993 0.000 -10.593) 10.639 24.348 ( -0.993 0.000 10.593) 10.639 31.681 ( 10.988 -0.000 -18.221) 21.278 31.681 ( 10.988 -0.000 18.221) 21.278 ======================= Grid point 595 (179/186) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.997 ( 25.757 -9.291 -8.474) 28.662 3.997 ( 25.757 -9.291 8.474) 28.662 5.213 ( 24.685 5.205 -14.231) 28.965 5.213 ( 24.685 5.205 14.231) 28.965 5.737 ( -8.250 -8.533 -13.227) 17.771 5.737 ( -8.250 -8.533 13.227) 17.771 7.069 ( 6.563 -2.539 -12.950) 14.739 7.069 ( 6.563 -2.539 12.950) 14.739 7.697 ( 5.110 -0.482 -23.240) 23.801 7.697 ( 5.110 -0.482 23.240) 23.801 9.153 ( -18.654 6.733 -17.463) 26.425 9.153 ( -18.654 6.733 17.463) 26.425 10.183 ( 3.470 0.584 -2.740) 4.460 10.183 ( 3.470 0.584 2.740) 4.460 12.895 ( 3.924 -6.791 -35.849) 36.696 12.895 ( 3.924 -6.791 35.849) 36.696 16.284 ( -10.902 24.206 -11.708) 29.015 16.284 ( -10.902 24.206 11.708) 29.015 18.693 ( -7.775 -19.387 -6.975) 22.022 18.693 ( -7.775 -19.387 6.975) 22.022 20.877 ( -0.395 -0.799 -2.976) 3.107 20.877 ( -0.395 -0.799 2.976) 3.107 20.922 ( -0.451 -1.624 -3.221) 3.635 20.922 ( -0.451 -1.624 3.221) 3.635 23.265 ( -0.151 -0.002 -6.587) 6.589 23.265 ( -0.151 -0.002 6.587) 6.589 24.350 ( 3.085 1.198 -11.365) 11.837 24.350 ( 3.085 1.198 11.365) 11.837 31.755 ( 7.823 2.754 -19.239) 20.950 31.755 ( 7.823 2.754 19.239) 20.950 ======================= Grid point 597 (180/186) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.402 ( 21.877 -4.717 -4.464) 22.821 4.402 ( 21.877 -4.717 4.464) 22.821 5.325 ( 17.571 2.833 -10.629) 20.730 5.325 ( 17.571 2.833 10.629) 20.730 5.931 ( 0.615 -14.799 -17.358) 22.818 5.931 ( 0.615 -14.799 17.358) 22.818 7.188 ( 4.080 -4.385 -21.223) 22.052 7.188 ( 4.080 -4.385 21.223) 22.052 7.599 ( -16.346 5.440 -13.650) 21.980 7.599 ( -16.346 5.440 13.650) 21.980 8.844 ( -12.586 6.844 -30.872) 34.035 8.844 ( -12.586 6.844 30.872) 34.035 10.217 ( 7.673 3.676 -5.240) 9.992 10.217 ( 7.673 3.676 5.240) 9.992 13.182 ( 11.044 -16.886 -39.454) 44.314 13.182 ( 11.044 -16.886 39.454) 44.314 15.600 ( -16.164 33.502 -16.130) 40.544 15.600 ( -16.164 33.502 16.130) 40.544 19.058 ( -1.133 -23.246 -9.381) 25.093 19.058 ( -1.133 -23.246 9.381) 25.093 20.901 ( 0.403 -1.761 -4.714) 5.049 20.901 ( 0.403 -1.761 4.714) 5.049 20.947 ( -1.042 -2.007 -4.760) 5.270 20.947 ( -1.042 -2.007 4.760) 5.270 23.246 ( -2.393 0.501 -6.141) 6.610 23.246 ( -2.393 0.501 6.141) 6.610 24.362 ( 3.866 1.495 -10.257) 11.063 24.362 ( 3.866 1.495 10.257) 11.063 31.742 ( 4.366 5.556 -18.402) 19.713 31.742 ( 4.366 5.556 18.402) 19.713 ======================= Grid point 599 (181/186) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.555 ( 8.432 3.728 -4.774) 10.382 4.555 ( 8.432 3.728 4.774) 10.382 5.516 ( 33.248 6.475 -9.811) 35.265 5.516 ( 33.248 6.475 9.811) 35.265 6.141 ( -16.745 -9.803 -14.462) 24.200 6.141 ( -16.745 -9.803 14.462) 24.200 7.185 ( -14.452 3.148 -15.764) 21.616 7.185 ( -14.452 3.148 15.764) 21.616 7.393 ( -3.110 -5.857 -32.062) 32.740 7.393 ( -3.110 -5.857 32.062) 32.740 8.716 ( -3.267 -2.575 -37.942) 38.169 8.716 ( -3.267 -2.575 37.942) 38.169 10.164 ( 3.843 9.260 -7.891) 12.759 10.164 ( 3.843 9.260 7.891) 12.759 13.713 ( 20.349 -22.549 -35.363) 46.617 13.713 ( 20.349 -22.549 35.363) 46.617 14.807 ( -21.208 31.466 -16.892) 41.536 14.807 ( -21.208 31.466 16.892) 41.536 19.440 ( 1.152 -17.789 -9.599) 20.246 19.440 ( 1.152 -17.789 9.599) 20.247 20.942 ( 0.719 -1.827 -5.990) 6.303 20.942 ( 0.719 -1.827 5.990) 6.303 20.972 ( -1.006 -2.066 -5.968) 6.395 20.972 ( -1.006 -2.066 5.968) 6.395 23.204 ( -2.190 1.391 -4.276) 5.002 23.204 ( -2.190 1.391 4.276) 5.002 24.377 ( 2.407 0.265 -8.924) 9.247 24.377 ( 2.407 0.265 8.924) 9.247 31.650 ( 1.471 7.629 -16.281) 18.040 31.650 ( 1.471 7.629 16.281) 18.040 ======================= Grid point 601 (182/186) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.507 ( 0.000 5.359 -5.318) 7.549 4.507 ( 0.000 5.358 5.318) 7.549 5.642 ( 0.000 19.070 -21.154) 28.481 5.642 ( 0.000 19.070 21.154) 28.481 5.830 ( 0.000 8.730 -8.787) 12.386 5.830 ( 0.000 8.730 8.787) 12.386 7.170 ( -0.000 -6.261 -45.132) 45.565 7.170 ( -0.000 -6.261 45.132) 45.565 7.525 ( -0.000 -7.548 -42.870) 43.530 7.525 ( -0.000 -7.548 42.870) 43.530 8.894 ( -0.000 -19.194 -30.797) 36.289 8.894 ( -0.000 -19.194 30.797) 36.289 9.964 ( 0.000 14.433 -8.581) 16.791 9.964 ( 0.000 14.433 8.581) 16.791 14.002 ( 0.000 35.069 -22.104) 41.454 14.002 ( 0.000 35.069 22.104) 41.454 14.420 ( -0.000 -33.014 -34.341) 47.637 14.420 ( -0.000 -33.014 34.341) 47.637 19.698 ( -0.000 -9.740 -8.612) 13.001 19.698 ( -0.000 -9.740 8.612) 13.001 20.966 ( -0.000 -0.311 -8.452) 8.458 20.966 ( -0.000 -0.311 8.453) 8.458 21.012 ( -0.000 -2.763 -8.503) 8.941 21.012 ( -0.000 -2.763 8.503) 8.941 23.155 ( 0.000 2.751 -5.266) 5.941 23.155 ( 0.000 2.751 5.266) 5.941 24.405 ( -0.000 -2.036 -10.561) 10.755 24.405 ( -0.000 -2.036 10.561) 10.755 31.509 ( 0.000 8.419 -13.287) 15.729 31.509 ( 0.000 8.419 13.287) 15.729 ======================= Grid point 615 (183/186) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.170 ( 26.871 -0.000 -13.171) 29.925 4.170 ( 26.871 -0.000 13.171) 29.925 5.225 ( -18.581 0.000 -15.898) 24.454 5.225 ( -18.581 0.000 15.898) 24.454 5.846 ( 29.491 -0.000 -9.864) 31.097 5.846 ( 29.491 -0.000 9.864) 31.097 7.109 ( 5.257 -0.000 -8.178) 9.722 7.109 ( 5.257 -0.000 8.178) 9.722 7.711 ( -4.053 0.000 -23.101) 23.453 7.711 ( -4.053 0.000 23.101) 23.453 9.023 ( -17.575 0.000 -7.954) 19.291 9.023 ( -17.575 0.000 7.954) 19.291 10.262 ( 9.909 -0.000 -1.389) 10.006 10.262 ( 9.909 -0.000 1.389) 10.006 12.823 ( -1.629 0.000 -44.218) 44.248 12.823 ( -1.629 0.000 44.218) 44.248 16.467 ( -5.734 0.000 -6.923) 8.989 16.467 ( -5.734 0.000 6.923) 8.989 18.401 ( -6.483 0.000 -0.378) 6.494 18.401 ( -6.483 0.000 0.378) 6.494 20.858 ( -0.880 0.000 -1.520) 1.756 20.858 ( -0.880 0.000 1.520) 1.756 20.909 ( 0.269 -0.000 -2.610) 2.624 20.909 ( 0.269 -0.000 2.610) 2.624 23.256 ( -1.549 0.000 -9.293) 9.421 23.256 ( -1.549 0.000 9.293) 9.421 24.402 ( 4.129 -0.000 -13.412) 14.033 24.402 ( 4.129 -0.000 13.412) 14.033 31.850 ( 5.364 -0.000 -21.056) 21.728 31.850 ( 5.364 -0.000 21.056) 21.728 ======================= Grid point 617 (184/186) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.530 ( 24.833 -6.348 -7.827) 26.800 4.530 ( 24.833 -6.348 7.827) 26.800 5.088 ( -21.220 -11.736 -20.624) 31.834 5.088 ( -21.220 -11.736 20.624) 31.834 6.094 ( 22.460 3.723 -9.344) 24.610 6.094 ( 22.460 3.723 9.344) 24.610 7.175 ( 4.079 -2.091 -14.198) 14.919 7.175 ( 4.079 -2.091 14.198) 14.919 7.565 ( -12.655 7.143 -15.154) 20.995 7.565 ( -12.655 7.143 15.154) 20.995 8.835 ( -8.866 4.299 -20.250) 22.520 8.835 ( -8.866 4.299 20.250) 22.520 10.344 ( 6.892 1.711 -7.634) 10.426 10.344 ( 6.892 1.711 7.634) 10.426 12.933 ( 0.421 -13.749 -49.193) 51.080 12.933 ( 0.421 -13.749 49.193) 51.080 16.107 ( -5.008 30.332 -13.855) 33.721 16.107 ( -5.008 30.332 13.855) 33.721 18.599 ( -1.926 -23.077 -7.999) 24.500 18.599 ( -1.926 -23.077 7.999) 24.500 20.868 ( -0.287 -1.680 -2.999) 3.449 20.868 ( -0.287 -1.680 2.999) 3.449 20.918 ( -0.044 -0.714 -3.572) 3.643 20.918 ( -0.044 -0.714 3.572) 3.643 23.236 ( -1.350 0.481 -9.538) 9.645 23.236 ( -1.350 0.481 9.538) 9.645 24.425 ( 2.597 1.361 -13.198) 13.519 24.425 ( 2.597 1.361 13.198) 13.519 31.861 ( 2.517 3.313 -20.966) 21.375 31.861 ( 2.517 3.313 20.966) 21.375 ======================= Grid point 619 (185/186) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.671 ( 0.000 3.343 -5.228) 6.206 4.671 ( 0.000 3.343 5.228) 6.206 5.386 ( -0.000 -27.790 -27.343) 38.986 5.386 ( -0.000 -27.790 27.343) 38.986 6.126 ( 0.000 6.668 -8.342) 10.680 6.126 ( 0.000 6.668 8.342) 10.680 7.264 ( 0.000 13.311 -8.385) 15.732 7.264 ( 0.000 13.311 8.385) 15.732 7.270 ( -0.000 -5.130 -24.982) 25.504 7.270 ( -0.000 -5.130 24.982) 25.504 8.716 ( 0.000 3.617 -35.598) 35.782 8.716 ( 0.000 3.617 35.598) 35.782 10.318 ( 0.000 5.221 -9.103) 10.494 10.318 ( 0.000 5.221 9.103) 10.494 13.310 ( -0.000 -25.692 -46.520) 53.143 13.310 ( -0.000 -25.692 46.520) 53.143 15.413 ( 0.000 40.162 -18.711) 44.307 15.413 ( 0.000 40.162 18.711) 44.307 19.050 ( -0.000 -25.018 -10.008) 26.946 19.050 ( -0.000 -25.018 10.008) 26.946 20.907 ( -0.000 -2.457 -5.186) 5.738 20.907 ( -0.000 -2.456 5.186) 5.738 20.935 ( -0.000 -1.323 -5.372) 5.532 20.935 ( -0.000 -1.323 5.372) 5.532 23.215 ( 0.000 0.984 -7.316) 7.382 23.215 ( 0.000 0.984 7.316) 7.382 24.409 ( 0.000 1.614 -10.907) 11.026 24.409 ( 0.000 1.614 10.907) 11.026 31.786 ( 0.000 6.143 -19.290) 20.244 31.786 ( 0.000 6.143 19.290) 20.244 ======================= Grid point 641 (186/186) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.722 ( 0.000 -0.000 -33.354) 33.354 4.722 ( 0.000 -0.000 33.354) 33.354 4.732 ( -0.000 0.000 -3.114) 3.114 4.732 ( -0.000 0.000 3.114) 3.114 6.255 ( 0.000 0.000 -9.488) 9.488 6.255 ( 0.000 0.000 9.488) 9.488 7.180 ( 0.000 -0.000 -9.402) 9.402 7.180 ( 0.000 -0.000 9.402) 9.402 7.572 ( 0.000 0.000 -15.580) 15.580 7.572 ( 0.000 0.000 15.580) 15.580 8.826 ( 0.000 0.000 -2.206) 2.206 8.826 ( 0.000 0.000 2.206) 2.206 10.400 ( 0.000 0.000 -9.786) 9.786 10.400 ( 0.000 0.000 9.786) 9.786 12.795 ( 0.000 -0.000 -53.677) 53.677 12.795 ( 0.000 -0.000 53.677) 53.677 16.402 ( 0.000 0.000 -7.991) 7.991 16.402 ( 0.000 0.000 7.991) 7.991 18.338 ( 0.000 0.000 -0.335) 0.335 18.338 ( 0.000 0.000 0.335) 0.335 20.849 ( 0.000 0.000 -1.513) 1.513 20.849 ( 0.000 0.000 1.513) 1.513 20.912 ( 0.000 0.000 -2.680) 2.680 20.912 ( 0.000 0.000 2.680) 2.680 23.234 ( 0.000 0.000 -10.837) 10.837 23.234 ( 0.000 0.000 10.837) 10.837 24.452 ( 0.000 0.000 -14.473) 14.473 24.452 ( 0.000 0.000 14.473) 14.473 31.905 ( 0.000 -0.000 -21.818) 21.818 31.905 ( 0.000 -0.000 21.818) 21.818 =================== 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 3/30000 10.0 8269.965 5742.048 4361.624 0.000 0.000 0.000 3/30000 20.0 2730.102 2951.492 3038.065 0.000 0.000 0.000 3/30000 30.0 915.524 1194.520 1242.642 0.000 0.000 0.000 3/30000 40.0 447.107 596.261 613.536 0.000 0.000 0.000 3/30000 50.0 276.738 360.061 367.250 0.000 0.000 0.000 3/30000 60.0 195.345 246.725 