----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:30:19]------------------------- 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 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.214686166547835 2.433350192806180 2.434711579999997 b -4.214686166547827 2.433350192806180 2.434711579999997 c 0.000000000000004 -4.866700385612367 2.434711579999997 Atomic positions (fractional): *1 Li 0.34418684621123 0.00000000000000 0.65581315378877 6.941 2 Li 0.00000000000000 0.65581315378878 0.34418684621122 6.941 3 Li 0.34418684621123 0.65581315378878 0.00000000000000 6.941 4 Li 0.00000000000000 0.34418684621123 0.65581315378877 6.941 5 Li 0.65581315378877 0.00000000000000 0.34418684621122 6.941 6 Li 0.65581315378877 0.34418684621123 0.00000000000000 6.941 *7 O 0.90772605713587 0.28077612119752 0.28077612119752 15.999 8 O 0.28077612119752 0.90772605713588 0.28077612119752 15.999 9 O 0.71922387880248 0.71922387880248 0.09227394286413 15.999 10 O 0.09227394286413 0.71922387880248 0.71922387880248 15.999 11 O 0.71922387880248 0.09227394286413 0.71922387880248 15.999 12 O 0.28077612119752 0.28077612119752 0.90772605713587 15.999 *13 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *14 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.429372333095664 0.000000000000000 0.000000000000000 b -4.214686166547832 7.300050578418547 0.000000000000000 c 0.000000000000000 0.000000000000000 7.304134740000000 Atomic positions (fractional): *1 Li 0.01085351287789 0.67752017954456 0.33333333333333 6.941 > 1 2 Li 0.66666666666667 0.98914648712211 0.33333333333333 6.941 > 2 3 Li 0.01085351287789 0.33333333333333 0.33333333333333 6.941 > 3 4 Li 0.66666666666667 0.67752017954456 0.33333333333333 6.941 > 4 5 Li 0.32247982045544 0.98914648712211 0.33333333333333 6.941 > 5 6 Li 0.32247982045544 0.33333333333333 0.33333333333333 6.941 > 6 7 Li 0.67752017954456 0.01085351287789 0.66666666666667 6.941 > 1 8 Li 0.33333333333333 0.32247982045544 0.66666666666667 6.941 > 2 9 Li 0.67752017954456 0.66666666666667 0.66666666666667 6.941 > 3 10 Li 0.33333333333333 0.01085351287789 0.66666666666667 6.941 > 4 11 Li 0.98914648712211 0.32247982045544 0.66666666666667 6.941 > 5 12 Li 0.98914648712211 0.66666666666667 0.66666666666667 6.941 > 6 13 Li 0.34418684621122 0.34418684621122 0.00000000000000 6.941 > 1 14 Li 0.00000000000000 0.65581315378878 0.00000000000000 6.941 > 2 15 Li 0.34418684621122 0.00000000000000 0.00000000000000 6.941 > 3 16 Li 0.00000000000000 0.34418684621122 0.00000000000000 6.941 > 4 17 Li 0.65581315378878 0.65581315378878 0.00000000000000 6.941 > 5 18 Li 0.65581315378878 0.00000000000000 0.00000000000000 6.941 > 6 *19 O 0.41796662395890 0.20898331197945 0.48975943317697 15.999 > 7 20 O 0.79101668802055 0.20898331197945 0.48975943317697 15.999 > 8 21 O 0.20898331197945 0.41796662395890 0.51024056682303 15.999 > 9 22 O 0.58203337604110 0.79101668802055 0.51024056682303 15.999 > 10 23 O 0.20898331197945 0.79101668802055 0.51024056682303 15.999 > 11 24 O 0.79101668802055 0.58203337604110 0.48975943317697 15.999 > 12 25 O 0.08463329062557 0.54231664531278 0.82309276651031 15.999 > 7 26 O 0.45768335468722 0.54231664531278 0.82309276651031 15.999 > 8 27 O 0.87564997864612 0.75129995729223 0.84357390015636 15.999 > 9 28 O 0.24870004270776 0.12435002135388 0.84357390015636 15.999 > 10 29 O 0.87564997864612 0.12435002135388 0.84357390015636 15.999 > 11 30 O 0.45768335468722 0.91536670937443 0.82309276651031 15.999 > 12 31 O 0.75129995729223 0.87564997864612 0.15642609984364 15.999 > 7 32 O 0.12435002135388 0.87564997864612 0.15642609984364 15.999 > 8 33 O 0.54231664531278 0.08463329062557 0.17690723348969 15.999 > 9 34 O 0.91536670937443 0.45768335468722 0.17690723348969 15.999 > 10 35 O 0.54231664531278 0.45768335468722 0.17690723348969 15.999 > 11 36 O 0.12435002135388 0.24870004270776 0.15642609984364 15.999 > 12 *37 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 13 38 K 0.66666666666667 0.33333333333333 0.83333333333333 39.098 > 13 39 K 0.33333333333333 0.66666666666667 0.16666666666667 39.098 > 13 *40 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 14 41 Bi 0.66666666666667 0.33333333333333 0.33333333333333 208.980 > 14 42 Bi 0.33333333333333 0.66666666666667 0.66666666666667 208.980 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.429372333095664 0.000000000000000 0.000000000000000 b -4.214686166547832 7.300050578418547 0.000000000000000 c 0.000000000000000 0.000000000000000 14.608269480000001 Atomic positions (fractional): *1 Li 0.01085351287789 0.67752017954456 0.16666666666667 6.941 > 1 2 Li 0.01085351287789 0.67752017954456 0.66666666666667 6.941 > 1 3 Li 0.66666666666667 0.98914648712211 0.16666666666667 6.941 > 2 4 Li 0.66666666666667 0.98914648712211 0.66666666666667 6.941 > 2 5 Li 0.01085351287789 0.33333333333333 0.16666666666667 6.941 > 3 6 Li 0.01085351287789 0.33333333333333 0.66666666666667 6.941 > 3 7 Li 0.66666666666667 0.67752017954456 0.16666666666667 6.941 > 4 8 Li 0.66666666666667 0.67752017954456 0.66666666666667 6.941 > 4 9 Li 0.32247982045544 0.98914648712211 0.16666666666667 6.941 > 5 10 Li 0.32247982045544 0.98914648712211 0.66666666666667 6.941 > 5 11 Li 0.32247982045544 0.33333333333333 0.16666666666667 6.941 > 6 12 Li 0.32247982045544 0.33333333333333 0.66666666666667 6.941 > 6 13 Li 0.67752017954456 0.01085351287789 0.33333333333333 6.941 > 1 14 Li 0.67752017954456 0.01085351287789 0.83333333333333 6.941 > 1 15 Li 0.33333333333333 0.32247982045544 0.33333333333333 6.941 > 2 16 Li 0.33333333333333 0.32247982045544 0.83333333333333 6.941 > 2 17 Li 0.67752017954456 0.66666666666667 0.33333333333333 6.941 > 3 18 Li 0.67752017954456 0.66666666666667 0.83333333333333 6.941 > 3 19 Li 0.33333333333333 0.01085351287789 0.33333333333333 6.941 > 4 20 Li 0.33333333333333 0.01085351287789 0.83333333333333 6.941 > 4 21 Li 0.98914648712211 0.32247982045544 0.33333333333333 6.941 > 5 22 Li 0.98914648712211 0.32247982045544 0.83333333333333 6.941 > 5 23 Li 0.98914648712211 0.66666666666667 0.33333333333333 6.941 > 6 24 Li 0.98914648712211 0.66666666666667 0.83333333333333 6.941 > 6 25 Li 0.34418684621122 0.34418684621122 0.00000000000000 6.941 > 1 26 Li 0.34418684621122 0.34418684621122 0.50000000000000 6.941 > 1 27 Li 0.00000000000000 0.65581315378878 0.00000000000000 6.941 > 2 28 Li 0.00000000000000 0.65581315378878 0.50000000000000 6.941 > 2 29 Li 0.34418684621122 0.00000000000000 0.00000000000000 6.941 > 3 30 Li 0.34418684621122 0.00000000000000 0.50000000000000 6.941 > 3 31 Li 0.00000000000000 0.34418684621122 0.00000000000000 6.941 > 4 32 Li 0.00000000000000 0.34418684621122 0.50000000000000 6.941 > 4 33 Li 0.65581315378878 0.65581315378878 0.00000000000000 6.941 > 5 34 Li 0.65581315378878 0.65581315378878 0.50000000000000 6.941 > 5 35 Li 0.65581315378878 0.00000000000000 0.00000000000000 6.941 > 6 36 Li 0.65581315378878 0.00000000000000 0.50000000000000 6.941 > 6 *37 O 0.41796662395890 0.20898331197945 0.24487971658849 15.999 > 7 38 O 0.41796662395890 0.20898331197945 0.74487971658849 15.999 > 7 39 O 0.79101668802055 0.20898331197945 0.24487971658849 15.999 > 8 40 O 0.79101668802055 0.20898331197945 0.74487971658849 15.999 > 8 41 O 0.20898331197945 0.41796662395890 0.25512028341151 15.999 > 9 42 O 0.20898331197945 0.41796662395890 0.75512028341151 15.999 > 9 43 O 0.58203337604110 0.79101668802055 0.25512028341151 15.999 > 10 44 O 0.58203337604110 0.79101668802055 0.75512028341151 15.999 > 10 45 O 0.20898331197945 0.79101668802055 0.25512028341151 15.999 > 11 46 O 0.20898331197945 0.79101668802055 0.75512028341151 15.999 > 11 47 O 0.79101668802055 0.58203337604110 0.24487971658849 15.999 > 12 48 O 0.79101668802055 0.58203337604110 0.74487971658849 15.999 > 12 49 O 0.08463329062557 0.54231664531278 0.41154638325515 15.999 > 7 50 O 0.08463329062557 0.54231664531278 0.91154638325515 15.999 > 7 51 O 0.45768335468722 0.54231664531278 0.41154638325515 15.999 > 8 52 O 0.45768335468722 0.54231664531278 0.91154638325515 15.999 > 8 53 O 0.87564997864612 0.75129995729223 0.42178695007818 15.999 > 9 54 O 0.87564997864612 0.75129995729223 0.92178695007818 15.999 > 9 55 O 0.24870004270776 0.12435002135388 0.42178695007818 15.999 > 10 56 O 0.24870004270776 0.12435002135388 0.92178695007818 15.999 > 10 57 O 0.87564997864612 0.12435002135388 0.42178695007818 15.999 > 11 58 O 0.87564997864612 0.12435002135388 0.92178695007818 15.999 > 11 59 O 0.45768335468722 0.91536670937443 0.41154638325515 15.999 > 12 60 O 0.45768335468722 0.91536670937443 0.91154638325515 15.999 > 12 61 O 0.75129995729223 0.87564997864612 0.07821304992182 15.999 > 7 62 O 0.75129995729223 0.87564997864612 0.57821304992182 15.999 > 7 63 O 0.12435002135388 0.87564997864612 0.07821304992182 15.999 > 8 64 O 0.12435002135388 0.87564997864612 0.57821304992182 15.999 > 8 65 O 0.54231664531278 0.08463329062557 0.08845361674485 15.999 > 9 66 O 0.54231664531278 0.08463329062557 0.58845361674485 15.999 > 9 67 O 0.91536670937443 0.45768335468722 0.08845361674485 15.999 > 10 68 O 0.91536670937443 0.45768335468722 0.58845361674485 15.999 > 10 69 O 0.54231664531278 0.45768335468722 0.08845361674485 15.999 > 11 70 O 0.54231664531278 0.45768335468722 0.58845361674485 15.999 > 11 71 O 0.12435002135388 0.24870004270776 0.07821304992182 15.999 > 12 72 O 0.12435002135388 0.24870004270776 0.57821304992182 15.999 > 12 *73 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 13 74 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 13 75 K 0.66666666666667 0.33333333333333 0.41666666666667 39.098 > 13 76 K 0.66666666666667 0.33333333333333 0.91666666666667 39.098 > 13 77 K 0.33333333333333 0.66666666666667 0.08333333333333 39.098 > 13 78 K 0.33333333333333 0.66666666666667 0.58333333333333 39.098 > 13 *79 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 14 80 Bi 0.00000000000000 0.00000000000000 0.50000000000000 208.980 > 14 81 Bi 0.66666666666667 0.33333333333333 0.16666666666667 208.980 > 14 82 Bi 0.66666666666667 0.33333333333333 0.66666666666667 208.980 > 14 83 Bi 0.33333333333333 0.66666666666667 0.33333333333333 208.980 > 14 84 Bi 0.33333333333333 0.66666666666667 0.83333333333333 208.980 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7692445 0.0000000 0.0000000 -0.0000000 3.7692445 0.0000000 0.0000000 0.0000000 3.8381163 -------------------------- Born effective charges -------------------------- 1 Li 0.8592076 0.1659054 0.2622833 0.1659054 1.0507787 -0.1514293 0.0781636 -0.0451278 0.9849096 2 Li 0.8592076 -0.1659054 -0.2622833 -0.1659054 1.0507787 -0.1514293 -0.0781636 -0.0451278 0.9849096 3 Li 1.1465642 -0.0000000 0.0000000 0.0000000 0.7634220 0.3028587 -0.0000000 0.0902555 0.9849096 4 Li 0.8592076 -0.1659054 -0.2622833 -0.1659054 1.0507787 -0.1514293 -0.0781636 -0.0451278 0.9849096 5 Li 0.8592076 0.1659054 0.2622833 0.1659054 1.0507787 -0.1514293 0.0781636 -0.0451278 0.9849096 6 Li 1.1465642 -0.0000000 0.0000000 0.0000000 0.7634220 0.3028587 -0.0000000 0.0902555 0.9849096 7 O -1.9862046 -0.1998729 0.3896644 -0.1998729 -1.7554113 0.2249728 0.4291331 0.2477601 -1.8496729 8 O -1.9862046 0.1998729 -0.3896644 0.1998729 -1.7554113 0.2249728 -0.4291331 0.2477601 -1.8496729 9 O -1.6400146 -0.0000000 -0.0000000 0.0000000 -2.1016012 -0.4499456 -0.0000000 -0.4955202 -1.8496729 10 O -1.9862046 -0.1998729 0.3896644 -0.1998729 -1.7554113 0.2249728 0.4291331 0.2477601 -1.8496729 11 O -1.9862046 0.1998729 -0.3896644 0.1998729 -1.7554113 0.2249728 -0.4291331 0.2477601 -1.8496729 12 O -1.6400146 -0.0000000 -0.0000000 0.0000000 -2.1016012 -0.4499456 -0.0000000 -0.4955202 -1.8496729 13 K 1.2969211 0.0000000 0.0000000 -0.0000000 1.2969211 0.0000000 0.0000000 -0.0000000 1.3072750 14 Bi 4.1979677 -0.0000000 0.0000000 -0.0000000 4.1979677 0.0000000 0.0000000 -0.0000000 3.8813051 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 6666/6666 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 513 Number of blocks in projector: 294 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 235 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 86 Use standard eigh solver. Tree of FC basis block matrices: - (513, 499), data: False |-- (86, 82), data: True |-- (192, 188), data: True |-- (235, 229), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 160 - Time: 0.311 Solver_block: 160 / 160 - Time: 0.210 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.531 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 6666/6666 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 513 Number of blocks in projector: 294 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 235 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 86 Use standard eigh solver. Tree of FC basis block matrices: - (513, 499), data: False |-- (86, 82), data: True |-- (192, 188), data: True |-- (235, 229), 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 05:30:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:30:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.214686166547835 2.433350192806180 2.434711579999997 b -4.214686166547827 2.433350192806180 2.434711579999997 c 0.000000000000004 -4.866700385612367 2.434711579999997 Atomic positions (fractional): 1 Li 0.34418684621123 0.00000000000000 0.65581315378877 6.941 2 Li 0.00000000000000 0.65581315378878 0.34418684621122 6.941 3 Li 0.34418684621123 0.65581315378878 0.00000000000000 6.941 4 Li 0.00000000000000 0.34418684621123 0.65581315378877 6.941 5 Li 0.65581315378877 0.00000000000000 0.34418684621122 6.941 6 Li 0.65581315378877 0.34418684621123 0.00000000000000 6.941 7 O 0.90772605713587 0.28077612119752 0.28077612119752 15.999 8 O 0.28077612119752 0.90772605713588 0.28077612119752 15.999 9 O 0.71922387880248 0.71922387880248 0.09227394286413 15.999 10 O 0.09227394286413 0.71922387880248 0.71922387880248 15.999 11 O 0.71922387880248 0.09227394286413 0.71922387880248 15.999 12 O 0.28077612119752 0.28077612119752 0.90772605713587 15.999 13 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 14 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.429372333095664 0.000000000000000 0.000000000000000 b -4.214686166547832 7.300050578418547 0.000000000000000 c 0.000000000000000 0.000000000000000 14.608269480000001 Atomic positions (fractional): 1 Li 0.01085351287789 0.67752017954456 0.16666666666667 6.941 > 1 2 Li 0.01085351287789 0.67752017954456 0.66666666666667 6.941 > 1 3 Li 0.66666666666667 0.98914648712211 0.16666666666667 6.941 > 3 4 Li 0.66666666666667 0.98914648712211 0.66666666666667 6.941 > 3 5 Li 0.01085351287789 0.33333333333333 0.16666666666667 6.941 > 5 6 Li 0.01085351287789 0.33333333333333 0.66666666666667 6.941 > 5 7 Li 0.66666666666667 0.67752017954456 0.16666666666667 6.941 > 7 8 Li 0.66666666666667 0.67752017954456 0.66666666666667 6.941 > 7 9 Li 0.32247982045544 0.98914648712211 0.16666666666667 6.941 > 9 10 Li 0.32247982045544 0.98914648712211 0.66666666666667 6.941 > 9 11 Li 0.32247982045544 0.33333333333333 0.16666666666667 6.941 > 11 12 Li 0.32247982045544 0.33333333333333 0.66666666666667 6.941 > 11 13 Li 0.67752017954456 0.01085351287789 0.33333333333333 6.941 > 1 14 Li 0.67752017954456 0.01085351287789 0.83333333333333 6.941 > 1 15 Li 0.33333333333333 0.32247982045544 0.33333333333333 6.941 > 3 16 Li 0.33333333333333 0.32247982045544 0.83333333333333 6.941 > 3 17 Li 0.67752017954456 0.66666666666667 0.33333333333333 6.941 > 5 18 Li 0.67752017954456 0.66666666666667 0.83333333333333 6.941 > 5 19 Li 0.33333333333333 0.01085351287789 0.33333333333333 6.941 > 7 20 Li 0.33333333333333 0.01085351287789 0.83333333333333 6.941 > 7 21 Li 0.98914648712211 0.32247982045544 0.33333333333333 6.941 > 9 22 Li 0.98914648712211 0.32247982045544 0.83333333333333 6.941 > 9 23 Li 0.98914648712211 0.66666666666667 0.33333333333333 6.941 > 11 24 Li 0.98914648712211 0.66666666666667 0.83333333333333 6.941 > 11 25 Li 0.34418684621122 0.34418684621122 0.00000000000000 6.941 > 1 26 Li 0.34418684621122 0.34418684621122 0.50000000000000 6.941 > 1 27 Li 0.00000000000000 0.65581315378878 0.00000000000000 6.941 > 3 28 Li 0.00000000000000 0.65581315378878 0.50000000000000 6.941 > 3 29 Li 0.34418684621122 0.00000000000000 0.00000000000000 6.941 > 5 30 Li 0.34418684621122 0.00000000000000 0.50000000000000 6.941 > 5 31 Li 0.00000000000000 0.34418684621122 0.00000000000000 6.941 > 7 32 Li 0.00000000000000 0.34418684621122 0.50000000000000 6.941 > 7 33 Li 0.65581315378878 0.65581315378878 0.00000000000000 6.941 > 9 34 Li 0.65581315378878 0.65581315378878 0.50000000000000 6.941 > 9 35 Li 0.65581315378878 0.00000000000000 0.00000000000000 6.941 > 11 36 Li 0.65581315378878 0.00000000000000 0.50000000000000 6.941 > 11 37 O 0.41796662395890 0.20898331197945 0.24487971658849 15.999 > 37 38 O 0.41796662395890 0.20898331197945 0.74487971658849 15.999 > 37 39 O 0.79101668802055 0.20898331197945 0.24487971658849 15.999 > 39 40 O 0.79101668802055 0.20898331197945 0.74487971658849 15.999 > 39 41 O 0.20898331197945 0.41796662395890 0.25512028341151 15.999 > 41 42 O 0.20898331197945 0.41796662395890 0.75512028341151 15.999 > 41 43 O 0.58203337604110 0.79101668802055 0.25512028341151 15.999 > 43 44 O 0.58203337604110 0.79101668802055 0.75512028341151 15.999 > 43 45 O 0.20898331197945 0.79101668802055 0.25512028341151 15.999 > 45 46 O 0.20898331197945 0.79101668802055 0.75512028341151 15.999 > 45 47 O 0.79101668802055 0.58203337604110 0.24487971658849 15.999 > 47 48 O 0.79101668802055 0.58203337604110 0.74487971658849 15.999 > 47 49 O 0.08463329062557 0.54231664531278 0.41154638325515 15.999 > 37 50 O 0.08463329062557 0.54231664531278 0.91154638325515 15.999 > 37 51 O 0.45768335468722 0.54231664531278 0.41154638325515 15.999 > 39 52 O 0.45768335468722 0.54231664531278 0.91154638325515 15.999 > 39 53 O 0.87564997864612 0.75129995729223 0.42178695007818 15.999 > 41 54 O 0.87564997864612 0.75129995729223 0.92178695007818 15.999 > 41 55 O 0.24870004270776 0.12435002135388 0.42178695007818 15.999 > 43 56 O 0.24870004270776 0.12435002135388 0.92178695007818 15.999 > 43 57 O 0.87564997864612 0.12435002135388 0.42178695007818 15.999 > 45 58 O 0.87564997864612 0.12435002135388 0.92178695007818 15.999 > 45 59 O 0.45768335468722 0.91536670937443 0.41154638325515 15.999 > 47 60 O 0.45768335468722 0.91536670937443 0.91154638325515 15.999 > 47 61 O 0.75129995729223 0.87564997864612 0.07821304992182 15.999 > 37 62 O 0.75129995729223 0.87564997864612 0.57821304992182 15.999 > 37 63 O 0.12435002135388 0.87564997864612 0.07821304992182 15.999 > 39 64 O 0.12435002135388 0.87564997864612 0.57821304992182 15.999 > 39 65 O 0.54231664531278 0.08463329062557 0.08845361674485 15.999 > 41 66 O 0.54231664531278 0.08463329062557 0.58845361674485 15.999 > 41 67 O 0.91536670937443 0.45768335468722 0.08845361674485 15.999 > 43 68 O 0.91536670937443 0.45768335468722 0.58845361674485 15.999 > 43 69 O 0.54231664531278 0.45768335468722 0.08845361674485 15.999 > 45 70 O 0.54231664531278 0.45768335468722 0.58845361674485 15.999 > 45 71 O 0.12435002135388 0.24870004270776 0.07821304992182 15.999 > 47 72 O 0.12435002135388 0.24870004270776 0.57821304992182 15.999 > 47 73 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 73 74 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 73 75 K 0.66666666666667 0.33333333333333 0.41666666666667 39.098 > 73 76 K 0.66666666666667 0.33333333333333 0.91666666666667 39.098 > 73 77 K 0.33333333333333 0.66666666666667 0.08333333333333 39.098 > 73 78 K 0.33333333333333 0.66666666666667 0.58333333333333 39.098 > 73 79 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 79 80 Bi 0.00000000000000 0.00000000000000 0.50000000000000 208.980 > 79 81 Bi 0.66666666666667 0.33333333333333 0.16666666666667 208.980 > 79 82 Bi 0.66666666666667 0.33333333333333 0.66666666666667 208.980 > 79 83 Bi 0.33333333333333 0.66666666666667 0.33333333333333 208.980 > 79 84 Bi 0.33333333333333 0.66666666666667 0.83333333333333 208.980 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7692445 0.0000000 0.0000000 -0.0000000 3.7692445 0.0000000 0.0000000 0.0000000 3.8381163 -------------------------- Born effective charges -------------------------- 1 Li 0.8592076 0.1659054 0.2622833 0.1659054 1.0507787 -0.1514293 0.0781636 -0.0451278 0.9849096 2 Li 0.8592076 -0.1659054 -0.2622833 -0.1659054 1.0507787 -0.1514293 -0.0781636 -0.0451278 0.9849096 3 Li 1.1465642 -0.0000000 0.0000000 0.0000000 0.7634220 0.3028587 -0.0000000 0.0902555 0.9849096 4 Li 0.8592076 -0.1659054 -0.2622833 -0.1659054 1.0507787 -0.1514293 -0.0781636 -0.0451278 0.9849096 5 Li 0.8592076 0.1659054 0.2622833 0.1659054 1.0507787 -0.1514293 0.0781636 -0.0451278 0.9849096 6 Li 1.1465642 -0.0000000 0.0000000 0.0000000 0.7634220 0.3028587 -0.0000000 0.0902555 0.9849096 7 O -1.9862046 -0.1998729 0.3896644 -0.1998729 -1.7554113 0.2249728 0.4291331 0.2477601 -1.8496729 8 O -1.9862046 0.1998729 -0.3896644 0.1998729 -1.7554113 0.2249728 -0.4291331 0.2477601 -1.8496729 9 O -1.6400146 -0.0000000 -0.0000000 0.0000000 -2.1016012 -0.4499456 -0.0000000 -0.4955202 -1.8496729 10 O -1.9862046 -0.1998729 0.3896644 -0.1998729 -1.7554113 0.2249728 0.4291331 0.2477601 -1.8496729 11 O -1.9862046 0.1998729 -0.3896644 0.1998729 -1.7554113 0.2249728 -0.4291331 0.2477601 -1.8496729 12 O -1.6400146 -0.0000000 -0.0000000 0.0000000 -2.1016012 -0.4499456 -0.0000000 -0.4955202 -1.8496729 13 K 1.2969211 0.0000000 0.0000000 -0.0000000 1.2969211 0.0000000 0.0000000 -0.0000000 1.3072750 14 Bi 4.1979677 -0.0000000 0.0000000 -0.0000000 4.1979677 0.0000000 0.0000000 -0.0000000 3.8813051 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 05:30:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:30:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.214686166547835 2.433350192806180 2.434711579999997 b -4.214686166547827 2.433350192806180 2.434711579999997 c 0.000000000000004 -4.866700385612367 2.434711579999997 Atomic positions (fractional): 1 Li 0.34418684621123 0.00000000000000 0.65581315378877 6.941 2 Li 0.00000000000000 0.65581315378878 0.34418684621122 6.941 3 Li 0.34418684621123 0.65581315378878 0.00000000000000 6.941 4 Li 0.00000000000000 0.34418684621123 0.65581315378877 6.941 5 Li 0.65581315378877 0.00000000000000 0.34418684621122 6.941 6 Li 0.65581315378877 0.34418684621123 0.00000000000000 6.941 7 O 0.90772605713587 0.28077612119752 0.28077612119752 15.999 8 O 0.28077612119752 0.90772605713588 0.28077612119752 15.999 9 O 0.71922387880248 0.71922387880248 0.09227394286413 15.999 10 O 0.09227394286413 0.71922387880248 0.71922387880248 15.999 11 O 0.71922387880248 0.09227394286413 0.71922387880248 15.999 12 O 0.28077612119752 0.28077612119752 0.90772605713587 15.999 13 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 14 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.429372333095664 0.000000000000000 0.000000000000000 b -4.214686166547832 7.300050578418547 0.000000000000000 c 0.000000000000000 0.000000000000000 14.608269480000001 Atomic positions (fractional): 1 Li 0.01085351287789 0.67752017954456 0.16666666666667 6.941 > 1 2 Li 0.01085351287789 0.67752017954456 0.66666666666667 6.941 > 1 3 Li 0.66666666666667 0.98914648712211 0.16666666666667 6.941 > 3 4 Li 0.66666666666667 0.98914648712211 0.66666666666667 6.941 > 3 5 Li 0.01085351287789 0.33333333333333 0.16666666666667 6.941 > 5 6 Li 0.01085351287789 0.33333333333333 0.66666666666667 6.941 > 5 7 Li 0.66666666666667 0.67752017954456 0.16666666666667 6.941 > 7 8 Li 0.66666666666667 0.67752017954456 0.66666666666667 6.941 > 7 9 Li 0.32247982045544 0.98914648712211 0.16666666666667 6.941 > 9 10 Li 0.32247982045544 0.98914648712211 0.66666666666667 6.941 > 9 11 Li 0.32247982045544 0.33333333333333 0.16666666666667 6.941 > 11 12 Li 0.32247982045544 0.33333333333333 0.66666666666667 6.941 > 11 13 Li 0.67752017954456 0.01085351287789 0.33333333333333 6.941 > 1 14 Li 0.67752017954456 0.01085351287789 0.83333333333333 6.941 > 1 15 Li 0.33333333333333 0.32247982045544 0.33333333333333 6.941 > 3 16 Li 0.33333333333333 0.32247982045544 0.83333333333333 6.941 > 3 17 Li 0.67752017954456 0.66666666666667 0.33333333333333 6.941 > 5 18 Li 0.67752017954456 0.66666666666667 0.83333333333333 6.941 > 5 19 Li 0.33333333333333 0.01085351287789 0.33333333333333 6.941 > 7 20 Li 0.33333333333333 0.01085351287789 0.83333333333333 6.941 > 7 21 Li 0.98914648712211 0.32247982045544 0.33333333333333 6.941 > 9 22 Li 0.98914648712211 0.32247982045544 0.83333333333333 6.941 > 9 23 Li 0.98914648712211 0.66666666666667 0.33333333333333 6.941 > 11 24 Li 0.98914648712211 0.66666666666667 0.83333333333333 6.941 > 11 25 Li 0.34418684621122 0.34418684621122 0.00000000000000 6.941 > 1 26 Li 0.34418684621122 0.34418684621122 0.50000000000000 6.941 > 1 27 Li 0.00000000000000 0.65581315378878 0.00000000000000 6.941 > 3 28 Li 0.00000000000000 0.65581315378878 0.50000000000000 6.941 > 3 29 Li 0.34418684621122 0.00000000000000 0.00000000000000 6.941 > 5 30 Li 0.34418684621122 0.00000000000000 0.50000000000000 6.941 > 5 31 Li 0.00000000000000 0.34418684621122 0.00000000000000 6.941 > 7 32 Li 0.00000000000000 0.34418684621122 0.50000000000000 6.941 > 7 33 Li 0.65581315378878 0.65581315378878 0.00000000000000 6.941 > 9 34 Li 0.65581315378878 0.65581315378878 0.50000000000000 6.941 > 9 35 Li 0.65581315378878 0.00000000000000 0.00000000000000 6.941 > 11 36 Li 0.65581315378878 0.00000000000000 0.50000000000000 6.941 > 11 37 O 0.41796662395890 0.20898331197945 0.24487971658849 15.999 > 37 38 O 0.41796662395890 0.20898331197945 0.74487971658849 15.999 > 37 39 O 0.79101668802055 0.20898331197945 0.24487971658849 15.999 > 39 40 O 0.79101668802055 0.20898331197945 0.74487971658849 15.999 > 39 41 O 0.20898331197945 0.41796662395890 0.25512028341151 15.999 > 41 42 O 0.20898331197945 0.41796662395890 0.75512028341151 15.999 > 41 43 O 0.58203337604110 0.79101668802055 0.25512028341151 15.999 > 43 44 O 0.58203337604110 0.79101668802055 0.75512028341151 15.999 > 43 45 O 0.20898331197945 0.79101668802055 0.25512028341151 15.999 > 45 46 O 0.20898331197945 0.79101668802055 0.75512028341151 15.999 > 45 47 O 0.79101668802055 0.58203337604110 0.24487971658849 15.999 > 47 48 O 0.79101668802055 0.58203337604110 0.74487971658849 15.999 > 47 49 O 0.08463329062557 0.54231664531278 0.41154638325515 15.999 > 37 50 O 0.08463329062557 0.54231664531278 0.91154638325515 15.999 > 37 51 O 0.45768335468722 0.54231664531278 0.41154638325515 15.999 > 39 52 O 0.45768335468722 0.54231664531278 0.91154638325515 15.999 > 39 53 O 0.87564997864612 0.75129995729223 0.42178695007818 15.999 > 41 54 O 0.87564997864612 0.75129995729223 0.92178695007818 15.999 > 41 55 O 0.24870004270776 0.12435002135388 0.42178695007818 15.999 > 43 56 O 0.24870004270776 0.12435002135388 0.92178695007818 15.999 > 43 57 O 0.87564997864612 0.12435002135388 0.42178695007818 15.999 > 45 58 O 0.87564997864612 0.12435002135388 0.92178695007818 15.999 > 45 59 O 0.45768335468722 0.91536670937443 0.41154638325515 15.999 > 47 60 O 0.45768335468722 0.91536670937443 0.91154638325515 15.999 > 47 61 O 0.75129995729223 0.87564997864612 0.07821304992182 15.999 > 37 62 O 0.75129995729223 0.87564997864612 0.57821304992182 15.999 > 37 63 O 0.12435002135388 0.87564997864612 0.07821304992182 15.999 > 39 64 O 0.12435002135388 0.87564997864612 0.57821304992182 15.999 > 39 65 O 0.54231664531278 0.08463329062557 0.08845361674485 15.999 > 41 66 O 0.54231664531278 0.08463329062557 0.58845361674485 15.999 > 41 67 O 0.91536670937443 0.45768335468722 0.08845361674485 15.999 > 43 68 O 0.91536670937443 0.45768335468722 0.58845361674485 15.999 > 43 69 O 0.54231664531278 0.45768335468722 0.08845361674485 15.999 > 45 70 O 0.54231664531278 0.45768335468722 0.58845361674485 15.999 > 45 71 O 0.12435002135388 0.24870004270776 0.07821304992182 15.999 > 47 72 O 0.12435002135388 0.24870004270776 0.57821304992182 15.999 > 47 73 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 73 74 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 73 75 K 0.66666666666667 0.33333333333333 0.41666666666667 39.098 > 73 76 K 0.66666666666667 0.33333333333333 0.91666666666667 39.098 > 73 77 K 0.33333333333333 0.66666666666667 0.08333333333333 39.098 > 73 78 K 0.33333333333333 0.66666666666667 0.58333333333333 39.098 > 73 79 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 79 80 Bi 0.00000000000000 0.00000000000000 0.50000000000000 208.980 > 79 81 Bi 0.66666666666667 0.33333333333333 0.16666666666667 208.980 > 79 82 Bi 0.66666666666667 0.33333333333333 0.66666666666667 208.980 > 79 83 Bi 0.33333333333333 0.66666666666667 0.33333333333333 208.980 > 79 84 Bi 0.33333333333333 0.66666666666667 0.83333333333333 208.980 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7692445 0.0000000 0.0000000 -0.0000000 3.7692445 0.0000000 0.0000000 0.0000000 3.8381163 -------------------------- Born effective charges -------------------------- 1 Li 0.8592076 0.1659054 0.2622833 0.1659054 1.0507787 -0.1514293 0.0781636 -0.0451278 0.9849096 2 Li 0.8592076 -0.1659054 -0.2622833 -0.1659054 1.0507787 -0.1514293 -0.0781636 -0.0451278 0.9849096 3 Li 1.1465642 -0.0000000 0.0000000 0.0000000 0.7634220 0.3028587 -0.0000000 0.0902555 0.9849096 4 Li 0.8592076 -0.1659054 -0.2622833 -0.1659054 1.0507787 -0.1514293 -0.0781636 -0.0451278 0.9849096 5 Li 0.8592076 0.1659054 0.2622833 0.1659054 1.0507787 -0.1514293 0.0781636 -0.0451278 0.9849096 6 Li 1.1465642 -0.0000000 0.0000000 0.0000000 0.7634220 0.3028587 -0.0000000 0.0902555 0.9849096 7 O -1.9862046 -0.1998729 0.3896644 -0.1998729 -1.7554113 0.2249728 0.4291331 0.2477601 -1.8496729 8 O -1.9862046 0.1998729 -0.3896644 0.1998729 -1.7554113 0.2249728 -0.4291331 0.2477601 -1.8496729 9 O -1.6400146 -0.0000000 -0.0000000 0.0000000 -2.1016012 -0.4499456 -0.0000000 -0.4955202 -1.8496729 10 O -1.9862046 -0.1998729 0.3896644 -0.1998729 -1.7554113 0.2249728 0.4291331 0.2477601 -1.8496729 11 O -1.9862046 0.1998729 -0.3896644 0.1998729 -1.7554113 0.2249728 -0.4291331 0.2477601 -1.8496729 12 O -1.6400146 -0.0000000 -0.0000000 0.0000000 -2.1016012 -0.4499456 -0.0000000 -0.4955202 -1.8496729 13 K 1.2969211 0.0000000 0.0000000 -0.0000000 1.2969211 0.0000000 0.0000000 -0.0000000 1.3072750 14 Bi 4.1979677 -0.0000000 0.0000000 -0.0000000 4.1979677 0.0000000 0.0000000 -0.0000000 3.8813051 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) 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: 0.78, Number of G-points: 321, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 7.146 ( 0.000 0.000 0.000) 0.000 7.146 ( 0.000 0.000 0.000) 0.000 8.447 ( 0.000 0.000 0.000) 0.000 8.447 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 10.984 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.053 ( 0.000 0.000 0.000) 0.000 11.829 ( 0.000 0.000 0.000) 0.000 12.078 ( 0.000 0.000 0.000) 0.000 13.013 ( 0.000 0.000 0.000) 0.000 13.013 ( 0.000 0.000 0.000) 0.000 13.804 ( 0.000 0.000 0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 14.882 ( 0.000 0.000 0.000) 0.000 14.882 ( 0.000 0.000 0.000) 0.000 14.911 ( 0.000 0.000 0.000) 0.000 15.043 ( 0.000 0.000 0.000) 0.000 15.043 ( 0.000 0.000 0.000) 0.000 15.739 ( 0.000 0.000 0.000) 0.000 15.739 ( 0.000 0.000 0.000) 0.000 15.846 ( 0.000 0.000 0.000) 0.000 16.024 ( 0.000 0.000 0.000) 0.000 16.024 ( 0.000 0.000 0.000) 0.000 16.993 ( 0.000 0.000 0.000) 0.000 16.993 ( 0.000 0.000 0.000) 0.000 17.279 ( 0.000 0.000 0.000) 0.000 17.279 ( 0.000 0.000 0.000) 0.000 17.602 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 10.670 6.160 19.275) 22.876 0.663 ( 12.533 7.236 33.282) 36.292 1.234 ( 38.337 22.134 42.396) 61.295 2.788 ( -9.945 -5.742 12.935) 17.297 3.086 ( -1.599 -0.923 -1.487) 2.371 3.416 ( 11.255 6.498 -8.039) 15.282 4.562 ( 10.161 5.867 6.708) 13.515 6.265 ( -20.052 -11.577 9.023) 24.850 7.153 ( 1.642 0.948 -1.389) 2.350 7.233 ( 13.106 7.567 -3.535) 15.541 8.402 ( -5.992 -3.460 0.413) 6.931 8.692 ( -0.925 -0.534 -9.169) 9.231 9.086 ( 3.369 1.945 -10.797) 11.477 9.315 ( -7.816 -4.513 -4.217) 9.962 9.562 ( 14.516 8.381 -6.829) 18.099 10.701 ( -9.989 -5.767 -6.696) 13.337 10.881 ( -2.693 -1.555 -2.315) 3.877 10.996 ( 1.509 0.871 -2.514) 3.058 11.064 ( 2.127 1.228 2.640) 3.606 11.213 ( -0.440 -0.254 7.243) 7.260 11.271 ( 9.440 5.450 8.671) 13.929 11.830 ( 2.199 1.270 -0.947) 2.710 12.104 ( -6.006 -3.468 9.146) 11.478 12.984 ( -2.335 -1.348 -1.478) 3.075 13.036 ( -0.914 -0.528 5.078) 5.186 13.826 ( -6.719 -3.879 -3.434) 8.485 13.889 ( 8.215 4.743 2.191) 9.735 14.715 ( -3.361 -1.940 -11.839) 12.459 14.813 ( -1.228 -0.709 -21.795) 21.841 14.942 ( -2.647 -1.528 2.566) 3.991 15.110 ( 6.154 3.553 -7.595) 10.401 15.754 ( -3.195 -1.844 6.022) 7.062 15.791 ( -1.592 -0.919 7.818) 8.031 15.921 ( -1.804 -1.042 11.050) 11.244 16.000 ( 2.621 1.513 -4.652) 5.550 16.024 ( 4.533 2.617 -5.379) 7.506 16.706 ( -11.870 -6.853 -10.591) 17.322 16.999 ( -0.029 -0.017 2.185) 2.185 17.319 ( -0.860 -0.496 6.592) 6.667 17.553 ( 8.712 5.030 14.140) 17.353 17.651 ( 7.412 4.279 -1.134) 8.634 19.718 ( -1.117 -0.645 -2.970) 3.238 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 11.249 6.495 17.825) 22.056 1.298 ( 12.569 7.257 30.022) 33.346 2.309 ( 29.707 17.151 31.192) 46.364 2.838 ( -1.756 -1.014 10.865) 11.053 3.019 ( -3.006 -1.736 -2.869) 4.504 3.510 ( 8.499 4.907 -1.437) 9.919 4.912 ( 17.552 10.134 11.266) 23.188 6.020 ( -20.588 -11.887 3.216) 23.990 7.143 ( 1.546 0.892 -4.336) 4.689 7.436 ( 15.785 9.113 -0.774) 18.243 8.269 ( -11.330 -6.541 0.216) 13.084 8.520 ( -14.727 -8.503 3.977) 17.465 9.012 ( 4.680 2.702 -9.762) 11.158 9.117 ( -8.957 -5.171 -3.284) 10.851 9.668 ( 11.304 6.526 -8.475) 15.562 10.463 ( -8.679 -5.011 -6.195) 11.782 10.773 ( -2.072 -1.196 -7.068) 7.462 10.944 ( -5.456 -3.150 1.007) 6.380 11.159 ( 5.316 3.069 0.119) 6.139 11.333 ( 1.264 0.730 9.268) 9.382 11.550 ( 10.131 5.849 8.889) 14.692 11.873 ( 1.426 0.823 -0.080) 1.648 12.145 ( -7.270 -4.198 15.989) 18.059 12.902 ( -4.213 -2.433 -2.768) 5.597 13.138 ( 2.021 1.167 8.439) 8.756 13.634 ( -4.699 -2.713 -10.368) 11.702 14.088 ( 10.608 6.125 3.440) 12.723 14.387 ( -4.999 -2.886 -29.483) 30.042 14.513 ( 0.601 0.347 -14.152) 14.169 14.959 ( 0.566 0.327 -20.932) 20.942 14.984 ( -1.851 -1.069 6.951) 7.272 15.687 ( -4.723 -2.727 -9.482) 10.939 15.795 ( -1.222 -0.706 -5.145) 5.335 15.996 ( 3.439 1.986 2.446) 4.664 16.096 ( 4.442 2.564 6.953) 8.640 16.111 ( -2.649 -1.529 16.359) 16.643 16.487 ( -5.538 -3.198 0.095) 6.396 17.014 ( -0.757 -0.437 0.483) 0.999 17.419 ( -1.077 -0.622 9.658) 9.738 17.808 ( 13.599 7.851 -0.566) 15.713 17.841 ( 5.998 3.463 10.346) 12.450 19.628 ( -4.821 -2.784 -3.468) 6.559 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 10.565 6.100 14.961) 19.305 1.867 ( 11.728 6.771 24.397) 27.904 2.731 ( 0.420 0.243 4.911) 4.935 2.916 ( -3.928 -2.268 -3.908) 5.987 3.282 ( 20.095 11.602 22.249) 32.147 3.632 ( 6.718 3.879 1.235) 7.855 5.386 ( 20.458 11.811 12.432) 26.694 5.726 ( -17.346 -10.015 -1.315) 20.073 7.080 ( 0.380 0.219 -6.551) 6.566 7.702 ( 13.928 8.041 4.771) 16.775 8.046 ( -15.422 -8.904 -1.802) 17.899 8.376 ( -12.165 -7.024 7.068) 15.725 8.949 ( 2.066 1.193 -7.690) 8.052 8.980 ( -5.590 -3.227 0.520) 6.476 9.686 ( 6.315 3.646 -8.516) 11.211 10.255 ( -7.083 -4.089 -6.214) 10.271 10.646 ( 0.204 0.118 -8.508) 8.511 10.870 ( -8.163 -4.713 4.163) 10.304 11.209 ( 2.326 1.343 -1.762) 3.212 11.494 ( 2.076 1.199 9.617) 9.912 11.821 ( -2.050 -1.184 -4.429) 5.022 11.829 ( 8.719 5.034 9.846) 14.082 12.384 ( -1.414 -0.817 27.278) 27.327 12.784 ( -4.563 -2.634 -3.768) 6.478 13.309 ( 3.849 2.222 8.513) 9.604 13.420 ( -3.487 -2.013 -10.699) 11.431 13.902 ( -5.464 -3.155 -27.684) 28.394 14.215 ( 5.070 2.927 -13.452) 14.670 14.378 ( 7.079 4.087 -8.928) 12.105 14.625 ( -4.595 -2.653 -18.224) 18.981 15.064 ( -1.879 -1.085 8.871) 9.132 15.456 ( -3.508 -2.025 -10.933) 11.659 15.667 ( 0.801 0.463 -11.647) 11.684 16.103 ( 4.397 2.539 3.124) 5.962 16.234 ( -4.390 -2.535 9.873) 11.098 16.283 ( -5.279 -3.048 17.294) 18.337 16.529 ( 6.600 3.811 3.648) 8.450 16.987 ( -1.111 -0.641 -1.940) 2.326 17.533 ( -0.965 -0.557 8.849) 8.919 18.023 ( 3.060 1.767 5.837) 6.823 18.052 ( 16.153 9.326 1.177) 18.689 19.471 ( -7.849 -4.532 -4.551) 10.142 ======================= Grid point 4 (5/116) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 7.211 4.163 9.535) 12.659 2.309 ( 8.304 4.794 15.515) 18.239 2.753 ( -1.126 -0.650 0.720) 1.486 