251.062 0.000 0.000 0.000 3/30000 70.0 149.262 184.109 187.966 0.000 0.000 0.000 3/30000 80.0 120.122 145.789 149.888 0.000 0.000 0.000 3/30000 90.0 100.214 120.437 124.914 0.000 0.000 0.000 3/30000 100.0 85.818 102.598 107.395 0.000 0.000 0.000 3/30000 110.0 74.949 89.412 94.418 0.000 0.000 0.000 3/30000 120.0 66.465 79.271 84.380 0.000 0.000 0.000 3/30000 130.0 59.664 71.219 76.348 0.000 0.000 0.000 3/30000 140.0 54.096 64.661 69.749 0.000 0.000 0.000 3/30000 150.0 49.457 59.210 64.213 0.000 0.000 0.000 3/30000 160.0 45.536 54.602 59.493 0.000 0.000 0.000 3/30000 170.0 42.180 50.653 55.417 0.000 0.000 0.000 3/30000 180.0 39.278 47.231 51.860 0.000 0.000 0.000 3/30000 190.0 36.746 44.237 48.727 0.000 0.000 0.000 3/30000 200.0 34.518 41.595 45.948 0.000 0.000 0.000 3/30000 210.0 32.545 39.248 43.466 0.000 0.000 0.000 3/30000 220.0 30.787 37.149 41.238 0.000 0.000 0.000 3/30000 230.0 29.210 35.262 39.226 0.000 0.000 0.000 3/30000 240.0 27.789 33.556 37.402 0.000 0.000 0.000 3/30000 250.0 26.502 32.008 35.740 0.000 0.000 0.000 3/30000 260.0 25.331 30.596 34.221 0.000 0.000 0.000 3/30000 270.0 24.263 29.304 32.827 0.000 0.000 0.000 3/30000 280.0 23.283 28.117 31.543 0.000 0.000 0.000 3/30000 290.0 22.382 27.023 30.357 0.000 0.000 0.000 3/30000 300.0 21.550 26.012 29.259 0.000 0.000 0.000 3/30000 310.0 20.780 25.075 28.239 0.000 0.000 0.000 3/30000 320.0 20.065 24.204 27.289 0.000 0.000 0.000 3/30000 330.0 19.400 23.392 26.402 0.000 0.000 0.000 3/30000 340.0 18.779 22.634 25.572 0.000 0.000 0.000 3/30000 350.0 18.199 21.924 24.794 0.000 0.000 0.000 3/30000 360.0 17.654 21.259 24.063 0.000 0.000 0.000 3/30000 370.0 17.143 20.633 23.375 0.000 0.000 0.000 3/30000 380.0 16.662 20.044 22.726 0.000 0.000 0.000 3/30000 390.0 16.208 19.488 22.113 0.000 0.000 0.000 3/30000 400.0 15.779 18.963 21.532 0.000 0.000 0.000 3/30000 410.0 15.373 18.466 20.983 0.000 0.000 0.000 3/30000 420.0 14.988 17.995 20.461 0.000 0.000 0.000 3/30000 430.0 14.623 17.548 19.965 0.000 0.000 0.000 3/30000 440.0 14.276 17.123 19.494 0.000 0.000 0.000 3/30000 450.0 13.946 16.718 19.044 0.000 0.000 0.000 3/30000 460.0 13.631 16.333 18.615 0.000 0.000 0.000 3/30000 470.0 13.331 15.965 18.206 0.000 0.000 0.000 3/30000 480.0 13.044 15.614 17.814 0.000 0.000 0.000 3/30000 490.0 12.769 15.279 17.440 0.000 0.000 0.000 3/30000 500.0 12.506 14.957 17.081 0.000 0.000 0.000 3/30000 510.0 12.254 14.650 16.737 0.000 0.000 0.000 3/30000 520.0 12.013 14.354 16.406 0.000 0.000 0.000 3/30000 530.0 11.781 14.071 16.089 0.000 0.000 0.000 