2.801 ( -3.438 -1.985 -3.570) 5.339 3.708 ( 5.630 3.251 2.747) 7.058 3.794 ( 9.085 5.245 9.363) 14.061 5.468 ( -10.520 -6.074 -2.699) 12.443 5.841 ( 16.048 9.265 9.051) 20.623 7.005 ( 0.888 0.513 -4.505) 4.620 7.758 ( -14.737 -8.508 -3.387) 17.350 7.967 ( 8.716 5.032 5.074) 11.271 8.350 ( -4.878 -2.816 9.276) 10.852 8.860 ( -0.242 -0.139 -7.157) 7.162 8.941 ( -2.134 -1.232 1.824) 3.066 9.664 ( 2.960 1.709 -4.511) 5.660 10.067 ( -5.596 -3.231 -5.954) 8.786 10.560 ( 1.300 0.751 -5.583) 5.781 10.807 ( -6.291 -3.632 3.726) 8.164 11.195 ( -0.267 -0.154 -1.907) 1.932 11.641 ( 1.617 0.933 6.707) 6.962 11.745 ( -0.332 -0.192 -3.193) 3.216 12.080 ( 5.782 3.338 8.899) 11.125 12.673 ( -2.693 -1.555 -3.350) 4.571 12.802 ( -0.095 -0.055 34.543) 34.544 13.243 ( -2.469 -1.425 -8.006) 8.498 13.462 ( 3.733 2.156 3.820) 5.760 13.504 ( -3.825 -2.208 -17.597) 18.143 13.858 ( 0.903 0.521 -37.245) 37.260 14.357 ( -1.207 -0.697 -4.389) 4.605 14.498 ( 2.046 1.181 -0.432) 2.402 15.162 ( -1.656 -0.956 9.197) 9.394 15.316 ( -0.700 -0.404 -4.881) 4.947 15.522 ( 1.442 0.833 -11.450) 11.571 16.203 ( 3.686 2.128 1.427) 4.489 16.253 ( -4.252 -2.455 4.664) 6.772 16.406 ( -4.743 -2.739 11.929) 13.127 16.702 ( 6.169 3.562 3.749) 8.050 16.937 ( -0.549 -0.317 -2.897) 2.965 17.619 ( -0.605 -0.350 5.152) 5.199 18.107 ( 0.959 0.553 2.293) 2.546 18.323 ( 13.521 7.806 2.554) 15.820 19.271 ( -8.589 -4.959 -4.458) 10.874 ======================= Grid point 5 (6/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.000 0.000 0.000) 0.000 2.500 ( -0.000 -0.000 -0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.990 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.414 ( 0.000 0.000 -0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.533 ( 0.000 0.000 0.000) 0.000 10.782 ( 0.000 0.000 0.000) 0.000 11.175 ( 0.000 0.000 0.000) 0.000 11.704 ( 0.000 0.000 0.000) 0.000 11.722 ( 0.000 0.000 0.000) 0.000 12.201 ( 0.000 0.000 -0.000) 0.000 12.626 ( 0.000 0.000 0.000) 0.000 13.153 ( 0.000 0.000 0.000) 0.000 13.296 ( -0.000 -0.000 0.000) 0.000 13.311 ( 0.000 0.000 -0.000) 0.000 13.349 ( 0.000 0.000 0.000) 0.000 13.553 ( -0.000 -0.000 0.000) 0.000 14.315 ( 0.000 0.000 0.000) 0.000 14.515 ( 0.000 0.000 0.000) 0.000 15.229 ( 0.000 0.000 0.000) 0.000 15.282 ( 0.000 0.000 0.000) 0.000 15.437 ( 0.000 0.000 0.000) 0.000 16.244 ( 0.000 0.000 0.000) 0.000 16.250 ( 0.000 0.000 0.000) 0.000 16.452 ( 0.000 0.000 0.000) 0.000 16.782 ( 0.000 0.000 0.000) 0.000 16.909 ( 0.000 0.000 0.000) 0.000 17.650 ( 0.000 0.000 0.000) 0.000 18.128 ( 0.000 0.000 0.000) 0.000 18.472 ( 0.000 0.000 0.000) 0.000 19.149 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/116) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.000 16.029 23.277) 28.262 1.139 ( 0.000 20.048 29.860) 35.966 1.805 ( -0.000 14.744 50.140) 52.263 2.917 ( -0.000 -9.998 6.754) 12.066 3.157 ( 0.000 3.122 1.941) 3.676 3.266 ( 0.000 8.331 -4.641) 9.537 4.694 ( 0.000 11.349 12.362) 16.781 6.431 ( -0.000 -23.950 11.218) 26.447 6.902 ( -0.000 -8.687 -12.291) 15.051 7.321 ( 0.000 26.042 0.003) 26.042 8.514 ( -0.000 -2.206 -4.034) 4.598 8.564 ( -0.000 0.381 7.096) 7.107 9.014 ( -0.000 -9.507 -2.797) 9.910 9.189 ( -0.000 -9.387 -10.072) 13.768 9.486 ( 0.000 17.843 -6.892) 19.128 10.572 ( -0.000 -13.858 -9.943) 17.056 10.839 ( 0.000 4.253 -3.844) 5.733 10.932 ( 0.000 3.926 -6.843) 7.889 11.151 ( -0.000 -3.841 7.767) 8.665 11.333 ( 0.000 7.086 8.322) 10.930 11.391 ( 0.000 5.059 10.433) 11.595 11.852 ( 0.000 1.903 3.785) 4.236 12.252 ( -0.000 -8.935 13.451) 16.148 12.923 ( -0.000 -7.493 -0.750) 7.531 13.103 ( 0.000 1.380 2.891) 3.203 13.725 ( -0.000 -4.978 -10.689) 11.792 13.923 ( 0.000 7.894 4.143) 8.915 14.454 ( 0.000 -2.537 -29.046) 29.156 14.534 ( 0.000 5.601 -21.637) 22.350 14.969 ( 0.000 1.526 -11.151) 11.255 14.987 ( 0.000 2.098 2.525) 3.283 15.749 ( 0.000 -3.285 -10.432) 10.937 15.797 ( 0.000 0.873 -10.797) 10.832 15.948 ( 0.000 2.321 2.353) 3.306 16.004 ( 0.000 5.177 7.870) 9.420 16.150 ( -0.000 -2.196 19.085) 19.211 16.608 ( -0.000 -15.887 -1.156) 15.929 17.021 ( 0.000 14.130 -2.537) 14.356 17.486 ( -0.000 -9.207 14.748) 17.386 17.537 ( 0.000 0.852 -0.360) 0.925 17.783 ( 0.000 13.467 9.189) 16.303 19.714 ( -0.000 -5.306 1.272) 5.456 ======================= Grid point 13 (8/116) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -6.300 16.751 21.587) 28.040 1.686 ( 3.621 13.753 28.270) 31.645 2.558 ( 12.570 9.201 25.768) 30.111 2.976 ( 1.958 -1.230 10.588) 10.838 3.099 ( -10.013 3.691 2.815) 11.036 3.398 ( 12.364 4.252 -0.165) 13.076 5.031 ( 8.187 15.230 15.339) 23.114 6.213 ( -22.180 -17.303 1.815) 28.189 6.817 ( 19.308 -15.943 -9.047) 26.624 7.547 ( 0.862 27.114 5.373) 27.654 8.357 ( -9.906 -10.085 -0.264) 14.139 8.657 ( -5.274 -5.823 7.040) 10.549 8.853 ( -1.567 -5.856 -8.590) 10.513 9.037 ( 4.242 -6.077 -6.216) 9.673 9.534 ( 4.119 13.240 -6.716) 15.407 10.320 ( 0.136 -17.088 -10.163) 19.882 10.744 ( -7.570 6.535 -6.254) 11.795 10.930 ( 5.633 4.292 -5.422) 8.919 11.213 ( -4.690 -2.706 8.988) 10.493 11.484 ( 0.034 4.022 7.859) 8.828 11.633 ( 6.054 5.834 12.387) 14.971 11.887 ( -1.749 -0.731 -0.065) 1.896 12.415 ( -0.160 -8.891 22.585) 24.272 12.846 ( -3.493 -4.559 -2.776) 6.379 13.166 ( 6.526 -0.946 1.683) 6.806 13.526 ( -3.481 -1.764 -10.525) 11.225 14.003 ( -2.147 -3.892 -29.659) 29.990 14.086 ( 4.596 8.458 3.044) 10.096 14.253 ( 2.248 6.393 -25.105) 26.004 14.769 ( -6.155 0.943 -12.315) 13.800 15.062 ( 1.939 4.721 2.855) 5.848 15.527 ( -1.934 -2.055 -14.668) 14.937 15.619 ( 1.873 2.552 -16.568) 16.868 16.019 ( 2.258 0.473 3.708) 4.367 16.216 ( 3.375 6.064 11.423) 13.366 16.383 ( -2.069 -3.699 18.289) 18.774 16.510 ( -2.800 -12.303 3.864) 13.196 17.067 ( -4.276 9.847 -0.659) 10.755 17.547 ( -0.410 -1.224 7.053) 7.170 17.688 ( 11.413 0.113 5.296) 12.583 17.981 ( 0.941 10.043 6.195) 11.838 19.655 ( -5.533 -8.048 1.551) 9.889 ======================= Grid point 14 (9/116) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -5.527 15.754 17.994) 24.546 2.162 ( 3.362 8.643 23.003) 24.802 2.773 ( 0.668 -1.484 1.753) 2.392 2.969 ( -9.751 3.651 -0.780) 10.441 3.426 ( 13.668 6.421 18.089) 23.564 3.573 ( 10.432 3.079 2.561) 11.174 5.480 ( 12.172 16.712 14.955) 25.516 5.831 ( -19.286 -11.536 -4.997) 23.022 6.809 ( 15.398 -15.011 -6.941) 22.596 7.830 ( 1.464 15.273 9.335) 17.960 8.151 ( -13.905 -4.917 0.311) 14.752 8.532 ( -10.745 -6.112 -0.601) 12.376 8.752 ( 6.059 -12.154 -2.614) 13.829 9.007 ( 0.858 1.931 -2.448) 3.233 9.569 ( 3.375 8.219 -5.134) 10.262 10.080 ( 3.055 -19.433 -8.954) 21.613 10.629 ( -6.051 9.881 -6.365) 13.219 10.931 ( -0.124 3.547 -3.397) 4.913 11.235 ( -6.086 -2.833 5.473) 8.662 11.586 ( 1.631 -4.124 4.822) 6.551 11.843 ( -4.090 4.137 1.514) 6.011 11.923 ( 6.593 4.236 12.124) 14.436 12.631 ( 3.436 -8.624 -2.644) 9.652 12.833 ( -3.361 0.356 26.220) 26.437 13.253 ( 6.354 -4.781 -0.980) 8.012 13.370 ( -0.099 2.859 -7.346) 7.883 13.575 ( -1.539 -4.280 -23.578) 24.013 13.853 ( -0.852 2.846 -30.607) 30.751 14.307 ( 5.369 7.313 2.952) 9.540 14.569 ( -7.807 5.128 -5.914) 11.056 15.164 ( 1.927 4.254 3.658) 5.932 15.324 ( -0.653 0.139 -10.686) 10.707 15.444 ( 4.014 5.007 -17.280) 18.433 16.101 ( 3.668 -0.607 3.073) 4.824 16.370 ( -3.617 -5.582 6.553) 9.337 16.495 ( 4.549 -6.723 3.509) 8.844 16.556 ( -3.083 0.540 13.580) 13.936 17.052 ( -6.965 9.395 0.114) 11.696 17.628 ( -0.356 -2.921 6.015) 6.697 17.947 ( 15.146 5.614 6.119) 17.273 18.103 ( 0.330 7.376 2.078) 7.670 19.521 ( -9.996 -9.746 1.620) 14.054 ======================= Grid point 15 (10/116) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -7.392 13.321 11.706) 19.212 2.474 ( 0.620 4.013 10.522) 11.278 2.765 ( -1.705 -2.032 1.693) 3.147 2.879 ( -9.373 4.534 0.784) 10.442 3.678 ( 6.559 1.550 1.366) 6.877 3.807 ( 10.008 1.071 6.007) 11.722 5.499 ( -11.332 -6.673 -5.698) 14.332 5.912 ( 9.255 15.126 10.569) 20.643 6.809 ( 12.891 -11.573 -3.182) 17.613 7.795 ( -11.718 -10.386 -3.269) 15.996 8.155 ( -7.945 15.362 7.064) 18.682 8.407 ( 0.298 -4.099 -2.523) 4.823 8.720 ( 4.443 -13.195 1.482) 14.002 8.987 ( -2.276 3.455 -2.042) 4.614 9.598 ( 3.346 4.873 -2.523) 6.427 9.901 ( 5.546 -18.311 -4.443) 19.642 10.573 ( -3.234 12.785 -4.698) 13.999 10.879 ( -5.071 1.829 -2.420) 5.909 11.186 ( -2.798 -3.042 -0.139) 4.135 11.620 ( 2.031 -8.167 4.322) 9.461 11.876 ( -6.302 9.556 3.348) 11.927 12.157 ( 3.810 0.721 7.996) 8.887 12.508 ( 5.833 -3.703 -10.648) 12.693 13.192 ( 2.909 -3.010 -8.686) 9.642 13.243 ( 0.384 0.136 -13.719) 13.725 13.308 ( 2.114 -2.276 0.261) 3.117 13.324 ( -0.320 -1.199 23.218) 23.251 13.545 ( 0.925 0.437 -8.487) 8.548 14.384 ( -4.441 8.921 -0.233) 9.968 14.521 ( -1.526 4.740 1.047) 5.088 15.216 ( 2.169 0.924 -3.361) 4.105 15.223 ( 2.082 0.914 -8.311) 8.617 15.372 ( 5.794 10.633 -6.170) 13.591 16.171 ( 3.522 -1.838 1.522) 4.254 16.320 ( -4.285 -6.383 1.556) 7.844 16.489 ( 1.333 -6.647 -3.331) 7.554 16.697 ( -0.191 -2.790 8.910) 9.339 17.057 ( -7.409 12.604 1.834) 14.735 17.650 ( -0.343 -3.264 0.937) 3.413 18.140 ( -0.653 5.451 -0.401) 5.505 18.268 ( 12.958 5.513 6.699) 15.594 19.348 ( -12.251 -9.929 3.496) 16.152 ======================= Grid point 16 (11/116) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -14.556 10.093 2.918) 17.952 2.478 ( -4.539 -1.709 -6.386) 8.019 2.784 ( -4.007 -0.007 5.752) 7.010 2.837 ( -6.749 4.757 2.434) 8.609 3.735 ( 2.172 -1.183 -0.456) 2.515 3.887 ( 2.250 -3.825 -3.873) 5.890 5.346 ( -0.319 -0.632 -2.326) 2.432 6.117 ( -4.972 6.717 1.851) 8.559 6.875 ( 11.231 -11.181 1.962) 15.969 7.589 ( -3.570 -1.346 -2.304) 4.457 8.183 ( -3.741 4.742 -0.408) 6.054 8.323 ( -6.025 2.027 -7.828) 10.084 8.722 ( 7.397 -12.882 0.724) 14.872 8.972 ( -1.665 3.432 1.038) 3.953 9.651 ( 4.016 2.562 0.229) 4.769 9.877 ( 8.637 -12.912 4.616) 16.206 10.602 ( 0.099 14.358 -2.145) 14.517 10.783 ( -5.181 0.352 -2.859) 5.928 11.164 ( 1.827 -1.324 0.171) 2.262 11.634 ( -0.577 -6.965 2.973) 7.595 11.883 ( -7.809 8.646 1.157) 11.708 12.180 ( -2.674 -3.313 -3.537) 5.535 12.486 ( 10.725 -1.911 -5.054) 12.010 12.797 ( 0.394 0.319 -32.664) 32.668 13.188 ( 3.160 -5.890 2.794) 7.244 13.421 ( 2.263 1.507 16.558) 16.779 13.489 ( 2.593 1.220 -6.862) 7.436 13.869 ( -0.082 -1.148 42.005) 42.020 14.391 ( -4.896 9.959 1.236) 11.166 14.551 ( -2.017 2.610 1.601) 3.667 15.109 ( 2.420 2.467 -11.856) 12.350 15.245 ( 5.247 2.076 -0.625) 5.677 15.484 ( 5.028 8.844 0.883) 10.212 16.180 ( 1.653 -4.812 -2.056) 5.487 16.254 ( -1.258 -0.950 -1.918) 2.483 16.368 ( 0.204 -5.351 -8.752) 10.261 16.745 ( -1.564 -7.434 4.960) 9.072 17.071 ( -7.997 12.105 0.281) 14.510 17.604 ( 0.230 -3.159 -4.196) 5.258 18.140 ( -1.718 5.241 -2.459) 6.039 18.462 ( 3.104 -1.489 2.497) 4.253 19.249 ( -7.588 -5.202 9.509) 13.231 ======================= Grid point 17 (12/116) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -22.485 8.308 -3.498) 24.224 2.199 ( -13.914 -4.882 -14.210) 20.479 2.762 ( -4.331 -0.151 -0.510) 4.364 2.887 ( -1.826 5.950 5.582) 8.360 3.681 ( -10.645 -8.837 -11.061) 17.713 3.714 ( -0.650 -3.765 -3.405) 5.118 5.407 ( 9.384 3.836 0.393) 10.146 5.921 ( -22.075 -2.829 -6.412) 23.161 6.953 ( 8.504 -12.516 4.857) 15.892 7.672 ( 12.317 4.911 1.641) 13.361 8.104 ( -9.569 4.839 -10.692) 15.143 8.170 ( -1.649 5.478 -1.404) 5.891 8.729 ( 11.532 -9.620 -3.845) 15.502 9.014 ( -0.514 1.169 3.768) 3.979 9.745 ( 2.244 1.988 5.742) 6.477 10.019 ( 11.048 -8.899 8.161) 16.366 10.688 ( 6.277 6.739 -7.483) 11.866 10.720 ( -4.875 7.220 4.560) 9.833 11.202 ( 2.683 -1.011 1.732) 3.350 11.575 ( -4.426 -1.211 -2.850) 5.401 11.869 ( -5.730 3.219 2.874) 7.173 12.021 ( -7.133 -3.556 -5.811) 9.864 12.370 ( 0.515 -2.103 -26.113) 26.203 12.574 ( 10.844 -1.405 -2.582) 11.236 13.253 ( 6.143 -7.741 -0.251) 9.885 13.433 ( -0.461 4.516 -1.255) 4.710 13.786 ( 3.793 3.061 27.419) 27.848 14.337 ( -5.237 2.006 16.819) 17.729 14.498 ( -1.627 -0.069 17.658) 17.733 14.572 ( -1.099 6.095 9.096) 11.004 15.000 ( 2.818 3.033 -11.130) 11.875 15.355 ( 5.528 3.195 5.073) 8.156 15.610 ( 5.873 6.705 -0.188) 8.915 16.108 ( 3.318 -3.559 -7.427) 8.879 16.181 ( 3.039 0.074 -13.749) 14.081 16.228 ( -4.793 -2.764 -0.012) 5.533 16.691 ( -5.432 -8.826 1.099) 10.422 17.043 ( -5.447 9.015 -2.741) 10.883 17.506 ( 0.788 -3.304 -7.249) 8.005 18.099 ( -3.501 4.597 -4.395) 7.260 18.380 ( -9.289 -8.863 -1.045) 12.882 19.362 ( 0.040 0.682 13.073) 13.091 ======================= Grid point 18 (13/116) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -26.602 7.395 -7.168) 28.526 1.736 ( -22.909 -2.864 -15.529) 27.824 2.686 ( -4.096 -0.579 -4.115) 5.835 2.988 ( -0.506 5.198 4.843) 7.123 3.158 ( -24.011 -13.922 -20.382) 34.435 3.636 ( -2.770 -4.631 -1.889) 5.717 5.459 ( -24.303 -6.489 -8.145) 26.440 5.608 ( 11.401 6.141 -0.380) 12.955 7.036 ( 7.295 -12.090 5.138) 15.026 7.838 ( -4.162 0.889 -0.103) 4.257 7.966 ( 5.375 8.885 -1.572) 10.502 8.205 ( 6.915 8.006 -4.468) 11.483 8.794 ( 15.635 -3.586 -2.637) 16.256 9.076 ( 0.825 -1.516 5.655) 5.913 9.861 ( -3.137 0.474 9.125) 9.661 10.212 ( 11.620 -3.980 6.600) 13.944 10.673 ( 6.185 1.751 -5.871) 8.706 10.846 ( 2.032 7.500 4.541) 9.000 11.231 ( -0.773 -2.480 1.672) 3.089 11.463 ( -7.543 5.884 -4.436) 10.545 11.772 ( -7.338 -6.510 -6.154) 11.580 11.916 ( -3.881 2.846 2.018) 5.218 12.049 ( -0.223 -2.807 -16.938) 17.170 12.682 ( 12.758 -2.427 -1.099) 13.033 13.148 ( 1.334 -5.125 -10.645) 11.889 13.562 ( 2.604 3.169 9.873) 10.691 14.259 ( 4.011 2.118 26.336) 26.724 14.320 ( -6.720 -0.239 1.680) 6.931 14.582 ( -4.669 6.246 8.069) 11.222 14.905 ( 3.922 1.353 -6.093) 7.371 14.986 ( -1.085 0.280 26.108) 26.132 15.552 ( 6.475 4.035 7.421) 10.643 15.696 ( 7.152 4.462 -4.663) 9.633 16.001 ( 4.004 -1.183 -14.306) 14.902 16.045 ( 4.112 -0.960 -6.302) 7.586 16.169 ( -5.966 0.422 1.613) 6.195 16.542 ( -8.311 -8.288 -0.714) 11.758 16.994 ( 0.507 6.791 -8.541) 10.923 17.399 ( 0.500 -3.563 -5.054) 6.204 17.981 ( -7.114 0.662 -6.875) 9.916 18.165 ( -13.330 -7.560 -0.892) 15.351 19.552 ( 1.079 1.520 11.336) 11.489 ======================= Grid point 19 (14/116) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -24.372 1.810 -13.974) 28.153 1.268 ( -34.160 7.837 -3.074) 35.182 2.227 ( -39.715 -17.198 -21.604) 48.371 2.713 ( -1.930 -0.406 -6.730) 7.013 3.074 ( -0.408 3.985 3.109) 5.071 3.550 ( -3.007 -4.376 -0.380) 5.323 5.004 ( -25.681 -4.578 -5.681) 26.698 5.819 ( 17.019 4.795 -1.528) 17.748 7.089 ( 4.582 -8.506 2.627) 10.013 7.674 ( -18.654 2.022 -0.057) 18.763 8.192 ( 15.016 5.656 2.962) 16.317 8.314 ( 14.505 4.715 -4.506) 15.904 8.978 ( 18.271 0.584 0.572) 18.289 9.176 ( 1.570 -1.982 8.590) 8.954 9.889 ( -10.781 -1.037 6.741) 12.758 10.425 ( 12.700 1.088 4.965) 13.679 10.701 ( 9.309 1.620 -5.589) 10.978 10.958 ( 3.917 -1.460 2.392) 4.816 11.205 ( -6.779 -0.473 3.899) 7.834 11.351 ( -10.460 8.844 -4.326) 14.364 11.531 ( -10.590 -7.177 -5.789) 14.041 11.876 ( 8.229 -0.774 -9.453) 12.557 11.938 ( -4.308 0.650 2.099) 4.836 12.798 ( 12.087 -2.739 -1.388) 12.471 12.995 ( 1.259 -2.673 -8.410) 8.914 13.738 ( 2.434 1.936 7.387) 8.015 14.143 ( -10.722 -2.556 -2.745) 11.359 14.683 ( 1.523 4.326 9.870) 10.883 14.764 ( 0.813 6.594 22.616) 23.572 14.868 ( 3.524 -0.141 -2.580) 4.369 15.236 ( -4.179 -3.289 11.587) 12.749 15.639 ( 6.163 1.655 -7.406) 9.776 15.711 ( 5.563 3.051 -7.565) 9.873 15.853 ( 3.616 0.261 -12.083) 12.615 16.084 ( -3.251 -2.107 5.863) 7.027 16.172 ( -5.923 0.651 7.413) 9.511 16.460 ( 4.163 -3.267 6.023) 8.018 16.898 ( 6.205 5.248 -17.119) 18.950 17.353 ( -0.958 -2.507 1.967) 3.327 17.758 ( -10.754 -3.972 -7.498) 13.699 17.952 ( -14.153 -2.311 -1.579) 14.427 19.701 ( 0.230 0.842 7.734) 7.783 ======================= Grid point 20 (15/116) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -24.318 0.000 0.000) 24.318 0.916 ( -37.546 0.000 0.000) 37.546 1.345 ( -54.236 0.000 0.000) 54.236 2.653 ( -0.644 0.000 0.000) 0.644 3.108 ( -0.152 0.000 0.000) 0.152 3.509 ( -1.468 0.000 0.000) 1.468 4.674 ( -19.494 0.000 0.000) 19.494 6.022 ( 16.655 -0.000 -0.000) 16.655 7.115 ( 2.594 -0.000 -0.000) 2.594 7.448 ( -19.494 0.000 0.000) 19.494 8.364 ( 6.483 -0.000 -0.000) 6.483 8.545 ( 24.548 -0.000 -0.000) 24.548 9.203 ( 16.318 -0.000 -0.000) 16.318 9.282 ( 1.407 -0.000 -0.000) 1.407 9.784 ( -13.832 0.000 0.000) 13.832 10.642 ( 13.906 -0.000 -0.000) 13.906 10.762 ( 8.873 -0.000 -0.000) 8.873 10.990 ( 2.397 -0.000 -0.000) 2.397 11.145 ( -9.399 0.000 0.000) 9.399 11.249 ( -9.010 0.000 0.000) 9.010 11.297 ( -12.112 0.000 0.000) 12.112 11.888 ( -4.746 0.000 0.000) 4.746 11.941 ( 10.433 -0.000 -0.000) 10.433 12.895 ( 9.275 -0.000 -0.000) 9.275 12.949 ( 2.962 -0.000 -0.000) 2.962 13.817 ( 0.942 -0.000 -0.000) 0.942 13.978 ( -11.442 0.000 0.000) 11.442 14.802 ( 3.734 -0.000 -0.000) 3.734 14.865 ( 3.374 -0.000 -0.000) 3.374 15.077 ( -2.357 0.000 0.000) 2.357 15.141 ( -4.303 0.000 0.000) 4.303 15.658 ( 4.535 -0.000 -0.000) 4.535 15.703 ( 2.874 -0.000 -0.000) 2.874 15.806 ( 3.655 -0.000 -0.000) 3.655 16.068 ( -3.829 0.000 0.000) 3.829 16.115 ( -7.645 0.000 0.000) 7.645 16.746 ( 11.829 -0.000 -0.000) 11.829 16.797 ( 10.797 -0.000 -0.000) 10.797 17.368 ( -1.727 0.000 0.000) 1.727 17.512 ( -13.879 0.000 0.000) 13.879 17.766 ( -12.962 0.000 0.000) 12.962 19.767 ( 0.297 -0.000 -0.000) 0.297 ======================= Grid point 23 (16/116) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.000 14.827 18.720) 23.881 2.137 ( 0.000 16.025 24.118) 28.956 2.733 ( -0.000 -0.114 4.784) 4.785 3.148 ( 0.000 6.059 9.057) 10.897 3.293 ( 0.000 5.349 3.420) 6.349 3.337 ( -0.000 1.334 11.527) 11.604 5.327 ( 0.000 18.859 16.891) 25.317 6.313 ( -0.000 -12.871 -18.534) 22.565 6.368 ( -0.000 -19.869 6.851) 21.016 7.822 ( 0.000 19.742 9.648) 21.973 8.342 ( -0.000 -9.009 1.445) 9.124 8.635 ( -0.000 -12.386 -7.845) 14.661 8.828 ( -0.000 -6.075 -3.870) 7.203 8.856 ( -0.000 -0.190 2.776) 2.783 9.536 ( 0.000 13.359 -4.233) 14.014 10.027 ( -0.000 -21.499 -11.378) 24.324 10.751 ( 0.000 5.977 -10.305) 11.913 10.864 ( 0.000 8.050 -0.720) 8.082 11.389 ( -0.000 -0.742 11.930) 11.953 11.537 ( -0.000 -5.768 -0.001) 5.768 11.825 ( 0.000 6.234 13.333) 14.719 11.888 ( -0.000 -0.351 1.486) 1.527 12.592 ( -0.000 -8.135 8.285) 11.612 12.957 ( -0.000 -0.876 18.680) 18.701 13.055 ( 0.000 -1.605 -5.717) 5.938 13.396 ( 0.000 -1.972 -9.046) 9.258 13.587 ( 0.000 -4.173 -27.204) 27.522 13.873 ( 0.000 2.778 -29.735) 29.865 14.223 ( 0.000 10.504 8.069) 13.246 14.710 ( 0.000 6.013 -6.839) 9.107 15.105 ( 0.000 12.008 -2.252) 12.217 15.338 ( 0.000 -0.045 -13.015) 13.015 15.390 ( 0.000 2.575 -16.823) 17.019 16.055 ( -0.000 -2.339 4.736) 5.282 16.371 ( 0.000 3.060 7.489) 8.090 16.458 ( -0.000 -15.994 4.629) 16.650 16.619 ( -0.000 1.538 11.809) 11.909 17.173 ( 0.000 10.119 -0.498) 10.132 17.660 ( 0.000 7.901 9.047) 12.011 17.694 ( -0.000 -6.542 7.333) 9.827 18.102 ( 0.000 9.215 2.234) 9.481 19.654 ( -0.000 -11.930 3.169) 12.344 ======================= Grid point 24 (17/116) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -5.202 14.859 15.259) 21.925 2.513 ( -3.463 10.220 17.428) 20.498 2.753 ( 2.672 -0.424 -0.131) 2.708 3.135 ( -10.843 5.795 0.405) 12.302 3.465 ( 10.130 4.436 3.237) 11.523 3.586 ( 6.043 -0.280 12.600) 13.976 5.720 ( 4.422 19.608 15.373) 25.305 5.849 ( -14.749 -10.883 -13.360) 22.682 6.451 ( 15.118 -14.654 0.607) 21.064 7.967 ( -2.925 -6.190 3.624) 7.746 8.385 ( -5.459 10.861 10.058) 15.778 8.404 ( -0.968 -9.061 -11.633) 14.778 8.680 ( -3.288 -9.025 -1.845) 9.781 8.965 ( 4.330 -1.167 2.869) 5.324 9.570 ( -0.903 10.042 -3.102) 10.549 9.755 ( 5.056 -21.590 -8.956) 23.914 10.641 ( -1.689 7.629 -9.212) 12.080 10.924 ( 0.131 8.493 -0.720) 8.524 11.344 ( -7.526 -9.985 -4.266) 13.211 11.578 ( 2.134 -2.954 8.757) 9.485 11.951 ( -0.435 2.792 4.780) 5.553 12.043 ( 4.087 1.912 9.690) 10.689 12.500 ( -4.052 -2.300 -8.772) 9.933 13.000 ( 8.176 3.721 -13.084) 15.871 13.244 ( 1.701 -4.331 -18.746) 19.315 13.291 ( -1.176 -4.004 0.215) 4.179 13.345 ( -0.751 -2.003 34.143) 34.210 13.517 ( 0.940 -0.717 -19.596) 19.632 14.417 ( 0.542 10.916 7.480) 13.244 14.653 ( -6.712 10.622 -3.752) 13.113 15.156 ( 2.440 8.527 -8.863) 12.538 15.204 ( 0.680 2.151 -8.364) 8.663 15.208 ( 4.908 8.441 -12.628) 15.963 16.114 ( 1.150 -4.530 5.983) 7.592 16.389 ( 1.138 -14.478 0.485) 14.530 16.416 ( -0.167 -4.837 -0.789) 4.904 16.776 ( -3.105 6.401 9.377) 11.770 17.194 ( -3.335 9.140 -1.517) 9.847 17.692 ( -3.397 -4.311 3.351) 6.431 17.965 ( 9.902 7.246 13.314) 18.105 18.165 ( -0.486 7.972 -1.092) 8.061 19.583 ( -5.837 -13.580 4.854) 15.558 ======================= Grid point 25 (18/116) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -9.900 14.632 10.405) 20.503 2.568 ( -4.807 0.633 -3.164) 5.789 2.881 ( -1.941 3.183 11.596) 12.180 3.059 ( -10.496 6.112 1.650) 12.257 3.623 ( 7.131 1.392 1.506) 7.420 3.754 ( 6.210 -3.102 2.339) 7.325 5.465 ( -8.468 -7.867 -10.499) 15.615 6.103 ( 3.587 19.205 10.618) 22.237 6.556 ( 13.653 -10.740 3.484) 17.717 7.821 ( -10.875 -9.579 -2.507) 14.707 8.171 ( 1.588 -8.230 -11.582) 14.297 8.545 ( -5.894 6.041 4.196) 9.425 8.582 ( -0.185 -3.951 0.269) 3.964 9.001 ( -0.190 -7.046 3.512) 7.875 9.530 ( 5.533 -1.893 -6.487) 8.733 9.693 ( 5.751 -5.326 1.808) 8.044 10.577 ( 1.440 8.898 -8.187) 12.177 10.941 ( -5.690 6.865 -0.915) 8.964 11.141 ( -0.280 -8.945 -5.297) 10.400 11.681 ( -2.933 -2.624 8.997) 9.820 11.984 ( -0.201 1.696 -2.042) 2.662 12.186 ( 4.427 -3.321 2.885) 6.241 12.351 ( -3.195 3.376 -5.142) 6.931 12.781 ( 0.937 2.591 -26.034) 26.179 13.075 ( 5.909 -5.865 -8.257) 11.726 13.357 ( 6.324 0.316 -8.853) 10.884 13.396 ( 0.422 -0.037 17.148) 17.154 13.871 ( 0.006 -2.303 41.402) 41.466 14.553 ( -5.830 14.295 2.185) 15.592 14.608 ( -4.447 6.938 -0.283) 8.246 15.060 ( 1.626 3.694 -11.818) 12.488 15.116 ( 4.410 3.579 -5.191) 7.694 15.301 ( 9.093 13.846 -6.389) 17.754 16.159 ( -0.067 -5.907 2.859) 6.562 16.308 ( 1.480 -11.528 0.034) 11.622 16.313 ( -0.099 -5.845 -7.647) 9.625 16.857 ( -6.543 2.111 5.995) 9.121 17.196 ( -1.732 9.819 -3.770) 10.660 17.638 ( -3.320 -3.998 -1.087) 5.310 18.179 ( -1.342 8.070 -2.741) 8.627 18.293 ( 8.264 4.138 10.700) 14.139 19.488 ( -9.343 -12.242 8.755) 17.715 ======================= Grid point 26 (19/116) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -18.950 14.109 4.468) 24.045 2.417 ( -5.102 -2.340 -8.528) 10.209 2.963 ( -9.704 0.015 7.544) 12.292 3.014 ( -8.856 6.236 3.176) 11.288 3.680 ( 2.718 -2.555 -1.337) 3.963 3.765 ( 2.462 -4.136 -4.337) 6.479 5.278 ( 1.691 -2.837 -5.257) 6.209 6.296 ( -7.647 11.901 3.345) 14.536 6.719 ( 10.972 -10.130 7.529) 16.724 7.594 ( -7.146 -2.636 -4.152) 8.675 8.013 ( 4.264 -4.149 -11.292) 12.763 8.462 ( 8.781 -12.448 -10.018) 18.232 8.548 ( -14.852 9.055 2.442) 17.565 9.002 ( 0.810 -10.418 5.275) 11.706 9.588 ( 10.113 4.257 -0.461) 10.982 9.794 ( 7.164 -5.154 6.437) 10.924 10.560 ( 4.470 7.603 -8.606) 12.323 10.857 ( -5.437 -0.157 -1.505) 5.644 11.119 ( 3.280 1.303 0.866) 3.635 11.702 ( -5.679 -1.719 3.403) 6.840 11.952 ( 1.150 0.112 -3.580) 3.762 12.167 ( -2.698 -3.466 -0.716) 4.450 12.292 ( 0.323 2.387 -10.453) 10.727 12.482 ( -2.555 1.138 -12.773) 13.076 13.065 ( 9.330 -7.300 -1.648) 11.961 13.352 ( 6.831 2.064 -4.766) 8.581 13.726 ( 1.485 3.265 26.453) 26.695 14.422 ( -0.633 -2.544 36.751) 36.845 14.544 ( -5.063 9.519 1.617) 10.902 14.642 ( -3.479 7.846 2.134) 8.844 14.956 ( 0.556 3.936 -8.883) 9.732 15.195 ( 7.344 4.873 1.579) 8.954 15.409 ( 10.190 11.764 -7.939) 17.471 16.070 ( 0.806 -7.143 -8.338) 11.009 16.148 ( -0.510 -4.587 -9.971) 10.988 16.301 ( -0.585 -6.121 5.327) 8.135 16.827 ( -7.009 -2.141 2.128) 7.631 17.152 ( -1.816 7.221 -9.041) 11.712 17.538 ( -3.960 -3.361 -3.067) 6.032 18.175 ( -2.553 8.805 -3.047) 9.661 18.457 ( 1.642 -3.568 3.368) 5.174 19.475 ( -7.857 -6.197 14.284) 17.440 ======================= Grid point 27 (20/116) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -25.042 5.956 -6.280) 26.495 2.219 ( -14.166 3.050 -3.366) 14.877 2.859 ( -12.891 -0.317 1.170) 12.948 3.050 ( -4.611 5.973 5.387) 9.271 3.561 ( -6.987 -8.332 -10.916) 15.407 3.678 ( -2.179 -3.642 -1.585) 4.530 5.302 ( 9.739 0.600 -1.483) 9.870 6.140 ( -25.481 2.326 -3.246) 25.792 6.856 ( 7.133 -11.001 7.966) 15.341 7.580 ( 8.478 1.677 -0.089) 8.642 7.905 ( 5.859 3.059 -11.758) 13.489 8.343 ( 3.669 -5.636 -7.199) 9.851 8.499 ( -4.460 6.268 0.031) 7.693 9.014 ( 3.356 -10.372 3.676) 11.505 9.777 ( 9.710 6.711 4.196) 12.528 9.954 ( 9.382 -6.409 7.736) 13.746 10.535 ( 4.970 3.702 -8.667) 10.655 10.820 ( 1.151 -0.443 -0.415) 1.301 11.210 ( 1.520 5.236 4.203) 6.884 11.637 ( -6.437 1.080 -0.682) 6.562 11.888 ( -2.476 -2.832 -4.425) 5.808 12.048 ( -2.826 -1.189 -18.087) 18.345 12.120 ( -6.876 -0.249 4.277) 8.102 12.436 ( 4.526 -0.667 -0.470) 4.599 13.062 ( 6.292 -6.353 -7.123) 11.431 13.450 ( 7.270 2.649 4.527) 8.965 14.169 ( 2.788 3.946 29.505) 29.898 14.457 ( -4.988 2.359 -2.136) 5.916 14.689 ( -2.535 9.565 1.292) 9.979 14.834 ( 0.389 0.488 0.352) 0.716 15.008 ( -0.777 -0.160 27.990) 28.001 15.384 ( 7.656 5.567 6.786) 11.647 15.479 ( 10.391 7.703 -9.348) 15.959 15.897 ( 3.510 -5.314 -13.046) 14.517 15.986 ( 0.659 -2.271 -8.976) 9.282 16.318 ( -4.653 -2.380 5.489) 7.579 16.732 ( -6.633 -4.584 -0.777) 8.100 17.001 ( -1.034 3.803 -15.497) 15.991 17.432 ( -3.902 -2.652 -1.852) 5.068 18.142 ( -5.885 8.467 -3.857) 11.009 18.396 ( -5.662 -9.398 -0.176) 10.973 19.589 ( -4.062 -0.741 14.378) 14.959 ======================= Grid point 28 (21/116) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -27.410 -0.220 -9.596) 29.042 2.016 ( -25.655 8.161 2.162) 27.008 2.738 ( -9.670 1.228 0.737) 9.776 3.084 ( -12.688 -3.872 -4.002) 13.856 3.143 ( -15.047 -3.329 -6.319) 16.656 3.606 ( -2.140 -3.392 -1.655) 4.338 5.433 ( 11.615 0.942 -0.751) 11.678 5.736 ( -30.382 -0.908 -3.544) 30.602 6.959 ( 5.671 -7.059 4.836) 10.266 7.746 ( 14.109 -2.539 3.741) 14.815 7.879 ( 7.468 7.725 -9.758) 14.514 8.276 ( -5.120 1.531 -0.603) 5.378 8.548 ( 11.225 2.588 -2.020) 11.695 9.063 ( 6.902 -6.476 3.380) 10.049 9.991 ( 4.351 4.955 6.846) 9.505 10.121 ( 11.518 -3.923 3.707) 12.720 10.507 ( 5.933 0.778 -6.427) 8.781 10.846 ( 5.385 -1.444 -0.872) 5.643 11.328 ( -2.363 6.638 7.228) 10.094 11.578 ( -6.129 4.619 0.516) 7.692 11.739 ( -4.944 -1.939 -7.408) 9.115 11.766 ( -4.725 -6.399 -11.862) 14.282 12.101 ( -7.376 -0.034 4.227) 8.502 12.513 ( 9.279 -1.304 0.061) 9.370 12.965 ( 2.258 -3.535 -7.524) 8.614 13.634 ( 7.053 1.454 5.947) 9.340 14.346 ( -6.342 -0.289 -2.030) 6.665 14.630 ( 2.209 2.950 21.723) 22.033 14.739 ( 2.887 5.807 -2.859) 7.087 14.838 ( -2.463 2.968 8.981) 9.774 15.312 ( -1.849 -3.826 13.477) 14.131 15.475 ( 7.389 2.417 -8.494) 11.515 15.546 ( 6.978 4.137 -5.491) 9.796 15.755 ( 4.697 -2.126 -12.149) 13.198 16.027 ( 5.668 0.157 15.749) 16.738 16.309 ( -6.501 1.691 3.646) 7.643 16.585 ( -7.824 -5.694 -2.715) 10.050 16.775 ( 2.091 1.905 -20.360) 20.556 17.375 ( -1.892 -1.566 0.787) 2.579 18.029 ( -11.040 3.601 -4.045) 12.297 18.243 ( -9.379 -6.084 -0.307) 11.184 19.719 ( -2.001 0.575 8.829) 9.071 ======================= Grid point 29 (22/116) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -28.808 0.000 0.000) 28.808 1.745 ( -31.087 0.000 0.000) 31.087 2.504 ( -41.686 0.000 0.000) 41.686 2.697 ( -3.974 0.000 0.000) 3.974 3.130 ( -1.896 0.000 0.000) 1.896 3.553 ( -2.088 0.000 0.000) 2.088 5.285 ( -29.377 0.000 0.000) 29.377 5.641 ( 13.519 -0.000 -0.000) 13.519 7.027 ( 4.675 -0.000 -0.000) 4.675 7.840 ( -6.475 0.000 0.000) 6.475 7.993 ( 20.266 -0.000 -0.000) 20.266 8.230 ( -0.669 0.000 0.000) 0.669 8.741 ( 20.324 -0.000 -0.000) 20.324 9.163 ( 7.604 -0.000 -0.000) 7.604 10.047 ( -6.350 0.000 0.000) 6.350 10.300 ( 15.005 -0.000 -0.000) 15.005 10.543 ( 8.593 -0.000 -0.000) 8.593 10.898 ( 5.194 -0.000 -0.000) 5.194 11.377 ( -8.474 0.000 0.000) 8.474 11.493 ( -11.432 0.000 0.000) 11.432 11.568 ( -10.442 0.000 0.000) 10.442 11.673 ( 10.337 -0.000 -0.000) 10.337 12.041 ( -7.705 0.000 0.000) 7.705 12.630 ( 11.441 -0.000 -0.000) 11.441 12.911 ( 0.943 -0.000 -0.000) 0.943 13.757 ( 4.781 -0.000 -0.000) 4.781 14.234 ( -9.082 0.000 0.000) 9.082 14.753 ( 0.350 -0.000 -0.000) 0.350 14.770 ( 3.904 -0.000 -0.000) 3.904 15.121 ( -0.703 0.000 0.000) 0.703 15.177 ( 1.241 -0.000 -0.000) 1.241 15.545 ( 4.091 -0.000 -0.000) 4.091 15.613 ( 4.599 -0.000 -0.000) 4.599 15.675 ( 6.685 -0.000 -0.000) 6.685 16.198 ( -6.183 0.000 0.000) 6.183 16.346 ( -8.377 0.000 0.000) 8.377 16.508 ( 7.787 -0.000 -0.000) 7.787 16.584 ( 4.198 -0.000 -0.000) 4.198 17.372 ( 0.120 -0.000 -0.000) 0.120 17.850 ( -14.075 0.000 0.000) 14.075 18.090 ( -12.410 0.000 0.000) 12.410 19.769 ( -0.743 0.000 0.000) 0.743 ======================= Grid point 34 (23/116) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 0.000 11.690 10.776) 15.899 2.676 ( 0.000 0.516 -4.135) 4.167 2.863 ( 0.000 10.339 15.368) 18.523 3.246 ( 0.000 4.431 -0.902) 4.522 3.472 ( 0.000 5.277 3.994) 6.618 3.678 ( -0.000 -4.421 7.326) 8.557 5.614 ( -0.000 -12.642 -18.252) 22.202 6.048 ( 0.000 22.482 13.665) 26.309 6.350 ( -0.000 -8.491 7.611) 11.403 7.955 ( -0.000 -11.161 1.784) 11.303 8.144 ( -0.000 -11.854 -11.800) 16.726 8.539 ( -0.000 -10.313 -8.916) 13.632 8.728 ( 0.000 16.146 13.211) 20.862 8.970 ( -0.000 -6.832 3.661) 7.751 9.439 ( -0.000 -18.953 -8.810) 20.900 9.634 ( 0.000 9.690 -0.710) 9.716 10.555 ( 0.000 6.914 -10.290) 12.397 11.005 ( 0.000 10.045 1.991) 10.241 11.153 ( -0.000 -15.618 -11.189) 19.212 11.733 ( -0.000 1.294 10.471) 10.550 11.994 ( -0.000 -3.231 -0.298) 3.245 12.082 ( -0.000 -2.795 1.213) 3.047 12.440 ( 0.000 4.642 -4.173) 6.242 12.767 ( 0.000 5.959 -16.827) 17.851 12.975 ( 0.000 -4.562 -13.835) 14.568 13.272 ( 0.000 -1.376 -11.644) 11.725 13.394 ( -0.000 -0.460 16.074) 16.081 13.870 ( -0.000 -2.708 41.062) 41.151 14.595 ( 0.000 10.900 6.389) 12.635 14.730 ( 0.000 12.337 -3.980) 12.963 15.026 ( 0.000 7.018 -11.625) 13.579 15.072 ( 0.000 4.161 -7.898) 8.928 15.156 ( 0.000 12.743 -8.054) 15.075 16.173 ( -0.000 -6.684 8.663) 10.941 16.242 ( -0.000 -10.721 -6.931) 12.766 16.345 ( -0.000 -9.263 -3.362) 9.854 16.960 ( 0.000 7.256 6.661) 9.850 17.194 ( 0.000 5.987 -7.427) 9.540 17.702 ( -0.000 -4.606 -0.198) 4.610 18.163 ( -0.000 3.941 11.889) 12.525 18.204 ( 0.000 11.789 0.273) 11.792 19.608 ( -0.000 -14.197 8.221) 16.406 ======================= Grid point 35 (24/116) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -1.209 4.079 0.123) 4.256 2.623 ( -8.778 7.599 1.172) 11.670 3.099 ( -1.255 5.555 10.971) 12.361 3.218 ( -6.421 4.531 0.248) 7.863 3.591 ( 4.505 2.723 2.785) 5.955 3.705 ( 0.268 -5.671 1.020) 5.769 5.289 ( -1.309 -9.520 -13.964) 16.951 6.359 ( -0.697 19.070 9.267) 21.214 6.483 ( 7.219 -2.607 10.623) 13.106 7.849 ( -8.608 -8.593 -2.265) 12.372 7.934 ( 2.175 -8.110 -9.217) 12.468 8.312 ( 2.521 -11.991 -13.607) 18.310 8.853 ( -9.195 -3.108 3.037) 10.170 8.995 ( -0.275 -7.920 8.680) 11.754 9.317 ( 10.494 -0.359 -5.779) 11.985 9.695 ( 1.565 5.392 0.860) 5.680 10.479 ( 2.033 7.208 -9.384) 12.006 10.904 ( 0.889 -14.146 -9.190) 16.892 11.104 ( -1.362 9.808 3.435) 10.481 11.799 ( -1.625 -2.107 0.168) 2.666 11.913 ( -0.416 -3.384 -3.607) 4.964 12.108 ( 3.384 -1.560 1.221) 3.921 12.437 ( -6.087 7.702 -0.797) 9.849 12.577 ( -4.392 1.547 -9.993) 11.025 12.843 ( 8.054 -5.800 -6.632) 11.937 13.183 ( 5.253 0.586 -5.807) 7.853 13.705 ( 0.398 3.713 25.896) 26.164 14.411 ( 0.579 -3.128 38.326) 38.457 14.693 ( -5.313 7.766 -3.815) 10.154 14.712 ( -2.130 10.802 0.521) 11.022 14.974 ( -0.949 6.292 -3.351) 7.191 15.045 ( 3.526 6.115 -2.515) 7.493 15.179 ( 7.775 13.142 -8.721) 17.584 16.052 ( 0.523 -8.781 -10.825) 13.948 16.192 ( -2.493 -7.668 -5.466) 9.741 16.270 ( 2.366 -7.139 6.844) 10.169 17.002 ( -6.783 3.120 -1.679) 7.652 17.125 ( 3.346 4.545 -9.046) 10.662 17.645 ( -3.325 -3.169 -0.909) 4.682 18.207 ( -0.215 7.531 -1.983) 7.791 18.395 ( 1.931 3.701 7.541) 8.619 19.635 ( -4.102 -10.548 12.324) 16.733 ======================= Grid point 36 (25/116) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -3.011 -1.527 -7.125) 7.884 2.577 ( -17.212 10.916 3.582) 20.693 3.181 ( -6.456 4.283 1.588) 7.908 3.194 ( -9.075 1.255 7.700) 11.967 3.606 ( -1.947 -4.786 -3.612) 6.305 3.691 ( 2.125 -0.238 -0.151) 2.143 5.119 ( 5.786 -4.839 -7.123) 10.374 6.532 ( -6.679 13.468 5.370) 15.963 6.712 ( 5.165 -2.930 11.702) 13.123 7.608 ( -9.889 -4.586 -5.600) 12.255 7.811 ( 1.631 -2.190 -8.556) 8.981 8.096 ( 8.527 -11.740 -14.485) 20.502 8.740 ( -6.014 -6.201 2.430) 8.973 8.994 ( -3.528 -7.874 3.279) 9.231 9.469 ( 14.710 7.359 -0.913) 16.473 9.780 ( 5.006 0.151 3.440) 6.075 10.440 ( 3.044 6.294 -7.753) 10.440 10.747 ( 4.476 -10.886 -5.768) 13.108 11.211 ( -1.571 9.783 5.174) 11.178 11.717 ( -0.082 -4.185 -5.383) 6.819 11.874 ( 1.671 -2.971 -1.025) 3.560 12.120 ( -4.223 2.037 -1.531) 4.933 12.306 ( -7.935 2.382 -5.901) 10.172 12.489 ( -5.839 1.646 2.215) 6.458 12.860 ( 9.718 -5.820 -3.548) 11.870 13.238 ( 9.506 1.845 -0.272) 9.687 14.128 ( 0.808 5.267 29.274) 29.755 14.582 ( -5.488 3.198 -3.509) 7.257 14.672 ( 1.751 6.020 -4.092) 7.487 14.920 ( -5.445 4.461 10.631) 12.750 15.019 ( 0.189 1.361 18.607) 18.658 15.189 ( 8.050 6.066 8.404) 13.123 15.253 ( 7.849 9.375 -5.580) 13.440 15.835 ( 1.885 -7.387 -14.821) 16.667 16.012 ( -2.397 -4.876 -8.330) 9.946 16.351 ( 1.274 -4.800 6.770) 8.397 16.841 ( -2.084 2.238 -15.059) 15.366 17.052 ( -3.404 -0.174 -4.850) 5.928 17.561 ( -5.637 -1.801 -0.938) 5.991 18.234 ( -1.576 9.616 -1.455) 9.852 18.459 ( -0.805 -4.853 1.629) 5.182 19.709 ( -4.890 -4.489 13.298) 14.863 ======================= Grid point 37 (26/116) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -14.245 -1.571 -6.113) 15.581 2.461 ( -17.034 6.760 1.383) 18.379 3.092 ( -16.576 2.082 3.251) 17.019 3.202 ( -5.587 2.885 4.321) 7.629 3.456 ( -4.827 -5.337 -7.549) 10.429 3.676 ( -2.929 -1.666 -0.445) 3.399 5.147 ( 11.421 -1.207 -2.026) 11.662 6.446 ( -24.781 4.848 -0.315) 25.252 6.865 ( 1.706 -5.230 8.763) 10.347 7.514 ( 3.643 0.039 0.914) 3.756 7.710 ( 4.565 1.482 -10.557) 11.596 8.002 ( 14.816 -6.404 -8.554) 18.267 8.717 ( -7.811 6.520 3.723) 10.834 8.922 ( 1.238 -12.099 0.104) 12.163 9.699 ( 16.085 5.929 0.484) 17.149 9.908 ( 8.156 -2.426 4.289) 9.529 10.422 ( 2.180 3.572 -4.447) 6.107 10.695 ( 7.164 -6.058 -3.580) 10.042 11.343 ( -0.251 9.390 5.943) 11.115 11.617 ( 0.636 -6.230 -4.380) 7.642 11.848 ( -1.487 -2.201 -1.448) 3.025 11.969 ( -11.372 3.270 -6.474) 13.488 12.224 ( -3.173 -0.540 1.082) 3.395 12.476 ( -5.802 1.005 4.023) 7.132 12.857 ( 6.899 -3.667 -5.756) 9.704 13.405 ( 11.649 1.165 3.165) 12.128 14.463 ( -3.880 2.152 0.932) 4.534 14.600 ( -0.154 4.154 23.722) 24.083 14.667 ( 2.674 2.982 -4.035) 5.685 14.940 ( -5.309 4.708 3.419) 7.877 15.221 ( 9.133 1.200 -2.678) 9.593 15.326 ( 5.014 3.479 1.674) 6.328 15.488 ( -1.927 -0.778 5.360) 5.749 15.640 ( 4.502 -4.144 -5.234) 8.052 15.928 ( 2.174 -0.454 7.252) 7.584 16.408 ( -0.841 -1.859 4.032) 4.519 16.589 ( 3.038 1.420 -23.967) 24.201 16.918 ( -9.204 -2.207 -2.100) 9.695 17.470 ( -5.846 -0.946 -0.486) 5.942 18.243 ( -6.036 10.095 -1.630) 11.874 18.385 ( -3.392 -9.497 0.151) 10.086 19.795 ( -3.979 -0.769 8.487) 9.405 ======================= Grid point 38 (27/116) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -25.454 0.000 0.000) 25.454 2.307 ( -16.173 0.000 0.000) 16.173 2.928 ( -16.418 0.000 0.000) 16.418 3.199 ( -3.965 0.000 0.000) 3.965 3.226 ( -17.300 0.000 0.000) 17.300 3.618 ( -3.889 0.000 0.000) 3.889 5.281 ( 12.944 -0.000 -0.000) 12.944 6.095 ( -32.719 0.000 0.000) 32.719 6.925 ( 2.594 -0.000 -0.000) 2.594 7.648 ( 8.507 -0.000 -0.000) 8.507 7.694 ( 10.924 -0.000 -0.000) 10.924 8.128 ( 17.822 -0.000 -0.000) 17.822 8.634 ( -13.933 0.000 0.000) 13.933 8.951 ( 9.578 -0.000 -0.000) 9.578 9.925 ( 16.661 -0.000 -0.000) 16.661 10.027 ( 7.067 -0.000 -0.000) 7.067 10.421 ( 1.761 -0.000 -0.000) 1.761 10.741 ( 7.933 -0.000 -0.000) 7.933 11.495 ( 4.580 -0.000 -0.000) 4.580 11.509 ( -2.625 0.000 0.000) 2.625 11.774 ( -6.305 0.000 0.000) 6.305 11.785 ( -12.836 0.000 0.000) 12.836 12.200 ( -3.845 0.000 0.000) 3.845 12.465 ( -0.484 0.000 0.000) 0.484 12.861 ( 4.108 -0.000 -0.000) 4.108 13.572 ( 10.701 -0.000 -0.000) 10.701 14.401 ( -5.410 0.000 0.000) 5.410 14.680 ( 3.117 -0.000 -0.000) 3.117 14.801 ( -3.585 0.000 0.000) 3.585 15.098 ( 2.469 -0.000 -0.000) 2.469 15.114 ( 3.161 -0.000 -0.000) 3.161 15.435 ( 6.478 -0.000 -0.000) 6.478 15.487 ( 5.993 -0.000 -0.000) 5.993 15.592 ( -1.882 0.000 0.000) 1.882 16.255 ( 3.458 -0.000 -0.000) 3.458 16.308 ( 5.653 -0.000 -0.000) 5.653 16.418 ( -0.792 0.000 0.000) 0.792 16.761 ( -12.290 0.000 0.000) 12.290 17.407 ( -3.654 0.000 0.000) 3.654 18.157 ( -11.351 0.000 0.000) 11.351 18.302 ( -5.032 0.000 0.000) 5.032 19.813 ( -2.973 0.000 0.000) 2.973 ======================= Grid point 45 (28/116) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 0.000 -0.669 -5.953) 5.991 2.805 ( 0.000 8.863 5.143) 10.248 3.262 ( 0.000 4.506 6.695) 8.070 3.270 ( 0.000 2.207 -0.664) 2.305 3.632 ( 0.000 3.219 3.000) 4.401 3.686 ( -0.000 -5.631 0.758) 5.681 5.043 ( -0.000 -7.909 -11.826) 14.227 6.597 ( -0.000 0.667 14.327) 14.342 6.625 ( 0.000 18.566 6.830) 19.782 7.727 ( -0.000 -6.731 -8.607) 10.927 7.865 ( -0.000 -4.811 -1.301) 4.984 7.996 ( -0.000 -11.729 -16.715) 20.420 8.787 ( -0.000 -25.460 3.874) 25.753 9.129 ( 0.000 4.049 -9.523) 10.348 9.193 ( 0.000 7.074 7.470) 10.288 9.721 ( 0.000 4.428 -0.440) 4.450 10.400 ( 0.000 7.224 -7.183) 10.187 10.680 ( -0.000 -13.827 -6.647) 15.342 11.240 ( 0.000 10.324 4.205) 11.147 11.706 ( -0.000 -5.351 -6.557) 8.463 11.853 ( -0.000 -2.254 -1.576) 2.750 12.183 ( -0.000 1.908 6.791) 7.054 12.474 ( 0.000 5.035 -8.855) 10.187 12.533 ( 0.000 -0.070 -3.285) 3.285 12.720 ( -0.000 -4.038 4.201) 5.827 13.092 ( 0.000 0.889 -3.286) 3.404 14.120 ( -0.000 5.885 29.211) 29.798 14.634 ( 0.000 1.953 -0.848) 2.129 14.692 ( 0.000 5.847 -6.544) 8.776 14.957 ( 0.000 2.933 7.373) 7.935 15.072 ( -0.000 5.253 21.127) 21.770 15.078 ( 0.000 7.794 0.536) 7.813 15.118 ( 0.000 8.317 2.812) 8.780 15.811 ( -0.000 -8.313 -15.008) 17.156 16.053 ( -0.000 -6.113 -8.439) 10.420 16.320 ( -0.000 -4.788 6.856) 8.362 16.856 ( 0.000 2.353 -21.575) 21.703 17.108 ( 0.000 0.996 0.521) 1.124 17.638 ( -0.000 -2.235 -0.304) 2.255 18.241 ( 0.000 7.235 -0.496) 7.252 18.468 ( -0.000 -0.124 2.289) 2.293 19.774 ( -0.000 -6.173 12.378) 13.832 ======================= Grid point 46 (29/116) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -1.532 -0.771 -4.266) 4.598 2.845 ( -10.647 5.343 2.505) 12.173 3.259 ( -2.292 1.411 -0.009) 2.692 3.350 ( -0.840 1.757 3.907) 4.365 3.606 ( -8.029 -3.353 -1.131) 8.774 3.690 ( 0.827 1.240 1.174) 1.898 4.916 ( 6.614 -3.755 -5.528) 9.402 6.770 ( -4.594 11.684 5.064) 13.538 6.840 ( 1.553 1.353 13.042) 13.204 7.574 ( -3.477 -4.165 -6.283) 8.301 7.661 ( 1.892 -6.463 -14.782) 16.244 7.829 ( -2.851 -3.547 -2.663) 5.272 8.710 ( 1.979 -15.209 4.680) 16.035 9.025 ( -2.341 3.101 -5.428) 6.675 9.356 ( 9.075 4.020 1.583) 10.051 9.758 ( 3.622 1.304 0.319) 3.862 10.382 ( 1.100 6.543 -3.622) 7.559 10.551 ( 3.697 -9.969 -3.387) 11.159 11.357 ( -0.588 9.210 3.653) 9.926 11.595 ( 0.681 -6.285 -4.226) 7.604 11.846 ( 0.595 -1.172 0.870) 1.576 12.224 ( -7.312 2.836 0.825) 7.886 12.309 ( -5.255 -0.855 -4.927) 7.254 12.571 ( 5.075 1.585 1.211) 5.453 12.741 ( -3.180 -2.550 0.971) 4.190 13.131 ( 9.567 0.852 -0.050) 9.605 14.519 ( -0.779 5.329 13.964) 14.967 14.620 ( 0.953 1.347 -1.787) 2.432 14.659 ( -3.719 3.675 9.509) 10.852 14.996 ( 5.927 3.513 -3.903) 7.919 15.085 ( -4.563 4.857 1.241) 6.779 15.210 ( 4.911 4.976 0.872) 7.045 15.521 ( 0.238 -6.279 -14.026) 15.369 15.577 ( 0.347 -1.746 29.344) 29.398 15.917 ( -0.540 -2.580 -3.827) 4.647 16.371 ( 2.133 -1.512 0.512) 2.664 16.545 ( 0.793 0.554 -24.205) 24.224 17.084 ( -3.935 -0.527 -0.383) 3.988 17.601 ( -3.806 -1.068 -0.189) 3.957 18.292 ( 0.449 7.040 0.219) 7.058 18.453 ( -2.038 -4.319 -0.202) 4.780 19.875 ( -2.062 -2.183 7.752) 8.314 ======================= Grid point 47 (30/116) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -5.670 0.000 0.000) 5.670 2.705 ( -17.650 0.000 0.000) 17.650 3.231 ( -4.246 0.000 0.000) 4.246 3.388 ( -0.523 0.000 0.000) 0.523 3.422 ( -15.742 0.000 0.000) 15.742 3.698 ( -1.273 0.000 0.000) 1.273 4.984 ( 11.568 -0.000 -0.000) 11.568 6.726 ( -16.140 0.000 0.000) 16.140 6.940 ( -3.102 0.000 0.000) 3.102 7.507 ( 4.043 -0.000 -0.000) 4.043 7.550 ( 1.084 -0.000 -0.000) 1.084 7.790 ( 5.324 -0.000 -0.000) 5.324 8.750 ( 6.397 -0.000 -0.000) 6.397 8.939 ( -8.438 0.000 0.000) 8.438 9.525 ( 15.421 -0.000 -0.000) 15.421 9.834 ( 7.287 -0.000 -0.000) 7.287 10.396 ( 0.828 -0.000 -0.000) 0.828 10.552 ( 6.933 -0.000 -0.000) 6.933 11.437 ( 0.875 -0.000 -0.000) 0.875 11.530 ( 0.073 -0.000 -0.000) 0.073 11.850 ( -0.638 0.000 0.000) 0.638 12.089 ( -12.501 0.000 0.000) 12.501 12.253 ( -2.194 0.000 0.000) 2.194 12.623 ( -9.717 0.000 0.000) 9.717 12.701 ( 9.046 -0.000 -0.000) 9.046 13.280 ( 12.905 -0.000 -0.000) 12.905 14.515 ( -4.440 0.000 0.000) 4.440 14.623 ( 1.684 -0.000 -0.000) 1.684 14.888 ( -2.553 0.000 0.000) 2.553 15.012 ( 4.554 -0.000 -0.000) 4.554 15.076 ( -1.167 0.000 0.000) 1.167 15.304 ( 3.572 -0.000 -0.000) 3.572 15.334 ( 6.735 -0.000 -0.000) 6.735 15.717 ( -7.420 0.000 0.000) 7.420 16.119 ( 6.872 -0.000 -0.000) 6.872 16.200 ( 3.150 -0.000 -0.000) 3.150 16.430 ( 0.474 -0.000 -0.000) 0.474 17.009 ( -7.688 0.000 0.000) 7.688 17.535 ( -6.012 0.000 0.000) 6.012 18.341 ( 0.924 -0.000 -0.000) 0.924 18.371 ( -6.358 0.000 0.000) 6.358 19.893 ( -3.096 0.000 0.000) 3.096 ======================= Grid point 57 (31/116) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.000 -0.000 -0.000) 0.000 2.948 ( 0.000 -0.000 -0.000) 0.000 3.274 ( 0.000 -0.000 -0.000) 0.000 3.379 ( 0.000 -0.000 -0.000) 0.000 3.650 ( 0.000 -0.000 -0.000) 0.000 3.701 ( 0.000 -0.000 -0.000) 0.000 4.816 ( 0.000 -0.000 -0.000) 0.000 6.864 ( 0.000 -0.000 -0.000) 0.000 6.993 ( 0.000 -0.000 -0.000) 0.000 7.438 ( 0.000 -0.000 -0.000) 0.000 7.544 ( 0.000 -0.000 -0.000) 0.000 7.852 ( 0.000 -0.000 -0.000) 0.000 8.673 ( 0.000 -0.000 -0.000) 0.000 8.985 ( 0.000 -0.000 -0.000) 0.000 9.340 ( 0.000 -0.000 -0.000) 0.000 9.739 ( 0.000 -0.000 -0.000) 0.000 10.385 ( 0.000 -0.000 -0.000) 0.000 10.462 ( 0.000 -0.000 -0.000) 0.000 11.430 ( 0.000 -0.000 -0.000) 0.000 11.527 ( 0.000 -0.000 -0.000) 0.000 11.850 ( 0.000 -0.000 -0.000) 0.000 12.287 ( 0.000 -0.000 -0.000) 0.000 12.311 ( 0.000 -0.000 -0.000) 0.000 12.515 ( 0.000 -0.000 -0.000) 0.000 12.806 ( 0.000 -0.000 -0.000) 0.000 13.057 ( -0.000 0.000 0.000) 0.000 14.583 ( 0.000 -0.000 -0.000) 0.000 14.602 ( 0.000 -0.000 -0.000) 0.000 14.909 ( 0.000 -0.000 -0.000) 0.000 14.936 ( 0.000 -0.000 -0.000) 0.000 15.168 ( 0.000 -0.000 -0.000) 0.000 15.185 ( 0.000 -0.000 -0.000) 0.000 15.266 ( 0.000 -0.000 -0.000) 0.000 15.871 ( 0.000 -0.000 -0.000) 0.000 15.976 ( 0.000 -0.000 -0.000) 0.000 16.163 ( 0.000 -0.000 -0.000) 0.000 16.419 ( 0.000 -0.000 -0.000) 0.000 17.103 ( 0.000 -0.000 -0.000) 0.000 17.621 ( 0.000 -0.000 -0.000) 0.000 18.317 ( 0.000 -0.000 -0.000) 0.000 18.448 ( 0.000 -0.000 -0.000) 0.000 19.933 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 114 (32/116) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.000 0.000 29.814) 29.814 1.320 ( 0.000 0.000 29.814) 29.814 2.350 ( -0.000 0.000 40.093) 40.093 3.121 ( -0.000 0.000 0.707) 0.707 3.121 ( 0.000 -0.000 0.707) 0.707 3.155 ( -0.000 0.000 5.782) 5.782 4.819 ( -0.000 0.000 16.669) 16.669 6.860 ( -0.000 -0.000 -12.878) 12.878 6.860 ( 0.000 -0.000 -12.878) 12.878 6.948 ( -0.000 0.000 23.381) 23.381 8.596 ( -0.000 -0.000 5.153) 5.153 8.596 ( 0.000 0.000 5.153) 5.153 9.097 ( 0.000 0.000 -13.210) 13.210 9.097 ( 0.000 0.000 -13.210) 13.210 9.224 ( -0.000 0.000 3.609) 3.609 10.642 ( -0.000 -0.000 -6.617) 6.617 10.642 ( 0.000 -0.000 -6.617) 6.617 10.766 ( 0.000 -0.000 -11.054) 11.054 11.366 ( -0.000 0.000 10.282) 10.282 11.366 ( 0.000 0.000 10.282) 10.282 11.524 ( -0.000 0.000 13.796) 13.796 11.908 ( -0.000 0.000 4.058) 4.058 12.552 ( -0.000 0.000 21.625) 21.625 13.001 ( 0.000 -0.000 -4.544) 4.544 13.001 ( 0.000 -0.000 -4.544) 4.544 13.605 ( 0.000 -0.000 -11.741) 11.741 13.942 ( -0.000 0.000 7.133) 7.133 14.111 ( 0.000 -0.000 -28.438) 28.438 14.111 ( 0.000 -0.000 -28.438) 28.438 14.888 ( -0.000 -0.000 -6.805) 6.805 14.888 ( 0.000 -0.000 -6.805) 6.805 15.578 ( 0.000 -0.000 -16.398) 16.398 15.578 ( 0.000 -0.000 -16.398) 16.398 16.051 ( -0.000 0.000 8.767) 8.767 16.051 ( 0.000 0.000 8.767) 8.767 16.438 ( -0.000 0.000 18.549) 18.549 16.830 ( -0.000 0.000 2.327) 2.327 16.830 ( 0.000 0.000 2.327) 2.327 17.495 ( 0.000 -0.000 -1.532) 1.532 17.775 ( 0.000 -0.000 9.783) 9.783 17.775 ( 0.000 0.000 9.783) 9.783 19.803 ( -0.000 0.000 3.595) 3.595 ======================= Grid point 115 (33/116) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -7.818 -4.514 26.379) 27.881 1.912 ( 12.040 6.951 26.037) 29.516 2.755 ( 2.233 1.289 11.112) 11.408 3.049 ( -5.511 -3.182 0.015) 6.363 3.219 ( 4.957 2.862 12.840) 14.058 3.357 ( 7.870 4.544 8.154) 12.210 5.128 ( 7.965 4.599 18.141) 20.340 6.367 ( -23.349 -13.481 -10.089) 28.787 6.812 ( 7.999 4.618 -13.146) 16.067 7.442 ( 11.772 6.797 23.329) 27.000 8.489 ( -12.428 -7.175 0.878) 14.378 8.768 ( 0.387 0.223 3.483) 3.511 8.795 ( -4.579 -2.644 -9.591) 10.952 8.956 ( 1.947 1.124 -11.013) 11.240 9.354 ( 7.074 4.084 0.838) 8.211 10.407 ( -8.657 -4.998 -6.676) 12.021 10.545 ( -2.114 -1.220 -9.446) 9.756 10.762 ( 10.096 5.829 -7.236) 13.721 11.409 ( -7.770 -4.486 10.872) 14.096 11.584 ( 2.909 1.680 10.854) 11.362 11.767 ( 4.473 2.582 15.637) 16.467 11.900 ( -2.994 -1.729 -2.098) 4.044 12.776 ( -5.814 -3.356 -12.124) 13.859 12.857 ( -2.898 -1.673 25.800) 26.016 13.081 ( 11.356 6.557 -3.705) 13.626 13.435 ( -3.680 -2.125 -7.543) 8.657 13.673 ( -2.690 -1.553 -25.695) 25.882 13.782 ( 2.747 1.586 -27.552) 27.734 14.106 ( 5.984 3.455 7.693) 10.340 14.657 ( -7.192 -4.153 -8.239) 11.698 14.947 ( 10.988 6.344 -5.964) 14.020 15.342 ( -1.120 -0.647 -14.417) 14.475 15.373 ( 1.039 0.600 -15.600) 15.646 16.114 ( -2.515 -1.452 8.081) 8.587 16.286 ( 6.886 3.976 11.015) 13.585 16.610 ( -1.605 -0.927 7.453) 7.680 16.710 ( -9.660 -5.577 4.026) 11.859 16.976 ( 3.242 1.872 1.226) 3.940 17.581 ( 5.492 3.171 7.858) 10.097 17.813 ( -1.796 -1.037 6.129) 6.470 17.962 ( 4.905 2.832 4.166) 7.030 19.796 ( -7.423 -4.286 4.351) 9.612 ======================= Grid point 116 (34/116) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -5.193 -2.998 20.914) 21.757 2.373 ( 5.426 3.133 19.400) 20.386 2.813 ( 0.350 0.202 0.369) 0.548 2.954 ( -6.576 -3.797 0.395) 7.603 3.484 ( 11.099 6.408 2.930) 13.147 3.634 ( 6.393 3.691 13.298) 15.210 5.534 ( 12.226 7.059 16.534) 21.741 5.880 ( -19.380 -11.189 -10.645) 24.781 6.767 ( 7.756 4.478 -10.631) 13.901 7.916 ( 6.088 3.515 23.281) 24.319 8.235 ( -16.813 -9.707 -3.562) 19.738 8.518 ( -5.404 -3.120 -10.177) 11.938 8.860 ( 3.264 1.884 -9.660) 10.369 8.897 ( 0.536 0.309 6.038) 6.069 9.452 ( 4.867 2.810 -0.165) 5.623 10.195 ( -7.063 -4.078 -5.733) 9.969 10.413 ( 0.771 0.445 -7.620) 7.672 10.803 ( 6.349 3.666 -6.083) 9.526 11.372 ( -10.720 -6.189 4.152) 13.056 11.745 ( -0.485 -0.280 9.084) 9.101 11.827 ( -2.704 -1.561 1.325) 3.391 12.054 ( 5.180 2.991 13.578) 14.837 12.508 ( -1.574 -0.909 -16.989) 17.086 13.012 ( 10.975 6.336 -17.878) 21.914 13.309 ( -1.030 -0.594 -6.195) 6.308 13.352 ( -1.435 -0.828 26.783) 26.834 13.370 ( -2.674 -1.544 -9.437) 9.929 13.492 ( 2.578 1.488 -11.553) 11.930 14.288 ( 3.644 2.104 5.227) 6.710 14.495 ( -2.865 -1.654 -1.847) 3.788 15.054 ( 13.017 7.515 -6.820) 16.506 15.170 ( 1.399 0.807 -10.438) 10.562 15.193 ( 1.193 0.689 -12.595) 12.670 16.186 ( -1.872 -1.081 7.017) 7.343 16.471 ( -1.684 -0.972 3.354) 3.877 16.594 ( -1.560 -0.901 -5.105) 5.414 16.680 ( -1.118 -0.645 9.135) 9.226 17.003 ( -1.389 -0.802 1.813) 2.421 17.718 ( -2.526 -1.458 3.966) 4.923 17.986 ( 10.360 5.981 10.816) 16.127 18.050 ( 3.259 1.881 -0.408) 3.785 19.701 ( -12.683 -7.323 5.524) 15.653 ======================= Grid point 117 (35/116) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -6.644 -3.836 13.387) 15.429 2.544 ( -2.221 -1.282 1.667) 3.059 2.871 ( -5.901 -3.407 2.876) 7.396 2.874 ( -0.622 -0.359 8.237) 8.268 3.654 ( 7.093 4.095 0.870) 8.237 3.830 ( 4.635 2.676 1.562) 5.576 5.498 ( -11.610 -6.703 -7.853) 15.536 5.922 ( 10.474 6.047 11.790) 16.890 6.793 ( 9.263 5.348 -4.465) 11.590 7.885 ( -17.780 -10.266 -6.135) 21.428 8.180 ( -2.253 -1.301 6.550) 7.048 8.366 ( -1.645 -0.950 -2.431) 3.085 8.776 ( 4.582 2.646 -12.093) 13.199 8.975 ( -3.752 -2.166 9.907) 10.813 9.514 ( 5.364 3.097 -1.858) 6.467 10.057 ( -3.819 -2.205 -0.175) 4.413 10.370 ( 4.373 2.525 -4.458) 6.736 10.792 ( 2.027 1.170 -5.370) 5.858 11.234 ( -6.591 -3.805 -1.204) 7.705 11.789 ( -4.103 -2.369 2.023) 5.152 11.859 ( -2.747 -1.586 7.962) 8.570 12.249 ( -1.254 -0.724 4.004) 4.258 12.317 ( 7.442 4.297 -11.454) 14.319 12.755 ( 3.555 2.052 -30.481) 30.756 13.213 ( 3.390 1.957 -6.148) 7.288 13.365 ( 6.941 4.008 -10.443) 13.164 13.400 ( -1.249 -0.721 15.057) 15.126 13.895 ( -1.037 -0.598 41.681) 41.698 14.330 ( -1.333 -0.770 1.423) 2.096 14.522 ( 1.122 0.648 3.717) 3.937 15.030 ( 3.538 2.043 -13.227) 13.843 15.116 ( 5.494 3.172 -5.191) 8.197 15.203 ( 11.885 6.862 -3.922) 14.273 16.231 ( -1.931 -1.115 2.944) 3.693 16.370 ( -6.625 -3.825 -4.065) 8.663 16.462 ( -1.862 -1.075 -8.511) 8.778 16.843 ( 0.578 0.334 9.765) 9.788 16.991 ( -1.535 -0.886 -0.146) 1.779 17.673 ( -3.388 -1.956 -2.227) 4.502 18.065 ( 2.339 1.350 -3.327) 4.285 18.311 ( 9.474 5.470 10.413) 15.103 19.570 ( -14.997 -8.659 8.550) 19.313 ======================= Grid point 118 (36/116) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -12.591 -7.270 5.810) 15.657 2.426 ( -6.593 -3.807 -7.415) 10.628 2.866 ( -2.803 -1.618 6.468) 7.233 2.908 ( -8.730 -5.040 5.784) 11.622 3.724 ( 1.929 1.114 -1.064) 2.469 3.830 ( 0.540 0.312 -7.292) 7.319 5.324 ( -1.309 -0.756 -2.651) 3.051 6.119 ( -1.601 -0.924 4.122) 4.517 6.934 ( 9.167 5.293 1.813) 10.739 7.582 ( -7.402 -4.274 -4.562) 9.689 8.087 ( 0.647 0.374 -13.691) 13.711 8.307 ( -11.444 -6.607 6.440) 14.700 8.673 ( 6.698 3.867 -15.475) 17.300 9.054 ( -4.623 -2.669 10.691) 11.950 9.600 ( 8.403 4.852 -0.441) 9.714 10.086 ( 0.069 0.040 7.526) 7.526 10.423 ( 7.654 4.419 -2.453) 9.172 10.730 ( -1.050 -0.606 -3.452) 3.659 11.179 ( 0.495 0.286 0.081) 0.578 11.687 ( -5.863 -3.385 -4.177) 7.955 11.923 ( -3.832 -2.213 8.119) 9.247 12.143 ( -2.483 -1.434 -7.159) 7.712 12.397 ( -0.396 -0.229 -23.739) 23.743 12.397 ( 7.735 4.466 -2.454) 9.262 13.273 ( 5.269 3.042 4.213) 7.400 13.306 ( 5.182 2.992 -13.054) 14.361 13.702 ( 2.317 1.338 26.214) 26.350 14.339 ( -0.769 -0.444 3.243) 3.362 14.471 ( 0.243 0.140 41.393) 41.394 14.567 ( -0.889 -0.513 2.582) 2.779 14.916 ( 2.791 1.611 -10.477) 10.961 15.194 ( 7.753 4.476 0.770) 8.985 15.341 ( 12.737 7.354 -5.078) 15.560 16.164 ( -0.382 -0.221 -10.320) 10.329 16.189 ( -4.545 -2.624 -8.839) 10.280 16.354 ( -4.918 -2.839 1.136) 5.791 16.912 ( -5.537 -3.197 5.610) 8.506 16.951 ( 0.624 0.360 -4.604) 4.661 17.569 ( -3.059 -1.766 -4.845) 5.995 18.042 ( 1.871 1.080 -4.849) 5.308 18.506 ( 1.722 0.994 3.499) 4.025 19.503 ( -11.583 -6.688 13.835) 19.243 ======================= Grid point 119 (37/116) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -18.674 -10.781 3.178) 21.796 2.127 ( -15.842 -9.146 -10.271) 20.979 2.796 ( -8.929 -5.155 0.862) 10.346 2.941 ( -0.525 -0.303 7.402) 7.427 3.610 ( -10.643 -6.145 -13.402) 18.184 3.709 ( -1.684 -0.972 -2.262) 2.983 5.363 ( 6.964 4.020 0.451) 8.053 5.954 ( -19.091 -11.022 -2.694) 22.209 7.064 ( 3.790 2.188 1.812) 4.736 7.612 ( 11.914 6.879 1.618) 13.852 7.892 ( 1.919 1.108 -14.660) 14.827 8.217 ( -11.340 -6.547 7.223) 14.954 8.593 ( 11.156 6.441 -15.387) 20.068 9.114 ( -2.791 -1.612 7.063) 7.764 9.771 ( 8.719 5.034 4.910) 11.202 10.207 ( 0.610 0.352 7.463) 7.496 10.500 ( 8.205 4.737 -6.771) 11.645 10.731 ( 1.834 1.059 5.297) 5.705 11.224 ( 3.002 1.733 1.335) 3.715 11.515 ( -6.163 -3.558 -6.330) 9.524 11.922 ( -2.331 -1.346 -3.401) 4.337 11.987 ( -6.477 -3.739 -5.388) 9.217 12.137 ( -4.431 -2.558 -6.368) 8.169 12.495 ( 9.934 5.736 -3.159) 11.898 13.173 ( 2.237 1.292 -14.369) 14.599 13.460 ( 5.508 3.180 9.322) 11.285 14.151 ( 4.195 2.422 30.680) 31.060 14.359 ( -0.640 -0.370 0.084) 0.744 14.581 ( -2.042 -1.179 4.064) 4.699 14.835 ( 2.522 1.456 -7.286) 7.847 15.009 ( -1.159 -0.669 35.721) 35.746 15.370 ( 8.331 4.810 5.441) 11.052 15.458 ( 11.733 6.774 -6.276) 14.931 15.985 ( 0.786 0.454 -14.819) 14.847 16.012 ( 0.029 0.017 -9.512) 9.512 16.298 ( -7.136 -4.120 3.723) 9.042 16.827 ( -10.884 -6.284 1.691) 12.681 16.877 ( 3.478 2.008 -11.398) 12.085 17.465 ( -2.714 -1.567 -2.884) 4.259 17.984 ( 0.215 0.124 -6.533) 6.538 18.460 ( -8.227 -4.750 -1.080) 9.561 19.581 ( -4.986 -2.879 14.983) 16.051 ======================= Grid point 120 (38/116) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -22.789 -13.157 6.087) 27.010 1.685 ( -23.927 -13.814 -5.671) 28.205 2.683 ( -6.533 -3.772 -0.111) 7.544 3.034 ( 0.024 0.014 6.381) 6.381 3.097 ( -26.152 -15.099 -17.073) 34.690 3.637 ( -2.345 -1.354 -3.578) 4.487 5.522 ( 11.356 6.557 0.846) 13.140 5.533 ( -26.090 -15.063 -3.341) 30.311 7.108 ( 2.740 1.582 -3.511) 4.726 7.804 ( 3.934 2.271 -5.360) 7.026 7.885 ( 14.881 8.592 4.720) 17.820 8.145 ( -7.093 -4.095 4.276) 9.239 8.643 ( 17.205 9.933 -9.518) 22.029 9.173 ( 0.767 0.443 4.005) 4.102 9.974 ( 2.872 1.658 8.884) 9.482 10.293 ( 2.532 1.462 2.699) 3.980 10.510 ( 8.077 4.663 -8.935) 12.915 10.910 ( 5.088 2.938 9.855) 11.473 11.284 ( 0.857 0.495 2.307) 2.510 11.337 ( -5.467 -3.156 -5.656) 8.476 11.780 ( 1.281 0.739 -11.837) 11.930 11.795 ( -9.877 -5.703 -3.518) 11.935 12.062 ( -6.975 -4.027 4.853) 9.403 12.624 ( 10.697 6.176 -2.291) 12.563 13.005 ( 0.846 0.489 -12.803) 12.841 13.666 ( 4.225 2.440 8.377) 9.694 14.294 ( -4.725 -2.728 -3.033) 6.242 14.629 ( 4.721 2.725 24.422) 25.023 14.640 ( -0.533 -0.308 7.449) 7.474 14.818 ( 2.175 1.256 2.783) 3.749 15.345 ( -4.189 -2.418 15.398) 16.140 15.493 ( 7.101 4.100 -6.074) 10.204 15.541 ( 8.897 5.137 -5.306) 11.563 15.802 ( 2.047 1.182 -14.712) 14.900 16.079 ( 6.288 3.631 15.213) 16.857 16.226 ( -7.033 -4.061 2.125) 8.395 16.643 ( -12.039 -6.951 -0.651) 13.917 16.742 ( 5.668 3.273 -18.749) 19.859 17.422 ( -2.202 -1.271 2.446) 3.529 17.856 ( -3.142 -1.814 -9.080) 9.778 18.267 ( -13.110 -7.569 -1.007) 15.172 19.707 ( -1.857 -1.072 10.076) 10.301 ======================= Grid point 121 (39/116) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -24.400 -14.087 13.922) 31.427 1.301 ( -26.535 -15.320 11.123) 32.597 2.271 ( -40.449 -23.353 -11.618) 48.130 2.686 ( -3.268 -1.887 0.246) 3.781 3.109 ( -0.385 -0.222 4.911) 4.931 3.545 ( -2.009 -1.160 -4.723) 5.262 5.100 ( -24.839 -14.341 0.531) 28.686 5.736 ( 13.600 7.852 1.628) 15.788 7.057 ( 2.996 1.730 -9.663) 10.264 7.773 ( -10.573 -6.104 4.325) 12.952 8.178 ( 11.439 6.605 6.876) 14.891 8.184 ( 11.507 6.644 -0.965) 13.322 8.853 ( 19.668 11.355 -4.204) 23.096 9.230 ( 3.692 2.132 -2.688) 5.040 10.011 ( -9.321 -5.382 2.953) 11.161 10.449 ( 10.215 5.897 6.529) 13.481 10.525 ( 9.851 5.688 -9.801) 15.015 11.077 ( 2.116 1.221 2.868) 3.767 11.198 ( -4.557 -2.631 -2.903) 6.009 11.311 ( -5.991 -3.459 8.221) 10.744 11.587 ( -12.141 -7.010 -0.982) 14.054 11.729 ( 9.217 5.321 -5.416) 11.941 12.000 ( -6.599 -3.810 1.589) 7.784 12.765 ( 9.390 5.421 0.062) 10.843 12.876 ( 1.676 0.968 -8.004) 8.234 13.795 ( 2.167 1.251 2.267) 3.376 14.154 ( -8.045 -4.645 -1.599) 9.426 14.754 ( 1.456 0.841 7.467) 7.654 14.790 ( 3.149 1.818 0.824) 3.729 15.105 ( 0.164 0.095 20.742) 20.743 15.196 ( -1.363 -0.787 -20.151) 20.213 15.572 ( 4.355 2.515 -5.437) 7.406 15.645 ( 3.121 1.802 10.019) 10.648 15.715 ( 5.706 3.295 -2.596) 7.082 16.137 ( -5.054 -2.918 -1.155) 5.949 16.308 ( -9.386 -5.419 3.051) 11.259 16.569 ( 7.874 4.546 -20.399) 22.333 16.620 ( 5.937 3.428 18.429) 19.663 17.452 ( -1.787 -1.032 5.932) 6.280 17.635 ( -7.050 -4.070 -11.053) 13.727 18.047 ( -14.140 -8.164 1.222) 16.373 19.771 ( -0.717 -0.414 1.398) 1.625 ======================= Grid point 122 (40/116) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -22.294 -12.872 23.986) 35.186 1.128 ( -27.786 -16.042 13.511) 34.813 1.588 ( -37.567 -21.689 22.464) 48.850 2.725 ( 1.114 0.643 7.648) 7.755 3.153 ( -1.379 -0.796 3.406) 3.760 3.435 ( -2.389 -1.379 -7.162) 7.675 4.795 ( -18.886 -10.904 6.388) 22.724 6.014 ( 15.986 9.230 6.091) 19.438 6.968 ( 5.158 2.978 -11.942) 13.345 7.595 ( -18.564 -10.718 5.179) 22.052 8.418 ( 5.871 3.390 7.651) 10.222 8.423 ( 18.435 10.643 -3.727) 21.610 9.092 ( 16.283 9.401 -4.689) 19.378 9.137 ( -1.415 -0.817 -14.600) 14.692 9.805 ( -13.396 -7.734 -5.170) 16.309 10.543 ( 10.860 6.270 -11.488) 17.007 10.737 ( 9.787 5.650 8.715) 14.271 11.050 ( -2.730 -1.576 -3.372) 4.616 11.117 ( -3.580 -2.067 0.505) 4.164 11.326 ( -7.210 -4.162 8.809) 12.120 11.411 ( -11.417 -6.591 4.344) 13.880 11.861 ( 0.717 0.414 1.110) 1.385 11.972 ( 6.749 3.897 4.880) 9.195 12.852 ( 4.267 2.464 -2.514) 5.532 12.947 ( 8.063 4.655 6.719) 11.482 13.794 ( 0.977 0.564 -5.195) 5.316 14.015 ( -8.942 -5.162 1.385) 10.417 14.798 ( -0.372 -0.215 -7.532) 7.544 14.802 ( 3.097 1.788 -20.965) 21.268 14.934 ( -1.773 -1.024 1.245) 2.396 15.146 ( -2.917 -1.684 -6.743) 7.537 15.692 ( 4.159 2.401 8.973) 10.177 15.797 ( 1.495 0.863 5.976) 6.221 15.867 ( 4.302 2.484 10.915) 11.992 16.043 ( -2.620 -1.513 -2.289) 3.794 16.101 ( -8.750 -5.052 -6.682) 12.114 16.488 ( 11.243 6.491 -11.793) 17.539 17.037 ( 6.199 3.579 20.052) 21.291 17.360 ( -8.142 -4.701 -8.309) 12.547 17.510 ( -1.374 -0.793 5.548) 5.770 17.877 ( -12.844 -7.415 5.566) 15.841 19.719 ( -0.192 -0.111 -5.965) 5.969 ======================= Grid point 125 (41/116) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( -0.000 -4.942 22.384) 22.923 2.248 ( 0.000 14.661 22.297) 26.686 2.794 ( -0.000 -4.018 -0.663) 4.072 3.128 ( 0.000 2.404 1.006) 2.606 3.249 ( 0.000 6.842 2.651) 7.338 3.559 ( -0.000 0.017 17.761) 17.761 5.383 ( 0.000 8.614 18.558) 20.460 6.257 ( -0.000 -14.735 -17.290) 22.717 6.535 ( 0.000 -1.944 -8.822) 9.034 7.841 ( -0.000 10.487 28.487) 30.356 8.500 ( -0.000 -12.531 -1.013) 12.572 8.617 ( -0.000 -8.533 -14.574) 16.889 8.785 ( 0.000 1.593 -10.059) 10.185 8.830 ( 0.000 8.581 2.481) 8.933 9.405 ( 0.000 4.458 4.923) 6.641 10.208 ( -0.000 -21.795 -7.255) 22.971 10.523 ( 0.000 5.562 -10.364) 11.763 10.666 ( 0.000 14.082 -3.829) 14.593 11.608 ( -0.000 -4.621 13.052) 13.846 11.645 ( -0.000 -8.700 1.005) 8.757 11.893 ( 0.000 4.339 1.304) 4.531 11.979 ( -0.000 1.358 15.961) 16.018 12.586 ( 0.000 -4.252 -16.381) 16.924 12.803 ( 0.000 8.846 -19.388) 21.311 13.323 ( 0.000 -4.603 -18.461) 19.027 13.374 ( -0.000 -2.765 -2.454) 3.697 13.384 ( -0.000 -0.821 34.841) 34.850 13.463 ( 0.000 4.909 -20.635) 21.211 14.233 ( 0.000 5.419 10.108) 11.469 14.599 ( -0.000 -1.941 -4.907) 5.276 14.834 ( 0.000 12.410 -7.864) 14.691 15.160 ( 0.000 0.124 -12.532) 12.533 15.176 ( 0.000 1.006 -12.951) 12.990 16.231 ( -0.000 -6.913 10.257) 12.369 16.421 ( 0.000 4.166 7.552) 8.625 16.616 ( 0.000 0.360 -5.696) 5.707 16.738 ( -0.000 -10.569 4.652) 11.547 17.030 ( 0.000 9.681 -0.740) 9.710 17.757 ( -0.000 4.186 17.340) 17.838 17.841 ( -0.000 -5.889 1.785) 6.154 18.009 ( 0.000 7.151 0.367) 7.161 19.864 ( -0.000 -8.170 5.373) 9.778 ======================= Grid point 126 (42/116) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -7.296 -0.240 17.474) 18.938 2.597 ( -2.278 5.153 10.180) 11.635 2.773 ( 6.598 0.866 2.414) 7.079 3.079 ( -9.693 3.098 1.563) 10.295 3.423 ( 10.561 6.429 2.156) 12.551 3.757 ( 1.265 -1.701 9.550) 9.782 5.722 ( 4.582 9.968 15.066) 18.637 5.830 ( -12.792 -12.649 -12.843) 22.104 6.515 ( 11.478 0.724 -6.564) 13.242 8.166 ( -3.756 -11.061 8.792) 14.621 8.335 ( -4.832 -6.407 -13.069) 15.336 8.426 ( -7.389 5.383 11.862) 14.976 8.654 ( 3.184 0.222 -12.792) 13.184 8.956 ( 5.750 6.027 2.648) 8.740 9.487 ( -2.347 1.923 4.113) 5.111 9.987 ( 4.791 -23.421 -4.939) 24.410 10.407 ( -2.663 7.862 -8.494) 11.876 10.736 ( 1.540 13.124 -3.205) 13.597 11.428 ( -7.194 -12.454 -6.894) 15.950 11.778 ( 2.514 -5.812 10.078) 11.902 11.973 ( -3.770 4.314 4.705) 7.414 12.170 ( 2.924 -1.207 6.635) 7.350 12.320 ( -3.049 1.972 -12.796) 13.301 12.630 ( 5.584 8.350 -22.230) 24.394 13.088 ( 4.693 -2.867 -12.890) 14.015 13.237 ( 2.704 5.121 -14.533) 15.644 13.430 ( -0.670 -1.844 10.808) 10.985 13.912 ( -0.323 -1.338 41.128) 41.151 14.399 ( -2.031 5.553 7.279) 9.378 14.532 ( -3.027 3.035 0.109) 4.288 14.872 ( 8.401 9.666 -7.637) 14.911 15.024 ( 1.737 1.680 -9.112) 9.427 15.040 ( 1.963 3.194 -9.309) 10.035 16.295 ( -3.258 -5.698 6.389) 9.159 16.416 ( 3.133 -5.701 -6.994) 9.552 16.516 ( -3.150 -4.566 -4.971) 7.449 16.819 ( 0.291 2.431 10.340) 10.626 17.044 ( -1.298 7.124 -4.242) 8.392 17.773 ( -4.490 -4.382 -0.299) 6.281 18.020 ( 2.315 5.775 -0.939) 6.292 18.106 ( 5.574 4.989 13.467) 15.405 19.844 ( -6.551 -10.522 7.318) 14.394 ======================= Grid point 127 (43/116) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -12.009 2.278 11.887) 17.050 2.535 ( -3.956 -3.727 -5.063) 7.428 2.996 ( -1.822 2.331 9.681) 10.123 3.032 ( -4.822 3.874 5.509) 8.283 3.599 ( 8.536 4.459 0.970) 9.680 3.800 ( -0.786 -3.175 -1.356) 3.541 5.451 ( -8.088 -9.822 -9.012) 15.592 6.057 ( 4.090 10.415 11.928) 16.355 6.629 ( 13.757 3.085 -0.307) 14.102 7.922 ( -16.326 -12.491 -5.697) 21.331 8.082 ( -0.196 -4.263 -13.835) 14.479 8.495 ( 6.341 -0.599 -16.715) 17.888 8.595 ( -11.198 3.341 12.651) 17.222 9.126 ( 3.284 1.191 9.746) 10.353 9.457 ( -0.941 -1.248 -3.885) 4.187 9.926 ( 10.708 -17.536 3.711) 20.879 10.352 ( 1.127 8.395 -6.359) 10.592 10.780 ( -2.900 12.219 -2.028) 12.721 11.195 ( -1.532 -9.502 -6.288) 11.497 11.824 ( -4.751 -4.146 1.782) 6.553 11.968 ( 0.693 -2.167 0.026) 2.275 12.160 ( -1.688 9.419 -8.232) 12.623 12.263 ( 3.665 -5.773 -3.077) 7.498 12.450 ( -3.344 6.101 -9.816) 12.031 13.045 ( 10.711 -2.332 -5.955) 12.475 13.173 ( 6.303 6.976 -8.890) 12.939 13.667 ( 0.868 1.032 23.374) 23.413 14.422 ( -5.714 5.312 2.451) 8.178 14.474 ( -0.338 -1.686 40.455) 40.491 14.587 ( -0.631 2.234 4.694) 5.237 14.872 ( 1.357 3.659 -7.165) 8.158 15.012 ( 7.398 4.071 -2.363) 8.769 15.058 ( 9.405 9.017 -5.456) 14.125 16.175 ( -0.560 -3.208 -12.459) 12.878 16.304 ( -4.527 -6.594 -8.404) 11.602 16.428 ( -0.756 -5.051 4.726) 6.959 16.916 ( -1.389 -1.011 -1.233) 2.115 17.029 ( -0.695 5.698 0.630) 5.774 17.667 ( -5.094 -3.818 -2.237) 6.748 18.020 ( 0.156 6.732 -4.876) 8.314 18.388 ( 6.339 3.274 9.528) 11.903 19.789 ( -10.146 -10.596 10.635) 18.120 ======================= Grid point 128 (44/116) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -19.320 1.995 7.078) 20.673 2.371 ( -5.218 -5.053 -6.188) 9.542 3.018 ( -6.065 2.191 6.204) 8.948 3.089 ( -11.066 -3.474 7.206) 13.655 3.674 ( -0.089 -2.116 -4.803) 5.249 3.716 ( 3.256 1.088 -4.550) 5.700 5.275 ( 0.669 -4.678 -3.136) 5.671 6.246 ( -4.722 5.260 6.354) 9.505 6.857 ( 13.120 2.419 5.198) 14.319 7.583 ( -11.280 -6.025 -5.991) 14.122 7.869 ( 0.331 -1.351 -15.004) 15.069 8.324 ( 10.192 0.445 -20.988) 23.336 8.569 ( -16.062 -1.725 8.570) 18.287 9.213 ( -5.388 -8.077 6.858) 11.887 9.501 ( 13.160 6.484 -0.529) 14.680 10.050 ( 11.320 -13.473 8.562) 19.569 10.355 ( 4.504 6.474 -6.593) 10.279 10.784 ( -5.356 9.523 0.052) 10.926 11.122 ( 5.060 -2.909 -1.796) 6.106 11.709 ( -8.535 -0.130 -3.046) 9.063 11.947 ( 1.044 -2.272 -5.507) 6.048 12.047 ( 1.522 3.343 -12.041) 12.589 12.224 ( -3.137 -2.798 3.534) 5.492 12.389 ( -3.023 2.663 0.208) 4.034 13.036 ( 8.667 0.282 -12.517) 15.227 13.277 ( 9.516 4.621 3.777) 11.233 14.070 ( 2.549 2.468 29.246) 29.460 14.412 ( -4.075 4.494 0.661) 6.103 14.623 ( -0.949 0.011 3.242) 3.378 14.808 ( -0.790 2.077 -2.651) 3.459 15.028 ( -0.049 -0.796 33.991) 34.000 15.166 ( 10.128 6.487 3.499) 12.526 15.180 ( 9.184 7.383 0.075) 11.784 15.961 ( 0.942 -2.803 -15.655) 15.932 16.062 ( -3.706 -3.444 -12.683) 13.655 16.449 ( -3.972 -4.823 6.008) 8.668 16.795 ( 1.698 1.425 -14.441) 14.610 17.041 ( -5.406 -3.254 2.742) 6.880 17.552 ( -5.152 -3.427 -1.515) 6.371 17.997 ( -1.130 8.117 -5.227) 9.720 18.526 ( 1.664 -0.751 2.024) 2.726 19.770 ( -9.404 -7.883 13.111) 17.957 ======================= Grid point 129 (45/116) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -22.751 -5.691 3.355) 23.691 2.183 ( -14.430 -1.496 -0.580) 14.519 2.933 ( -15.578 -6.140 3.512) 17.109 3.079 ( -4.077 2.350 6.809) 8.277 3.503 ( -6.449 -5.191 -10.704) 13.532 3.687 ( -2.043 -1.817 -2.476) 3.688 5.294 ( 7.707 -0.312 -0.023) 7.714 6.144 ( -22.221 -4.309 1.821) 22.708 7.013 ( 4.437 -3.229 0.829) 5.550 7.541 ( 10.313 5.385 1.623) 11.747 7.689 ( 2.499 3.198 -12.770) 13.400 8.218 ( 15.943 3.309 -17.013) 23.549 8.482 ( -15.318 -0.909 7.985) 17.298 9.165 ( -0.450 -6.596 0.026) 6.612 9.755 ( 13.234 5.830 6.720) 15.947 10.195 ( 8.490 -11.627 6.352) 15.736 10.352 ( 5.127 5.502 -7.976) 10.963 10.821 ( 0.944 4.314 2.468) 5.059 11.188 ( 5.115 2.440 1.952) 5.994 11.561 ( -10.946 5.456 -3.676) 12.771 11.793 ( -1.153 -2.094 -11.133) 11.386 11.964 ( -3.025 -3.790 -1.859) 5.193 12.223 ( -4.944 -3.876 5.566) 8.393 12.411 ( 2.909 3.449 0.208) 4.517 12.939 ( 4.993 1.719 -13.418) 14.420 13.497 ( 10.092 2.842 5.707) 11.937 14.382 ( -3.175 1.209 0.394) 3.420 14.534 ( 2.799 3.467 25.690) 26.073 14.666 ( -0.094 -0.781 4.674) 4.740 14.806 ( -2.061 2.827 4.526) 5.720 15.291 ( 10.922 4.001 -2.602) 11.919 15.314 ( 6.780 4.322 3.939) 8.954 15.465 ( -4.209 -1.271 11.895) 12.681 15.751 ( 2.449 -1.797 -14.596) 14.909 15.948 ( 3.517 1.701 7.751) 8.680 16.416 ( -7.665 -3.765 3.050) 9.069 16.603 ( 5.634 2.319 -21.121) 21.982 16.927 ( -10.123 -7.895 0.147) 12.839 17.472 ( -3.110 -3.995 1.054) 5.171 17.951 ( -4.360 8.860 -5.743) 11.423 18.484 ( -4.687 -4.979 -1.558) 7.014 19.803 ( -6.067 -4.514 10.327) 12.799 ======================= Grid point 130 (46/116) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -22.517 -15.834 7.304) 28.480 2.004 ( -24.862 3.473 7.717) 26.263 2.792 ( -10.662 -3.586 4.570) 12.142 3.112 ( -23.060 -11.781 -8.605) 27.287 3.142 ( -3.630 0.501 4.147) 5.534 3.599 ( -2.730 -1.522 -3.906) 5.002 5.425 ( 11.496 1.503 1.095) 11.645 5.788 ( -30.684 -8.541 2.090) 31.919 6.981 ( 2.977 -0.727 -8.520) 9.054 7.657 ( 9.707 7.066 -6.941) 13.869 7.824 ( 15.964 4.619 7.815) 18.364 8.281 ( 10.297 0.060 -3.630) 10.918 8.431 ( -4.388 6.759 2.827) 8.540 9.123 ( 4.675 -3.512 -4.840) 7.590 10.046 ( 10.175 1.782 9.086) 13.757 10.243 ( 4.484 -8.085 0.009) 9.245 10.345 ( 5.207 7.823 -7.447) 11.990 10.914 ( 7.586 -3.779 2.208) 8.758 11.333 ( 2.880 7.157 7.965) 11.089 11.431 ( -10.702 8.574 -3.785) 14.225 11.634 ( -0.982 -3.325 -6.560) 7.420 11.846 ( -9.308 -6.915 1.246) 11.662 12.179 ( -7.454 -4.006 2.030) 8.702 12.506 ( 9.383 1.787 -0.206) 9.554 12.844 ( 2.369 3.897 -8.335) 9.501 13.676 ( 8.274 1.455 1.358) 8.510 14.326 ( -6.127 -0.415 -0.027) 6.141 14.726 ( 2.071 -0.811 4.727) 5.224 14.763 ( -2.124 0.393 5.908) 6.291 15.067 ( 2.774 2.997 24.427) 24.766 15.186 ( 1.889 -1.252 -22.242) 22.357 15.459 ( 6.011 3.388 2.123) 7.220 15.560 ( 4.636 0.155 2.183) 5.126 15.585 ( 2.444 1.577 -4.861) 5.665 16.270 ( -2.746 -1.397 -7.022) 7.668 16.338 ( 4.887 2.822 21.257) 21.994 16.424 ( 2.330 0.744 -11.706) 11.959 16.721 ( -11.870 -7.946 -1.099) 14.327 17.450 ( 0.032 -5.980 2.678) 6.553 17.851 ( -9.480 9.504 -5.663) 14.570 18.337 ( -9.166 -6.718 -1.002) 11.409 19.816 ( -3.351 -2.763 2.405) 4.965 ======================= Grid point 131 (47/116) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -19.171 -19.950 19.695) 33.962 1.830 ( -28.195 -2.557 9.334) 29.810 2.582 ( -37.006 -8.455 2.765) 38.061 2.760 ( -5.600 -1.568 7.262) 9.304 3.174 ( -1.251 -3.073 3.018) 4.485 3.508 ( -3.289 1.889 -3.785) 5.358 5.392 ( -28.601 -9.339 5.959) 30.671 5.641 ( 13.101 3.117 2.884) 13.773 6.873 ( 3.393 5.393 -13.728) 15.134 7.792 ( 11.069 5.745 -1.163) 12.525 8.121 ( 8.197 -5.380 9.276) 13.497 8.255 ( -3.782 0.381 4.664) 6.017 8.629 ( 19.533 11.750 -2.844) 22.971 9.079 ( 5.741 0.625 -9.887) 11.450 10.067 ( -6.872 -6.354 -4.203) 10.259 10.265 ( 11.469 1.136 -9.418) 14.884 10.499 ( 9.835 7.572 8.605) 15.103 10.984 ( 5.878 -6.315 1.275) 8.721 11.294 ( -8.903 3.806 -4.446) 10.654 11.528 ( -8.066 0.078 7.238) 10.838 11.611 ( 8.063 4.052 4.221) 9.963 11.716 ( -9.177 -3.283 6.336) 11.625 12.053 ( -7.469 -3.314 -2.718) 8.611 12.638 ( 12.383 -1.928 0.198) 12.534 12.853 ( 1.112 8.971 0.974) 9.092 13.733 ( 5.003 -0.569 -4.999) 7.095 14.242 ( -9.021 -0.816 1.873) 9.250 14.719 ( 2.184 -2.636 -17.003) 17.344 14.809 ( 0.242 1.320 1.120) 1.747 14.931 ( 0.697 -5.251 -4.293) 6.818 15.216 ( -2.420 2.011 -11.140) 11.576 15.567 ( 6.220 1.384 12.218) 13.780 15.688 ( 7.297 -1.063 7.895) 10.803 15.756 ( 4.686 3.802 9.016) 10.849 16.077 ( 2.718 0.254 -12.771) 13.059 16.310 ( -1.916 -2.415 -6.276) 6.992 16.405 ( -12.447 -1.713 -2.791) 12.871 16.858 ( 6.811 1.148 23.538) 24.530 17.423 ( 0.291 -8.723 -1.338) 8.830 17.732 ( -13.090 11.408 -0.867) 17.385 18.174 ( -11.033 -6.293 2.086) 12.872 19.738 ( -1.708 -2.265 -6.592) 7.176 ======================= Grid point 132 (48/116) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -25.193 -24.816 11.848) 37.295 1.538 ( -19.410 -9.936 22.104) 31.049 2.386 ( -29.557 7.314 26.137) 40.128 2.830 ( -2.156 0.323 9.970) 10.206 3.146 ( 0.734 -9.366 0.158) 9.396 3.449 ( -6.061 7.450 -1.821) 9.776 5.127 ( -25.343 -5.551 10.935) 28.154 5.908 ( 20.026 -0.776 5.428) 20.763 6.791 ( 4.125 14.145 -13.606) 20.056 7.804 ( -14.188 -7.755 4.057) 16.670 8.214 ( 13.255 -1.357 -0.461) 13.332 8.449 ( 10.183 -1.148 8.533) 13.335 8.853 ( 15.490 5.809 -8.049) 18.397 9.012 ( 1.826 6.822 -6.796) 9.801 9.823 ( -11.496 -5.817 -7.852) 15.089 10.269 ( 12.532 5.936 -12.956) 18.977 10.758 ( 7.683 0.441 5.672) 9.560 11.002 ( 0.718 -2.043 -0.708) 2.278 11.168 ( -5.017 -3.053 -0.139) 5.875 11.491 ( -6.548 -1.444 2.897) 7.304 11.593 ( -10.300 -3.148 9.060) 14.074 11.923 ( -4.108 -2.047 -1.795) 4.929 12.002 ( 9.012 7.688 16.802) 20.558 12.766 ( 9.677 -0.070 0.041) 9.677 13.017 ( 4.237 9.975 6.752) 12.768 13.660 ( 2.004 -2.618 -9.376) 9.939 14.158 ( -10.754 0.015 3.611) 11.344 14.379 ( 3.659 -1.504 -30.574) 30.829 14.650 ( -4.964 -4.004 -16.689) 17.866 14.990 ( -0.251 -3.033 -11.960) 12.341 15.007 ( 0.831 -2.372 4.932) 5.536 15.664 ( 3.986 -0.176 -9.049) 9.890 15.791 ( 2.102 -0.405 -2.531) 3.315 16.018 ( 5.537 3.319 14.289) 15.680 16.064 ( -4.782 -5.101 0.976) 7.060 16.156 ( -2.511 0.104 8.123) 8.503 16.347 ( 2.600 5.935 -0.767) 6.525 17.183 ( 1.132 -9.654 8.973) 13.229 17.347 ( 0.987 1.756 5.035) 5.423 17.687 ( -10.980 10.548 2.866) 15.493 18.056 ( -10.798 -5.677 5.403) 13.343 19.616 ( 2.425 -1.229 -6.692) 7.223 ======================= Grid point 136 (49/116) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -0.000 -0.118 12.024) 12.025 2.629 ( -0.000 -2.153 -4.591) 5.071 2.903 ( 0.000 11.775 12.128) 16.904 3.189 ( 0.000 2.919 0.899) 3.054 3.435 ( 0.000 7.171 3.331) 7.907 3.828 ( -0.000 -5.138 4.549) 6.862 5.584 ( -0.000 -16.305 -14.164) 21.598 6.009 ( 0.000 12.507 14.901) 19.454 6.420 ( 0.000 5.684 -0.296) 5.692 8.089 ( -0.000 -7.434 -15.060) 16.795 8.145 ( -0.000 -14.193 -0.397) 14.199 8.420 ( 0.000 -0.702 -18.687) 18.700 8.809 ( -0.000 6.929 21.085) 22.194 8.949 ( 0.000 7.653 -2.299) 7.991 9.607 ( -0.000 0.348 7.022) 7.031 9.697 ( -0.000 -28.118 -4.837) 28.531 10.333 ( 0.000 5.548 -8.797) 10.400 10.822 ( 0.000 16.859 -0.246) 16.861 11.218 ( -0.000 -15.607 -11.358) 19.302 11.883 ( -0.000 -3.897 6.783) 7.823 11.986 ( 0.000 -2.568 -6.732) 7.205 12.120 ( -0.000 -2.798 -4.650) 5.427 12.263 ( 0.000 12.348 -4.387) 13.105 12.509 ( 0.000 6.951 -3.901) 7.971 12.881 ( -0.000 -3.314 -7.789) 8.465 13.084 ( 0.000 5.628 -9.989) 11.466 13.657 ( -0.000 0.876 22.226) 22.243 14.468 ( -0.000 -2.504 38.313) 38.394 14.565 ( 0.000 5.759 9.179) 10.836 14.572 ( 0.000 5.077 -1.161) 5.208 14.811 ( 0.000 8.658 -2.462) 9.001 14.932 ( 0.000 3.458 -4.610) 5.763 14.940 ( 0.000 5.050 -6.444) 8.187 16.183 ( 0.000 -4.202 -14.486) 15.084 16.389 ( -0.000 -7.829 -9.681) 12.451 16.400 ( -0.000 -7.480 8.559) 11.367 16.983 ( 0.000 5.070 -11.483) 12.552 16.988 ( -0.000 3.629 9.706) 10.362 17.750 ( -0.000 -4.484 -1.804) 4.833 18.020 ( 0.000 8.887 -4.502) 9.962 18.292 ( -0.000 4.033 12.258) 12.904 19.917 ( -0.000 -11.796 9.286) 15.013 ======================= Grid point 137 (50/116) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -1.123 -4.487 -1.309) 4.807 2.577 ( -11.020 5.129 5.607) 13.386 3.143 ( 4.028 7.622 8.030) 11.781 3.181 ( -5.882 2.693 2.305) 6.868 3.562 ( 5.629 5.686 1.628) 8.165 3.784 ( -5.012 -6.494 -1.416) 8.324 5.293 ( -1.151 -14.518 -9.103) 17.175 6.281 ( -0.669 12.795 11.529) 17.236 6.562 ( 9.001 7.803 5.526) 13.132 7.844 ( -0.713 -5.197 -13.997) 14.948 7.962 ( -11.906 -10.502 -3.777) 16.318 8.145 ( 4.104 -0.900 -22.819) 23.202 8.894 ( -9.137 2.726 5.192) 10.857 9.172 ( 10.210 4.612 8.700) 14.185 9.387 ( -6.540 -21.412 -3.474) 22.657 9.770 ( 10.307 -8.251 6.739) 14.824 10.274 ( 1.975 5.784 -7.038) 9.321 10.910 ( -4.324 9.110 -1.992) 10.279 11.006 ( 4.180 -5.434 -5.423) 8.741 11.824 ( -1.443 -4.782 -4.222) 6.540 11.900 ( 1.964 -1.845 -4.725) 5.440 12.094 ( -5.211 5.916 -2.960) 8.421 12.274 ( -0.237 7.465 -2.201) 7.787 12.493 ( -3.040 2.096 -0.001) 3.692 12.840 ( 5.312 -2.412 -3.750) 6.935 13.062 ( 6.732 5.466 -3.193) 9.240 14.032 ( 0.745 3.014 28.663) 28.830 14.538 ( -5.680 4.688 -0.484) 7.381 14.622 ( 0.982 -0.328 1.345) 1.697 14.874 ( -4.075 5.612 2.589) 7.403 14.902 ( 7.204 5.524 -0.981) 9.131 15.002 ( 5.994 6.531 1.977) 9.083 15.063 ( 0.275 0.491 37.681) 37.685 15.946 ( 0.324 -4.288 -16.315) 16.872 16.156 ( -3.228 -5.638 -13.323) 14.823 16.457 ( 1.743 -5.876 4.302) 7.488 16.800 ( -0.974 1.862 -16.694) 16.826 17.107 ( -0.996 -1.308 6.021) 6.241 17.678 ( -3.858 -3.519 -1.044) 5.325 18.022 ( -0.687 11.066 -4.391) 11.925 18.455 ( 2.626 2.197 5.191) 6.218 19.948 ( -4.342 -10.758 10.534) 15.670 ======================= Grid point 138 (51/116) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -3.866 -5.307 -3.533) 7.456 2.538 ( -17.640 5.750 7.301) 19.939 3.172 ( -5.152 1.868 3.657) 6.589 3.279 ( -4.198 1.055 6.132) 7.506 3.597 ( -7.808 -4.622 -6.908) 11.404 3.662 ( 3.836 3.063 -0.184) 4.912 5.149 ( 4.775 -9.449 -3.051) 11.018 6.463 ( -5.725 9.598 8.339) 13.944 6.841 ( 10.045 5.569 8.938) 14.554 7.586 ( -9.553 -5.571 -8.911) 14.202 7.694 ( -4.715 -1.102 -11.260) 12.257 7.912 ( 8.090 1.004 -20.593) 22.148 8.844 ( -13.807 -3.717 7.352) 16.078 9.158 ( 3.268 -11.608 -8.139) 14.549 9.441 ( 10.235 0.535 9.714) 14.120 9.931 ( 11.572 -10.565 6.505) 16.966 10.260 ( 2.785 6.398 -5.456) 8.857 10.805 ( 1.697 -6.341 -4.922) 8.205 11.097 ( 1.775 11.985 2.640) 12.400 11.734 ( -0.840 -4.578 -2.556) 5.310 11.845 ( -2.527 2.290 -6.443) 7.290 11.992 ( -5.345 6.470 -2.884) 8.874 12.295 ( -1.702 -1.736 1.700) 2.967 12.489 ( -3.936 3.859 2.816) 6.190 12.797 ( 4.424 0.811 -9.686) 10.679 13.218 ( 12.366 3.332 2.483) 13.045 14.435 ( -0.503 1.952 16.684) 16.805 14.530 ( -3.345 3.960 12.108) 13.171 14.647 ( 1.026 -2.389 3.361) 4.249 14.898 ( -4.753 4.955 4.744) 8.345 15.035 ( 9.862 4.539 0.013) 10.856 15.163 ( 5.905 5.472 3.895) 8.944 15.556 ( -2.879 -1.651 24.959) 25.179 15.689 ( 2.395 -4.646 -13.026) 14.036 15.932 ( -1.763 -0.192 -6.568) 6.803 16.449 ( 5.083 0.600 -13.030) 14.000 16.567 ( -2.780 -4.671 -8.138) 9.786 17.103 ( -4.982 -6.249 2.686) 8.431 17.587 ( -5.672 -3.122 -0.345) 6.484 18.035 ( -2.370 13.209 -3.453) 13.857 18.514 ( 0.990 -1.317 -0.165) 1.656 19.956 ( -5.651 -8.255 8.601) 13.193 ======================= Grid point 139 (52/116) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -12.476 -6.695 1.291) 14.218 2.453 ( -17.391 3.374 6.920) 19.019 3.141 ( -12.444 -2.538 3.725) 13.236 3.244 ( -9.415 0.682 4.943) 10.655 3.410 ( -3.440 -3.000 -7.114) 8.452 3.673 ( -1.738 -0.142 -1.781) 2.493 5.175 ( 9.509 -4.210 0.413) 10.407 6.447 ( -20.800 0.956 5.505) 21.537 6.966 ( -2.085 -3.860 -2.477) 5.038 7.500 ( 8.380 6.319 2.601) 10.813 7.535 ( 1.062 3.379 -9.573) 10.207 7.846 ( 15.356 6.684 -11.579) 20.361 8.747 ( -12.310 -1.776 5.356) 13.542 9.035 ( 2.926 -10.154 -5.944) 12.124 9.720 ( 14.432 0.161 8.811) 16.910 10.049 ( 10.475 -10.088 1.121) 14.585 10.283 ( 2.090 7.436 -2.275) 8.052 10.759 ( 5.681 -6.105 -1.692) 8.509 11.249 ( 2.675 11.802 3.633) 12.635 11.661 ( -0.895 -5.347 -5.017) 7.386 11.696 ( -9.712 8.190 -3.450) 13.165 11.996 ( -3.216 -1.985 4.650) 5.992 12.263 ( -1.229 -3.150 0.108) 3.383 12.493 ( -7.160 2.532 1.858) 7.819 12.736 ( 6.484 4.946 -9.185) 12.283 13.415 ( 12.954 2.164 0.354) 13.138 14.454 ( -5.083 0.009 2.666) 5.740 14.682 ( 1.663 -3.089 5.355) 6.402 14.841 ( -3.469 0.676 12.256) 12.756 15.008 ( 1.148 3.798 16.457) 16.929 15.113 ( 4.445 -1.683 -12.620) 13.486 15.296 ( 6.213 4.918 3.299) 8.583 15.439 ( 5.320 -1.966 -6.646) 8.737 15.632 ( -5.365 1.009 -5.733) 7.916 16.184 ( 6.075 1.138 0.084) 6.181 16.223 ( 4.384 2.137 2.399) 5.435 16.486 ( -3.020 -5.326 0.799) 6.175 16.988 ( -9.455 -7.642 0.341) 12.162 17.503 ( -4.608 -3.614 0.690) 5.897 18.040 ( -5.823 14.081 -2.776) 15.489 18.468 ( -2.334 -4.403 -1.944) 5.349 19.923 ( -5.053 -6.072 2.449) 8.270 ======================= Grid point 140 (53/116) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -19.348 -9.209 10.404) 23.820 2.363 ( -16.525 -0.820 6.672) 17.840 2.969 ( -15.295 -4.602 0.588) 15.983 3.205 ( -5.869 -2.938 -0.513) 6.583 3.271 ( -11.743 -0.204 4.841) 12.703 3.597 ( -4.674 0.599 -2.103) 5.161 5.304 ( 11.930 -1.297 1.984) 12.163 6.176 ( -31.819 -5.389 5.959) 32.818 6.814 ( 0.673 1.408 -13.092) 13.185 7.517 ( 7.420 5.893 -4.125) 10.334 7.804 ( 13.950 5.240 10.694) 18.342 8.028 ( 20.048 9.597 -3.259) 22.464 8.677 ( -12.818 1.345 5.114) 13.866 8.918 ( 5.585 -7.565 -8.421) 12.623 9.963 ( 11.709 -1.695 0.603) 11.846 10.080 ( 8.563 -9.822 -2.835) 13.335 10.353 ( 1.613 9.433 3.327) 10.132 10.813 ( 8.016 -4.745 2.494) 9.643 11.390 ( 4.147 7.142 -4.620) 9.463 11.525 ( -5.498 2.553 0.816) 6.116 11.681 ( -5.061 3.426 6.314) 8.787 11.965 ( -9.195 -6.111 6.215) 12.669 12.222 ( -4.003 -3.796 -1.087) 5.623 12.429 ( 1.230 1.163 -3.269) 3.681 12.791 ( 4.779 8.932 -0.410) 10.138 13.543 ( 10.764 0.952 -4.203) 11.595 14.425 ( -6.649 -1.142 3.769) 7.728 14.698 ( -0.121 -4.829 -23.693) 24.180 14.778 ( 2.186 -3.497 8.326) 9.291 14.960 ( -3.446 -2.310 -1.166) 4.309 15.248 ( 0.754 2.847 -9.135) 9.598 15.418 ( 5.517 0.657 8.692) 10.316 15.512 ( 6.165 0.613 10.031) 11.790 15.634 ( 5.465 2.311 4.080) 7.201 15.959 ( 4.964 1.085 -16.487) 17.253 16.404 ( -3.675 -3.515 -2.825) 5.818 16.626 ( 0.025 -0.404 18.471) 18.476 16.828 ( -8.597 -3.644 6.313) 11.271 17.446 ( -2.856 -4.733 1.121) 5.640 18.014 ( -9.884 13.879 -0.988) 17.067 18.366 ( -4.998 -5.428 -0.924) 7.436 19.808 ( -4.015 -5.008 -6.010) 8.793 ======================= Grid point 141 (54/116) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -18.458 -11.499 19.758) 29.382 2.158 ( -23.907 -11.160 2.952) 26.548 2.784 ( -8.734 -3.815 1.075) 9.592 3.134 ( -6.700 -2.631 4.662) 8.576 3.212 ( -15.860 2.239 9.134) 18.438 3.554 ( -3.324 5.331 0.062) 6.282 5.481 ( 13.242 -2.112 3.108) 13.765 5.852 ( -31.363 -5.398 8.770) 33.010 6.689 ( 4.230 10.689 -14.467) 18.479 7.662 ( 13.171 5.977 -0.082) 14.465 8.116 ( 11.045 -4.568 10.793) 16.104 8.281 ( 10.674 7.448 0.804) 13.040 8.579 ( -6.866 -3.690 1.686) 7.975 8.886 ( 8.993 6.511 -7.656) 13.486 9.968 ( 1.973 -4.195 -8.148) 9.374 10.023 ( 6.208 -2.355 -9.120) 11.281 10.568 ( 6.881 4.597 9.718) 12.764 10.916 ( 5.805 -3.692 3.499) 7.718 11.285 ( -2.484 -2.453 -6.674) 7.531 11.561 ( -1.312 4.598 -1.138) 4.915 11.802 ( -5.486 -0.752 11.409) 12.682 11.958 ( -4.791 2.762 15.463) 16.422 12.073 ( -8.521 -3.317 -3.606) 9.829 12.493 ( 10.310 -0.196 0.444) 10.321 12.940 ( 3.845 11.200 4.219) 12.570 13.566 ( 6.458 -0.697 -7.259) 9.741 14.285 ( 1.967 -4.018 -28.059) 28.414 14.398 ( -7.455 -0.509 1.732) 7.671 14.775 ( -5.264 -1.027 -16.232) 17.095 14.939 ( 3.114 -7.754 9.603) 12.729 15.014 ( -0.996 -1.534 -13.770) 13.891 15.557 ( 5.374 -2.983 -6.942) 9.272 15.688 ( 6.434 -2.291 7.370) 10.048 15.851 ( 6.930 5.146 11.207) 14.147 15.988 ( 5.760 1.502 10.190) 11.801 16.262 ( -5.204 -3.620 -6.684) 9.212 16.545 ( -12.727 1.651 -0.360) 12.839 17.092 ( 4.102 -1.792 19.867) 20.365 17.385 ( -3.333 -3.762 0.062) 5.026 17.981 ( -12.174 12.515 2.314) 17.612 18.266 ( -6.310 -4.754 1.502) 8.042 19.610 ( -1.830 -4.270 -11.617) 12.511 ======================= Grid point 142 (55/116) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -25.017 -22.001 9.320) 34.595 1.999 ( -14.154 -3.959 21.791) 26.284 2.745 ( -2.931 -0.284 3.375) 4.479 3.054 ( -0.220 -11.069 -1.864) 11.227 3.265 ( -17.747 10.872 19.869) 28.774 3.570 ( -4.479 7.613 1.376) 8.939 5.569 ( -20.474 -2.750 10.870) 23.344 5.712 ( 9.931 -6.656 2.526) 12.219 6.687 ( 6.446 20.541 -10.213) 23.829 7.845 ( 9.362 1.430 0.277) 9.475 8.180 ( -10.006 -13.063 6.540) 17.707 8.399 ( 10.097 -7.972 6.345) 14.344 8.631 ( 12.456 11.126 -7.134) 18.161 8.977 ( 4.880 8.655 -1.294) 10.019 9.781 ( -6.526 -5.701 -7.604) 11.529 9.995 ( 11.352 8.020 -12.565) 18.737 10.738 ( 2.535 -2.808 2.590) 4.585 10.971 ( 2.317 -5.561 1.519) 6.213 11.186 ( -1.272 -1.932 -0.532) 2.374 11.537 ( -0.663 0.652 -0.848) 1.259 11.836 ( -8.385 0.470 10.407) 13.373 11.922 ( -6.313 -3.285 -1.114) 7.203 12.294 ( 2.957 7.307 23.751) 25.025 12.644 ( 10.559 0.376 2.020) 10.757 13.129 ( 4.053 11.072 3.941) 12.431 13.498 ( 0.986 -2.022 -7.443) 7.776 13.895 ( 4.076 -2.294 -29.276) 29.647 14.297 ( -6.179 -1.472 -14.639) 15.957 14.408 ( -6.576 1.867 -13.679) 15.292 14.775 ( -2.679 -12.354 -8.685) 15.337 15.096 ( 1.346 -3.662 9.972) 10.708 15.460 ( 2.982 -2.130 -10.356) 10.986 15.707 ( -2.598 -1.115 -8.601) 9.054 16.090 ( -1.570 0.566 1.353) 2.148 16.141 ( 6.220 3.987 7.646) 10.633 16.281 ( 7.454 -0.893 15.471) 17.196 16.465 ( -7.613 4.446 3.188) 9.375 17.190 ( -5.158 -11.586 2.217) 12.875 17.456 ( 3.721 3.789 9.779) 11.128 17.959 ( -12.988 11.280 4.170) 17.701 18.185 ( -7.344 -4.566 2.659) 9.048 19.459 ( 5.475 -2.972 -7.260) 9.567 ======================= Grid point 147 (56/116) ======================= q-point: ( 0.40 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -0.000 -5.140 -2.555) 5.740 2.792 ( 0.000 5.768 7.384) 9.369 3.248 ( 0.000 1.132 1.193) 1.645 3.248 ( 0.000 7.968 3.571) 8.732 3.594 ( 0.000 6.063 1.195) 6.180 3.757 ( -0.000 -6.115 -2.116) 6.470 5.082 ( -0.000 -15.238 -5.401) 16.167 6.537 ( 0.000 12.443 10.832) 16.498 6.675 ( 0.000 11.412 9.353) 14.755 7.647 ( 0.000 -1.547 -11.453) 11.557 7.759 ( 0.000 -2.278 -25.894) 25.994 7.960 ( -0.000 -7.274 -1.658) 7.460 8.931 ( 0.000 5.609 -6.288) 8.426 9.194 ( -0.000 -28.426 -1.454) 28.463 9.296 ( -0.000 -2.217 11.918) 12.122 9.763 ( -0.000 -4.234 6.002) 7.345 10.225 ( 0.000 6.475 -4.487) 7.878 10.770 ( -0.000 -11.776 -6.339) 13.374 11.086 ( 0.000 16.068 1.876) 16.178 11.727 ( -0.000 -5.466 -3.549) 6.517 11.848 ( 0.000 0.256 -0.857) 0.894 12.210 ( 0.000 12.024 -11.049) 16.330 12.225 ( 0.000 3.875 3.971) 5.549 12.494 ( 0.000 0.416 -1.964) 2.008 12.823 ( -0.000 -2.375 2.984) 3.813 13.004 ( 0.000 4.909 -2.444) 5.484 14.434 ( -0.000 2.812 23.880) 24.045 14.615 ( -0.000 -1.487 1.421) 2.057 14.629 ( -0.000 2.321 7.357) 7.715 14.875 ( 0.000 3.779 0.624) 3.830 15.020 ( 0.000 5.696 4.221) 7.090 15.038 ( 0.000 6.324 5.356) 8.288 15.591 ( -0.000 -0.678 37.692) 37.698 15.656 ( 0.000 -6.155 -20.877) 21.765 15.972 ( 0.000 -1.963 -11.271) 11.440 16.370 ( 0.000 2.310 -16.727) 16.886 16.598 ( -0.000 -7.557 -6.398) 9.902 17.165 ( -0.000 -4.247 3.624) 5.583 17.669 ( -0.000 -2.940 -0.486) 2.980 18.061 ( 0.000 13.482 -3.090) 13.832 18.493 ( 0.000 0.848 0.874) 1.218 20.029 ( -0.000 -9.664 7.638) 12.318 ======================= Grid point 149 (57/116) ======================= q-point: (-0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -1.687 -4.590 1.070) 5.006 2.841 ( -11.400 3.738 5.538) 13.214 3.257 ( -1.958 0.393 1.719) 2.635 3.341 ( 2.612 4.112 0.652) 4.914 3.620 ( -9.000 -2.478 -3.416) 9.940 3.654 ( 0.934 3.219 -0.488) 3.387 4.985 ( 5.437 -11.150 0.200) 12.406 6.718 ( -5.113 9.511 8.500) 13.742 6.925 ( 4.908 7.389 7.900) 11.879 7.429 ( 2.740 2.307 -19.375) 19.704 7.523 ( 0.732 2.155 -8.192) 8.502 7.817 ( -11.483 -2.612 -2.262) 11.991 8.858 ( 6.939 -10.329 -12.590) 17.702 9.031 ( -6.630 -6.773 7.539) 12.111 9.450 ( 7.292 -6.604 8.573) 13.049 9.839 ( 5.376 -6.813 4.647) 9.844 10.237 ( 1.306 8.002 -2.031) 8.359 10.653 ( 2.685 -9.344 -2.556) 10.052 11.214 ( 0.502 14.119 1.358) 14.193 11.662 ( 0.115 -6.102 -0.852) 6.162 11.833 ( -1.376 1.703 -2.820) 3.570 12.115 ( -7.624 9.494 -0.562) 12.189 12.298 ( 0.345 -0.712 -0.157) 0.807 12.510 ( 6.045 5.708 -2.519) 8.687 12.755 ( -9.187 -0.589 -1.995) 9.420 13.104 ( 11.958 3.034 -0.517) 12.348 14.571 ( -4.203 -1.223 5.289) 6.865 14.646 ( 1.430 -3.352 4.702) 5.949 14.886 ( -1.014 1.753 19.401) 19.506 14.968 ( 4.892 -0.211 2.898) 5.690 15.070 ( -4.166 3.645 4.439) 7.096 15.186 ( 4.060 4.434 3.485) 6.949 15.331 ( 2.855 -4.181 -16.547) 17.304 15.797 ( -7.476 1.266 -6.503) 9.989 16.022 ( 7.044 1.351 -10.925) 13.069 16.154 ( 1.437 1.566 13.750) 13.913 16.515 ( -0.085 -8.527 -0.128) 8.529 17.146 ( -3.535 -5.791 1.953) 7.061 17.622 ( -3.784 -2.297 -0.340) 4.440 18.116 ( -0.964 14.508 -2.216) 14.708 18.487 ( -0.113 -1.387 -1.332) 1.926 20.020 ( -2.414 -8.258 1.912) 8.814 ======================= Grid point 150 (58/116) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -5.078 -3.989 5.749) 8.646 2.751 ( -16.193 -1.057 4.859) 16.939 3.251 ( -3.476 -1.164 1.834) 4.099 3.346 ( -3.463 -1.571 -5.885) 7.007 3.440 ( -10.420 1.599 2.652) 10.870 3.670 ( -0.197 2.147 -1.776) 2.793 5.049 ( 9.250 -5.460 3.671) 11.352 6.724 ( -10.387 4.902 -2.200) 11.694 6.905 ( -6.606 -8.299 -5.894) 12.134 7.450 ( 0.834 6.005 -1.022) 6.148 7.527 ( 7.995 13.066 4.774) 16.045 7.717 ( 0.564 5.899 -0.197) 5.929 8.687 ( 6.047 -5.542 -11.929) 14.477 9.032 ( -8.260 -5.763 6.771) 12.136 9.641 ( 14.252 -7.360 7.148) 17.561 9.893 ( 5.215 -6.750 0.275) 8.534 10.314 ( 2.302 9.293 1.515) 9.693 10.639 ( 5.701 -6.741 1.746) 9.000 11.316 ( 1.692 10.640 -2.432) 11.045 11.616 ( -1.783 -5.295 2.219) 6.011 11.781 ( -2.779 4.469 -1.736) 5.541 12.138 ( -6.209 1.341 7.094) 9.523 12.254 ( -1.898 -1.239 -1.093) 2.516 12.574 ( -4.836 1.053 -7.281) 8.804 12.640 ( 3.186 7.703 1.370) 8.448 13.252 ( 12.882 2.324 -2.827) 13.392 14.571 ( -5.594 -3.145 5.393) 8.383 14.706 ( 0.486 -6.200 -15.206) 16.428 14.735 ( 0.176 -5.276 -3.297) 6.224 15.075 ( -5.389 -1.634 5.389) 7.794 15.135 ( 6.783 0.194 3.602) 7.683 15.320 ( 3.238 0.302 4.038) 5.184 15.420 ( 3.803 4.256 13.057) 14.250 15.542 ( 0.732 1.912 -19.874) 19.979 15.874 ( 2.156 2.338 -7.009) 7.697 16.434 ( 0.816 -6.034 -2.946) 6.764 16.571 ( 2.021 0.145 26.441) 26.518 17.061 ( -7.954 -4.950 1.359) 9.467 17.552 ( -5.153 -1.949 0.619) 5.544 18.168 ( -2.806 14.709 -1.665) 15.066 18.438 ( -1.954 -3.784 -1.272) 4.445 19.906 ( -3.637 -7.148 -5.570) 9.765 ======================= Grid point 151 (59/116) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -10.122 -3.502 10.903) 15.284 2.594 ( -15.765 -8.507 4.467) 18.462 3.090 ( -15.072 -4.761 -4.620) 16.467 3.216 ( -3.388 -4.417 -0.675) 5.607 3.467 ( -3.355 5.859 5.434) 8.666 3.641 ( -2.999 2.748 -1.091) 4.211 5.201 ( 9.926 -2.189 4.703) 11.199 6.554 ( -15.051 3.599 -3.197) 15.802 6.641 ( -9.318 -6.933 -7.240) 13.686 7.480 ( 1.253 5.454 1.456) 5.782 7.857 ( 8.571 2.371 11.081) 14.208 7.895 ( 14.927 17.892 1.971) 23.384 8.636 ( 10.672 6.031 -10.164) 15.924 8.914 ( -14.103 -9.652 3.940) 17.538 9.815 ( 11.703 -7.605 0.660) 13.973 9.876 ( 4.034 -5.786 -4.137) 8.178 10.464 ( 2.744 7.567 7.694) 11.135 10.743 ( 8.206 -2.674 4.899) 9.924 11.287 ( 0.514 1.515 -8.674) 8.821 11.636 ( -3.583 3.224 3.637) 6.038 11.831 ( 1.659 1.964 8.150) 8.546 12.103 ( -5.971 -2.827 1.574) 6.791 12.265 ( -4.953 -2.305 6.962) 8.850 12.411 ( -5.393 1.909 -3.989) 6.974 12.801 ( 7.685 10.124 1.772) 12.833 13.356 ( 10.710 1.989 -4.542) 11.803 14.254 ( 0.398 -5.920 -30.493) 31.065 14.564 ( -6.386 -2.620 4.598) 8.293 14.820 ( 1.949 -2.461 -3.249) 4.518 14.931 ( -2.679 -3.674 -12.294) 13.107 15.064 ( -3.774 -4.826 -2.665) 6.681 15.400 ( 7.815 -4.681 -6.501) 11.192 15.507 ( 7.596 -4.571 13.663) 16.287 15.723 ( 4.345 5.919 12.764) 14.725 15.906 ( 0.913 4.642 5.504) 7.258 16.328 ( -0.364 -3.025 -7.548) 8.140 16.820 ( -8.273 -1.997 4.943) 9.842 17.035 ( -0.677 -0.355 15.701) 15.720 17.495 ( -5.372 -2.388 1.964) 6.198 18.205 ( -5.290 14.287 -0.330) 15.239 18.365 ( -3.353 -5.574 0.274) 6.511 19.688 ( -4.118 -6.197 -12.367) 14.432 ======================= Grid point 152 (60/116) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -16.837 -10.469 13.856) 24.188 2.358 ( -15.518 -10.565 3.333) 19.067 2.865 ( -8.999 -2.861 -1.664) 9.589 3.104 ( -4.139 -9.297 -2.053) 10.382 3.569 ( -4.389 9.459 8.118) 13.215 3.633 ( -2.633 5.284 0.979) 5.984 5.359 ( 9.769 -3.093 3.239) 10.747 6.290 ( -27.635 -8.202 7.398) 29.761 6.527 ( 6.685 14.608 -12.140) 20.136 7.588 ( 6.565 2.716 2.174) 7.430 8.079 ( 10.855 -2.662 7.172) 13.280 8.249 ( 12.747 18.635 3.368) 22.828 8.636 ( -8.405 -12.917 -0.423) 15.416 8.794 ( 4.613 12.596 -2.972) 13.739 9.807 ( 2.355 -2.933 -6.214) 7.264 9.826 ( 5.145 -5.250 -5.956) 9.461 10.664 ( 2.973 2.320 9.399) 10.127 10.876 ( 5.358 -3.463 3.675) 7.363 11.182 ( 1.284 -1.307 -6.181) 6.447 11.602 ( -5.265 1.940 -3.050) 6.387 11.984 ( -2.352 -1.308 8.845) 9.246 12.096 ( -2.397 -1.651 2.359) 3.747 12.242 ( -3.089 5.031 7.359) 9.435 12.474 ( 1.795 -0.030 13.231) 13.353 12.992 ( 7.443 9.847 2.127) 12.526 13.417 ( 6.231 2.598 -3.302) 7.515 13.824 ( 1.822 -3.894 -28.597) 28.919 14.364 ( -0.453 2.148 -35.271) 35.340 14.574 ( -7.288 -2.678 1.586) 7.925 14.880 ( -5.318 -16.188 -1.005) 17.068 15.049 ( 1.608 -3.999 10.955) 11.772 15.366 ( 5.143 -4.204 -5.470) 8.605 15.695 ( 3.858 -5.163 5.428) 8.426 15.954 ( 4.502 6.508 7.348) 10.799 16.113 ( 5.897 1.341 14.517) 15.726 16.196 ( -1.692 1.024 -7.217) 7.483 16.680 ( -10.759 1.681 -2.609) 11.198 17.272 ( 0.315 -5.059 13.562) 14.478 17.446 ( -4.369 0.283 2.822) 5.209 18.230 ( -8.581 11.383 2.829) 14.533 18.299 ( -2.645 -4.951 0.947) 5.692 19.420 ( -1.974 -4.829 -13.979) 14.921 ======================= Grid point 153 (61/116) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -20.563 -20.452 6.185) 29.654 2.379 ( -8.861 -1.568 14.989) 17.483 2.772 ( -1.845 -1.861 -1.326) 2.937 2.965 ( -2.098 -11.677 -1.157) 11.920 3.661 ( -3.645 6.222 2.436) 7.612 3.703 ( -4.383 10.323 8.074) 13.819 5.463 ( 10.277 -5.682 -1.237) 11.808 6.045 ( -23.930 -5.145 8.888) 26.041 6.634 ( 8.848 21.338 -5.176) 23.673 7.703 ( 10.704 -2.383 -0.870) 11.000 8.282 ( 10.232 -0.674 3.828) 10.945 8.365 ( -16.500 -16.346 6.059) 24.003 8.528 ( 10.063 14.742 -2.437) 18.015 8.954 ( 7.350 8.957 -0.755) 11.611 9.712 ( -2.285 -4.758 -4.153) 6.716 9.787 ( 7.370 7.867 -8.750) 13.884 10.747 ( -3.860 -3.102 0.743) 5.007 10.902 ( 3.484 -10.161 1.601) 10.861 11.158 ( 2.411 1.412 -1.497) 3.170 11.530 ( -0.153 2.595 -1.703) 3.108 11.989 ( -8.990 -8.777 2.530) 12.816 12.061 ( -4.036 3.339 8.181) 9.715 12.451 ( 9.508 10.335 0.228) 