3/30000 540.0 11.558 13.799 15.784 0.000 0.000 0.000 3/30000 550.0 11.343 13.538 15.490 0.000 0.000 0.000 3/30000 560.0 11.137 13.286 15.208 0.000 0.000 0.000 3/30000 570.0 10.938 13.044 14.936 0.000 0.000 0.000 3/30000 580.0 10.746 12.810 14.673 0.000 0.000 0.000 3/30000 590.0 10.561 12.585 14.420 0.000 0.000 0.000 3/30000 600.0 10.383 12.368 14.175 0.000 0.000 0.000 3/30000 610.0 10.210 12.158 13.939 0.000 0.000 0.000 3/30000 620.0 10.043 11.956 13.710 0.000 0.000 0.000 3/30000 630.0 9.882 11.760 13.489 0.000 0.000 0.000 3/30000 640.0 9.726 11.571 13.275 0.000 0.000 0.000 3/30000 650.0 9.575 11.387 13.068 0.000 0.000 0.000 3/30000 660.0 9.428 11.210 12.867 0.000 0.000 0.000 3/30000 670.0 9.286 11.038 12.673 0.000 0.000 0.000 3/30000 680.0 9.149 10.871 12.484 0.000 0.000 0.000 3/30000 690.0 9.015 10.709 12.301 0.000 0.000 0.000 3/30000 700.0 8.886 10.552 12.123 0.000 0.000 0.000 3/30000 710.0 8.760 10.400 11.951 0.000 0.000 0.000 3/30000 720.0 8.637 10.252 11.783 0.000 0.000 0.000 3/30000 730.0 8.518 10.108 11.620 0.000 0.000 0.000 3/30000 740.0 8.403 9.969 11.461 0.000 0.000 0.000 3/30000 750.0 8.290 9.833 11.307 0.000 0.000 0.000 3/30000 760.0 8.180 9.701 11.157 0.000 0.000 0.000 3/30000 770.0 8.074 9.572 11.011 0.000 0.000 0.000 3/30000 780.0 7.970 9.447 10.868 0.000 0.000 0.000 3/30000 790.0 7.869 9.325 10.730 0.000 0.000 0.000 3/30000 800.0 7.770 9.206 10.594 0.000 0.000 0.000 3/30000 810.0 7.674 9.090 10.463 0.000 0.000 0.000 3/30000 820.0 7.580 8.978 10.334 0.000 0.000 0.000 3/30000 830.0 7.489 8.867 10.209 0.000 0.000 0.000 3/30000 840.0 7.399 8.760 10.086 0.000 0.000 0.000 3/30000 850.0 7.312 8.655 9.967 0.000 0.000 0.000 3/30000 860.0 7.227 8.553 9.850 0.000 0.000 0.000 3/30000 870.0 7.144 8.453 9.736 0.000 0.000 0.000 3/30000 880.0 7.062 8.356 9.625 0.000 0.000 0.000 3/30000 890.0 6.983 8.260 9.516 0.000 0.000 0.000 3/30000 900.0 6.905 8.167 9.410 0.000 0.000 0.000 3/30000 910.0 6.829 8.076 9.306 0.000 0.000 0.000 3/30000 920.0 6.755 7.987 9.204 0.000 0.000 0.000 3/30000 930.0 6.682 7.900 9.105 0.000 0.000 0.000 3/30000 940.0 6.611 7.815 9.008 0.000 0.000 0.000 3/30000 950.0 6.542 7.731 8.912 0.000 0.000 0.000 3/30000 960.0 6.474 7.650 8.819 0.000 0.000 0.000 3/30000 970.0 6.407 7.570 8.728 0.000 0.000 0.000 3/30000 980.0 6.341 7.492 8.638 0.000 0.000 0.000 3/30000 990.0 6.277 7.415 8.551 0.000 0.000 0.000 3/30000 1000.0 6.215 7.340 8.465 0.000 0.000 0.000 3/30000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:26:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|