14.045 12.800 ( 0.824 0.237 31.204) 31.216 13.141 ( 5.862 4.969 0.024) 7.685 13.431 ( 0.152 3.939 -8.270) 9.162 13.500 ( 2.013 0.200 -15.766) 15.896 13.857 ( 1.292 0.587 -37.383) 37.410 14.505 ( -7.980 -4.681 3.061) 9.744 14.656 ( -5.836 -14.729 -3.514) 16.228 15.185 ( 1.146 -2.840 7.995) 8.561 15.313 ( 1.448 -1.230 -5.538) 5.855 15.621 ( -6.092 -4.412 -8.017) 10.993 16.122 ( 3.196 3.732 2.098) 5.343 16.178 ( 3.511 6.752 1.768) 7.813 16.385 ( 5.809 -0.819 11.081) 12.538 16.582 ( -2.918 3.104 0.543) 4.295 17.228 ( -9.045 -12.349 2.349) 15.486 17.551 ( 3.008 3.572 5.733) 7.394 18.212 ( -7.489 -2.736 3.847) 8.853 18.269 ( -7.049 7.626 1.409) 10.480 19.262 ( 6.444 -3.891 -6.374) 9.864 ======================= Grid point 159 (62/116) ======================= q-point: (-0.50 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 0.000 -3.845 5.487) 6.700 2.978 ( 0.000 -1.134 2.840) 3.058 3.287 ( 0.000 -0.496 1.478) 1.559 3.338 ( 0.000 3.193 -2.294) 3.932 3.626 ( 0.000 -0.021 -3.459) 3.459 3.653 ( 0.000 4.138 -2.057) 4.621 4.921 ( 0.000 -8.369 5.842) 10.206 6.860 ( 0.000 -0.458 -18.012) 18.018 6.909 ( 0.000 1.874 7.199) 7.439 7.372 ( 0.000 17.889 6.907) 19.176 7.489 ( 0.000 6.456 -1.311) 6.588 7.865 ( -0.000 -3.764 -0.180) 3.769 8.574 ( 0.000 -5.316 -13.357) 14.377 9.137 ( 0.000 -6.385 9.805) 11.700 9.430 ( 0.000 -8.812 3.922) 9.646 9.838 ( 0.000 -7.293 5.679) 9.244 10.276 ( 0.000 10.195 0.078) 10.195 10.570 ( 0.000 -7.825 1.558) 7.978 11.298 ( 0.000 11.705 -2.259) 11.921 11.635 ( 0.000 -6.863 3.721) 7.807 11.807 ( 0.000 2.295 -3.581) 4.253 12.259 ( 0.000 9.828 4.704) 10.896 12.287 ( 0.000 -1.376 -1.262) 1.867 12.459 ( 0.000 4.939 -2.218) 5.414 12.792 ( 0.000 -1.328 -4.181) 4.387 13.025 ( -0.000 4.487 -1.051) 4.609 14.664 ( -0.000 -7.440 -2.912) 7.990 14.669 ( 0.000 -4.006 5.019) 6.422 14.763 ( 0.000 -4.453 -15.020) 15.666 15.010 ( 0.000 -1.685 5.934) 6.169 15.224 ( 0.000 -3.076 4.495) 5.447 15.226 ( -0.000 -0.911 5.978) 6.047 15.351 ( 0.000 8.368 17.109) 19.045 15.551 ( 0.000 1.816 -35.095) 35.142 15.851 ( 0.000 3.552 1.108) 3.721 16.413 ( 0.000 -7.217 -0.625) 7.244 16.548 ( 0.000 -0.224 25.023) 25.024 17.159 ( 0.000 -4.851 2.250) 5.347 17.628 ( 0.000 -1.234 -0.506) 1.333 18.186 ( 0.000 13.224 -2.422) 13.444 18.465 ( 0.000 -1.375 -0.579) 1.493 19.953 ( 0.000 -7.877 -5.471) 9.591 ======================= Grid point 161 (63/116) ======================= q-point: (-0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -1.524 -3.233 8.513) 9.233 2.918 ( -8.706 -6.475 0.808) 10.880 3.283 ( -2.135 -1.226 -2.037) 3.195 3.302 ( -1.497 -0.912 -2.205) 2.817 3.558 ( -4.941 3.597 -1.371) 6.263 3.649 ( 1.154 2.563 -2.990) 4.104 5.022 ( 4.449 -3.086 9.632) 11.049 6.577 ( 0.176 2.466 -20.438) 20.586 6.940 ( -3.309 -11.167 3.167) 12.069 7.555 ( -2.748 8.300 4.223) 9.710 7.668 ( 4.009 21.638 7.769) 23.337 7.809 ( -4.949 -0.962 4.787) 6.952 8.435 ( 5.372 6.291 -11.710) 14.338 9.174 ( -7.794 -6.894 6.017) 12.020 9.482 ( 12.595 -10.659 3.074) 16.784 9.856 ( -0.656 -7.500 3.943) 8.498 10.397 ( 2.525 11.694 4.937) 12.942 10.589 ( 3.480 -5.516 4.955) 8.191 11.289 ( -0.387 5.346 -7.484) 9.206 11.685 ( -0.685 -2.955 8.891) 9.394 11.796 ( 0.736 3.077 -0.268) 3.175 12.211 ( -2.640 -2.646 -4.792) 6.077 12.371 ( -5.370 4.992 9.670) 12.135 12.538 ( 3.200 4.838 0.849) 5.862 12.673 ( -2.747 1.629 -4.169) 5.251 13.104 ( 8.673 4.325 -1.758) 9.850 14.256 ( -0.268 -7.026 -30.720) 31.514 14.674 ( -1.884 -2.784 -1.981) 3.902 14.804 ( -1.441 -6.194 9.419) 11.365 14.970 ( -0.397 0.787 -19.320) 19.340 15.172 ( -2.453 -5.978 -0.250) 6.467 15.235 ( 2.551 -6.387 -2.447) 7.300 15.358 ( 5.105 -7.350 11.402) 14.494 15.637 ( 2.373 8.612 13.110) 15.864 15.919 ( -0.976 5.918 4.374) 7.424 16.309 ( 1.083 -3.852 -7.765) 8.735 16.886 ( 0.062 -0.636 21.216) 21.226 17.135 ( -4.199 -3.398 2.334) 5.885 17.600 ( -2.682 -0.407 0.240) 2.724 18.231 ( 0.895 10.152 -3.391) 10.740 18.450 ( -2.527 -1.536 1.779) 3.451 19.769 ( -2.073 -6.656 -11.919) 13.808 ======================= Grid point 162 (64/116) ======================= q-point: (-0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -2.761 -2.939 9.185) 10.031 2.728 ( -12.847 -13.422 0.438) 18.584 3.114 ( -8.277 -3.352 -8.358) 12.232 3.237 ( -6.175 -5.006 0.125) 7.951 3.568 ( 0.635 5.720 1.448) 5.935 3.649 ( 2.086 3.705 -2.018) 4.706 5.204 ( 3.610 0.121 9.804) 10.449 6.387 ( 4.721 8.718 -15.901) 18.738 6.766 ( -10.137 -19.082 -0.119) 21.608 7.604 ( -6.515 7.017 4.047) 10.395 7.862 ( 6.958 4.755 3.336) 9.063 8.016 ( 4.680 17.723 9.695) 20.736 8.483 ( 8.059 18.970 -5.936) 21.448 9.026 ( -11.786 -11.413 -0.056) 16.407 9.600 ( 12.825 -10.085 0.324) 16.318 9.820 ( -2.672 -5.845 0.638) 6.458 10.605 ( 2.003 4.234 11.075) 12.025 10.716 ( 7.362 2.188 5.652) 9.536 11.181 ( -1.362 0.290 -8.089) 8.208 11.735 ( -4.943 1.769 0.331) 5.260 11.899 ( 5.216 -0.428 8.215) 9.740 12.111 ( -0.439 -0.134 -2.644) 2.683 12.444 ( -9.174 -1.954 -0.615) 9.400 12.511 ( -3.631 1.960 14.430) 15.009 12.797 ( 8.213 8.121 4.369) 12.349 13.222 ( 8.999 5.054 -0.933) 10.363 13.803 ( 0.191 -4.920 -28.532) 28.954 14.356 ( 0.710 2.961 -38.809) 38.929 14.748 ( -7.139 -5.550 4.420) 10.065 14.948 ( 0.180 -11.250 10.346) 15.285 15.091 ( -4.906 -9.095 2.702) 10.681 15.230 ( 5.320 -6.184 -0.779) 8.194 15.552 ( 6.997 -10.977 13.250) 18.574 15.877 ( 2.912 8.371 8.335) 12.166 16.034 ( 0.586 6.513 7.478) 9.934 16.190 ( 1.503 1.305 -9.864) 10.063 16.949 ( -10.767 -1.724 -0.846) 10.937 17.224 ( 2.642 -1.150 13.470) 13.775 17.570 ( -4.135 -0.810 1.531) 4.483 18.258 ( 2.229 6.583 -3.421) 7.746 18.426 ( -5.032 -2.774 3.193) 6.574 19.507 ( -4.053 -3.913 -14.717) 15.759 ======================= Grid point 163 (65/116) ======================= q-point: (-0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -13.449 -20.464 -1.418) 24.528 2.544 ( -6.198 -3.391 8.817) 11.299 2.882 ( -6.669 -3.073 -7.335) 10.379 3.092 ( -8.186 -8.825 -1.015) 12.080 3.647 ( 2.997 3.957 0.589) 4.998 3.715 ( 3.777 7.878 0.915) 8.785 5.338 ( 0.448 -0.318 5.439) 5.466 6.394 ( 8.731 12.726 -6.757) 16.848 6.498 ( -9.518 -14.540 -1.870) 17.478 7.615 ( -3.848 1.464 2.414) 4.772 8.059 ( 8.383 6.956 5.664) 12.278 8.303 ( 7.058 18.483 2.321) 19.920 8.662 ( 1.483 8.248 2.311) 8.694 8.789 ( -5.100 -3.450 -5.098) 7.993 9.652 ( 7.208 -6.834 -0.624) 9.952 9.745 ( -2.669 -2.972 -1.816) 4.388 10.766 ( 2.489 -4.056 8.059) 9.359 10.870 ( -0.642 1.904 3.686) 4.198 11.093 ( 2.005 1.695 -3.493) 4.370 11.611 ( -5.859 -1.042 -5.874) 8.361 12.064 ( 4.574 -1.427 6.116) 7.769 12.145 ( 0.313 1.311 2.453) 2.799 12.320 ( -3.997 2.749 -1.878) 5.202 12.796 ( -0.353 0.572 28.598) 28.606 13.006 ( 5.253 6.046 6.350) 10.222 13.356 ( 6.502 7.104 -2.230) 9.886 13.446 ( 1.558 -1.960 -17.499) 17.677 13.827 ( 0.945 2.304 -41.054) 41.129 14.681 ( -6.417 -6.361 2.959) 9.507 14.827 ( -8.322 -19.393 -0.382) 21.106 15.151 ( 1.270 -3.746 10.159) 10.902 15.245 ( 3.733 -3.706 -0.014) 5.261 15.663 ( 2.695 -11.430 3.682) 12.307 16.032 ( 2.147 7.896 2.627) 8.594 16.129 ( 2.610 7.007 -5.278) 9.152 16.243 ( 5.385 2.113 12.037) 13.355 16.752 ( -10.744 1.361 -6.862) 12.821 17.374 ( -0.687 -7.945 7.004) 10.613 17.536 ( -3.201 2.074 1.575) 4.126 18.285 ( 1.928 0.888 -0.731) 2.245 18.380 ( -3.532 -1.753 0.721) 4.009 19.257 ( -4.700 -0.456 -10.385) 11.408 ======================= Grid point 164 (66/116) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -13.200 -22.864 0.000) 26.401 2.547 ( -1.953 -3.383 0.000) 3.906 2.752 ( -1.700 -2.944 0.000) 3.399 2.928 ( -5.869 -10.165 -0.000) 11.737 3.705 ( 1.946 3.370 0.000) 3.891 3.832 ( 4.268 7.393 0.000) 8.537 5.366 ( -0.352 -0.610 0.000) 0.704 6.248 ( -8.038 -13.923 0.000) 16.076 6.625 ( 11.517 19.948 0.000) 23.034 7.605 ( -0.635 -1.100 0.000) 1.270 8.237 ( 2.613 4.526 0.000) 5.226 8.479 ( -8.994 -15.578 0.000) 17.988 8.503 ( 8.303 14.381 -0.000) 16.606 8.923 ( 6.606 11.441 -0.000) 13.211 9.675 ( -0.667 -1.156 0.000) 1.335 9.709 ( 2.900 5.022 -0.000) 5.799 10.803 ( -5.672 -9.825 -0.000) 11.345 10.815 ( -1.202 -2.082 0.000) 2.405 11.134 ( 1.903 3.296 0.000) 3.806 11.530 ( 1.085 1.878 -0.000) 2.169 12.037 ( -6.972 -12.076 0.000) 13.945 12.162 ( 1.640 2.840 0.000) 3.280 12.421 ( 6.647 11.513 -0.000) 13.294 13.102 ( 1.619 2.805 0.000) 3.238 13.285 ( 1.626 2.817 0.000) 3.253 13.287 ( 0.615 1.065 0.000) 1.229 13.300 ( 0.713 1.235 -0.000) 1.426 13.512 ( 3.069 5.315 -0.000) 6.137 14.576 ( -9.888 -17.126 -0.000) 19.775 14.599 ( -3.370 -5.837 0.000) 6.740 15.240 ( -0.497 -0.860 -0.000) 0.994 15.249 ( 0.233 0.403 0.000) 0.465 15.585 ( -4.726 -8.186 0.000) 9.452 16.128 ( 3.125 5.413 -0.000) 6.251 16.195 ( 4.151 7.189 -0.000) 8.301 16.424 ( 1.046 1.811 -0.000) 2.092 16.609 ( 0.882 1.527 0.000) 1.764 17.263 ( -8.197 -14.197 0.000) 16.394 17.585 ( 2.197 3.806 -0.000) 4.395 18.242 ( -3.913 -6.777 0.000) 7.826 18.398 ( 2.770 4.799 0.000) 5.541 19.146 ( -0.271 -0.469 0.000) 0.542 ======================= Grid point 172 (67/116) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -0.000 -3.934 8.460) 9.330 2.891 ( -0.000 -10.949 -2.664) 11.268 3.203 ( 0.000 -2.635 -8.287) 8.696 3.317 ( -0.000 -1.971 1.790) 2.662 3.584 ( 0.000 5.513 -2.898) 6.228 3.600 ( 0.000 0.487 -3.879) 3.910 5.166 ( -0.000 1.736 14.807) 14.909 6.326 ( 0.000 5.545 -18.432) 19.249 6.850 ( -0.000 -22.105 -2.324) 22.227 7.707 ( 0.000 9.956 5.890) 11.568 7.764 ( 0.000 9.717 -4.709) 10.798 8.013 ( 0.000 10.807 14.027) 17.707 8.385 ( 0.000 22.968 -5.700) 23.665 9.280 ( -0.000 -15.153 -3.191) 15.486 9.302 ( -0.000 -5.109 5.832) 7.753 9.870 ( -0.000 -9.907 4.962) 11.080 10.571 ( 0.000 12.820 10.500) 16.571 10.615 ( -0.000 -3.391 6.477) 7.311 11.207 ( 0.000 1.771 -8.212) 8.401 11.807 ( -0.000 -2.692 9.239) 9.623 11.828 ( 0.000 4.663 2.318) 5.207 12.109 ( 0.000 -2.523 -7.966) 8.356 12.579 ( -0.000 -1.885 -1.795) 2.603 12.605 ( -0.000 2.594 11.066) 11.366 12.647 ( 0.000 6.695 7.793) 10.274 13.084 ( 0.000 6.442 0.706) 6.481 13.803 ( 0.000 -5.396 -28.679) 29.182 14.345 ( 0.000 2.869 -38.806) 38.912 14.867 ( -0.000 -6.109 2.699) 6.679 14.930 ( -0.000 -8.646 11.961) 14.759 15.108 ( -0.000 -6.366 1.342) 6.506 15.223 ( -0.000 -10.930 2.852) 11.296 15.436 ( -0.000 -15.292 16.007) 22.137 15.835 ( 0.000 10.567 8.146) 13.342 16.040 ( 0.000 8.413 4.865) 9.718 16.163 ( 0.000 0.637 -10.190) 10.210 17.137 ( -0.000 -1.342 15.340) 15.398 17.146 ( -0.000 -3.256 -1.319) 3.513 17.616 ( 0.000 1.230 -0.144) 1.239 18.223 ( 0.000 5.469 -3.857) 6.692 18.487 ( -0.000 -3.593 2.440) 4.343 19.562 ( 0.000 -2.964 -14.214) 14.520 ======================= Grid point 173 (68/116) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -0.824 -9.773 2.117) 10.033 2.743 ( -5.853 -10.876 -0.008) 12.351 3.014 ( -3.267 -5.611 -11.911) 13.566 3.284 ( -6.076 -4.381 0.629) 7.517 3.564 ( 3.124 0.782 -2.829) 4.287 3.600 ( 3.785 4.953 -3.342) 7.073 5.395 ( -3.258 4.913 15.238) 16.339 6.187 ( 6.124 10.873 -13.483) 18.372 6.597 ( -0.478 -28.415 -7.476) 29.386 7.739 ( -3.053 8.325 -2.884) 9.324 7.897 ( 4.448 12.809 5.710) 14.713 8.254 ( -2.025 14.692 9.300) 17.506 8.545 ( 2.847 27.647 -1.144) 27.817 9.025 ( -9.320 -16.730 -5.194) 19.842 9.417 ( 10.469 -5.273 2.869) 12.068 9.839 ( -3.402 -10.225 3.585) 11.356 10.699 ( 2.241 -5.315 8.057) 9.909 10.846 ( 1.624 14.168 11.997) 18.636 11.097 ( -1.178 0.222 -7.089) 7.190 11.768 ( -6.446 -3.684 -5.746) 9.388 11.937 ( 4.282 1.717 4.312) 6.314 12.069 ( 3.779 1.790 0.239) 4.188 12.472 ( -4.916 -1.621 -3.280) 6.128 12.813 ( -1.164 0.326 21.196) 21.230 12.899 ( 3.562 5.446 14.073) 15.505 13.194 ( 4.850 7.813 2.743) 9.596 13.429 ( 0.254 -2.581 -19.909) 20.077 13.812 ( 0.330 2.954 -40.870) 40.978 14.797 ( -3.057 -9.205 -1.943) 9.892 14.989 ( -3.224 -15.285 6.714) 17.004 15.137 ( 0.276 -4.816 8.385) 9.674 15.189 ( -0.471 -7.299 5.104) 8.919 15.551 ( 4.751 -18.740 11.573) 22.532 15.994 ( 1.141 11.119 2.578) 11.471 16.065 ( 2.004 5.661 -7.477) 9.590 16.174 ( 0.715 7.857 6.284) 10.086 17.009 ( -8.666 -2.014 -6.828) 11.215 17.315 ( 3.756 -3.234 8.017) 9.425 17.616 ( -1.868 1.707 -0.355) 2.555 18.206 ( 2.565 2.641 -4.900) 6.129 18.444 ( -1.480 -10.144 -0.447) 10.262 19.374 ( -3.358 3.476 -9.509) 10.667 ======================= Grid point 174 (69/116) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -6.382 -23.380 -5.661) 24.887 2.616 ( -5.635 -7.176 -5.769) 10.795 2.804 ( -1.405 -3.688 -4.546) 6.020 3.137 ( -10.286 -7.273 -0.610) 12.612 3.601 ( 6.459 0.916 -1.721) 6.747 3.652 ( 8.793 3.854 -5.019) 10.833 5.502 ( -10.251 5.152 6.859) 13.367 6.291 ( 2.782 -26.870 -9.904) 28.772 6.302 ( 14.123 16.273 -1.591) 21.605 7.721 ( -4.783 7.730 -0.943) 9.138 8.151 ( 4.941 14.931 7.733) 17.526 8.396 ( -1.596 14.280 -0.291) 14.372 8.699 ( -8.794 -20.623 -5.759) 23.147 8.765 ( 5.147 22.097 -0.589) 22.697 9.572 ( 7.891 1.206 6.401) 10.232 9.763 ( -4.822 -8.459 2.731) 10.113 10.776 ( 0.657 -5.484 4.095) 6.876 10.984 ( -3.845 0.873 -0.275) 3.953 11.097 ( 0.093 8.174 5.082) 9.626 11.569 ( -3.965 -3.278 -6.525) 8.309 12.034 ( 5.315 -1.491 -0.684) 5.563 12.128 ( 4.087 -1.607 -1.261) 4.569 12.376 ( -5.594 4.000 -0.626) 6.906 13.081 ( 2.799 3.353 0.062) 4.368 13.181 ( 4.652 3.174 15.777) 16.752 13.243 ( 2.088 1.874 9.206) 9.624 13.299 ( -0.158 1.977 -33.551) 33.610 13.455 ( 1.159 6.101 15.569) 16.762 14.647 ( -1.277 -10.680 -5.369) 12.022 14.840 ( -10.344 -17.215 3.330) 20.358 15.235 ( 0.095 -3.019 5.680) 6.433 15.244 ( 0.067 -1.986 6.295) 6.601 15.585 ( 3.635 -14.663 4.719) 15.827 16.069 ( 2.899 3.212 0.608) 4.370 16.108 ( 1.922 12.862 -2.701) 13.283 16.335 ( 4.138 4.045 6.100) 8.408 16.757 ( -9.688 0.338 -11.698) 15.193 17.373 ( -0.172 -9.667 1.835) 9.841 17.579 ( -2.217 3.281 -2.835) 4.870 18.198 ( 9.060 -0.699 -6.364) 11.094 18.331 ( -2.118 -10.442 -1.352) 10.740 19.276 ( -6.899 6.187 -1.141) 9.336 ======================= Grid point 183 (70/116) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -0.000 -19.606 -6.753) 20.737 2.757 ( -0.000 -4.119 3.078) 5.142 2.783 ( -0.000 -10.264 -16.196) 19.174 3.321 ( -0.000 -4.031 1.435) 4.279 3.467 ( -0.000 -2.588 -4.519) 5.208 3.523 ( 0.000 1.750 -8.309) 8.491 5.720 ( 0.000 8.644 18.553) 20.468 6.036 ( 0.000 13.743 -12.982) 18.905 6.251 ( -0.000 -31.220 -11.254) 33.186 7.768 ( 0.000 11.936 -3.681) 12.491 8.070 ( 0.000 18.276 6.894) 19.533 8.470 ( 0.000 10.707 6.048) 12.297 8.679 ( 0.000 23.177 -4.355) 23.583 8.856 ( -0.000 -21.117 -7.201) 22.311 9.430 ( 0.000 4.061 9.526) 10.356 9.836 ( -0.000 -12.579 4.335) 13.305 10.766 ( -0.000 -3.687 7.955) 8.768 11.009 ( 0.000 0.588 -7.043) 7.067 11.113 ( 0.000 13.456 12.580) 18.421 11.650 ( -0.000 -6.907 -10.600) 12.652 11.941 ( 0.000 1.640 -1.102) 1.976 12.060 ( -0.000 -1.720 -0.480) 1.786 12.488 ( 0.000 2.375 -0.072) 2.376 12.983 ( 0.000 0.731 -1.735) 1.882 13.152 ( -0.000 3.844 18.492) 18.887 13.214 ( 0.000 3.688 3.280) 4.936 13.301 ( 0.000 2.356 -33.097) 33.181 13.445 ( -0.000 5.032 21.643) 22.220 14.661 ( -0.000 -12.141 -7.491) 14.265 14.982 ( -0.000 -15.175 3.356) 15.542 15.241 ( -0.000 -2.401 9.005) 9.319 15.251 ( -0.000 -4.752 8.838) 10.035 15.508 ( -0.000 -19.187 6.773) 20.348 16.026 ( 0.000 2.524 -0.197) 2.532 16.083 ( 0.000 13.910 -1.477) 13.988 16.289 ( 0.000 7.190 3.145) 7.848 16.906 ( 0.000 -2.503 -13.354) 13.586 17.345 ( -0.000 -4.494 4.139) 6.109 17.625 ( 0.000 3.629 -3.335) 4.929 18.068 ( -0.000 -5.633 -11.221) 12.555 18.360 ( -0.000 -10.646 -0.675) 10.668 19.368 ( 0.000 8.082 -1.454) 8.212 ======================= Grid point 184 (71/116) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -2.379 -26.107 -8.434) 27.539 2.412 ( -5.160 -13.296 -20.019) 24.580 2.771 ( 1.214 -2.738 0.066) 2.996 3.213 ( -10.459 -6.033 -0.194) 12.076 3.395 ( 8.481 -4.539 -14.527) 17.423 3.486 ( 9.609 -1.049 -2.732) 10.045 5.770 ( -11.622 2.211 -2.497) 12.091 5.898 ( -0.038 -18.632 -10.828) 21.550 6.255 ( 17.026 13.755 8.381) 23.438 7.810 ( -1.760 13.101 -1.621) 13.317 8.317 ( 2.688 17.598 5.817) 18.729 8.470 ( -2.903 -5.093 -6.204) 8.536 8.603 ( -10.990 -5.786 -2.194) 12.613 8.811 ( 7.192 14.056 -1.091) 15.827 9.685 ( 4.023 11.187 13.832) 18.239 9.797 ( -2.762 -12.110 5.482) 13.577 10.814 ( -4.209 -2.377 2.232) 5.324 10.957 ( 3.891 1.110 -1.767) 4.415 11.286 ( -8.380 5.599 3.128) 10.552 11.486 ( 2.631 -1.608 -3.593) 4.735 11.928 ( 2.958 -2.638 -3.445) 5.252 12.000 ( 3.048 -8.063 -5.908) 10.450 12.442 ( -2.644 6.759 -8.480) 11.162 12.842 ( -4.414 3.641 -21.664) 22.407 13.022 ( 8.649 7.888 -6.839) 13.557 13.364 ( 0.958 2.907 10.743) 11.170 13.519 ( -0.410 2.176 26.836) 26.927 13.867 ( -0.417 2.183 33.812) 33.885 14.473 ( 1.325 -11.789 -7.541) 14.057 14.882 ( -6.461 -13.518 3.216) 15.324 15.253 ( -2.426 -2.964 -4.005) 5.542 15.349 ( -1.263 -1.480 9.635) 9.829 15.559 ( 3.984 -10.057 12.306) 16.384 16.065 ( 1.646 -2.323 3.123) 4.226 16.145 ( 0.322 13.986 -4.316) 14.641 16.352 ( 2.795 4.543 -2.157) 5.753 16.646 ( -4.584 -1.814 -16.484) 17.205 17.337 ( -2.311 -8.830 1.157) 9.200 17.554 ( -2.215 4.485 -8.377) 9.757 17.919 ( 10.632 -7.626 -9.344) 16.078 18.281 ( -1.117 -8.213 -1.124) 8.365 19.412 ( -4.090 6.866 3.305) 8.648 ======================= Grid point 194 (72/116) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -0.000 -29.097 -9.127) 30.495 2.044 ( -0.000 -18.203 -22.976) 29.312 2.669 ( -0.000 -8.588 -11.466) 14.326 3.022 ( -0.000 -8.687 -18.012) 19.997 3.299 ( -0.000 -3.466 -4.364) 5.572 3.336 ( -0.000 -2.964 2.592) 3.937 5.437 ( -0.000 -27.682 -13.911) 30.980 5.963 ( 0.000 19.338 -9.451) 21.524 6.417 ( 0.000 9.244 19.022) 21.149 7.881 ( 0.000 6.472 -1.393) 6.621 8.291 ( -0.000 -11.738 -5.646) 13.025 8.486 ( 0.000 16.074 -0.616) 16.085 8.719 ( 0.000 14.937 -2.365) 15.123 8.828 ( 0.000 3.589 7.534) 8.345 9.811 ( -0.000 -13.577 7.273) 15.403 9.966 ( 0.000 14.645 15.879) 21.602 10.844 ( 0.000 4.615 -7.381) 8.705 10.934 ( -0.000 -2.233 6.949) 7.299 11.296 ( -0.000 -5.957 -7.484) 9.565 11.486 ( 0.000 4.282 2.353) 4.886 11.795 ( -0.000 -11.738 -9.275) 14.960 11.893 ( -0.000 -1.608 2.065) 2.617 12.222 ( 0.000 6.094 -24.333) 25.085 12.804 ( 0.000 4.130 -3.277) 5.272 12.941 ( 0.000 12.566 -3.776) 13.121 13.530 ( -0.000 1.800 11.059) 11.205 13.948 ( -0.000 2.571 31.324) 31.429 14.277 ( -0.000 -11.534 -6.834) 13.406 14.332 ( -0.000 -1.832 31.621) 31.674 14.903 ( -0.000 -7.192 5.585) 9.106 15.157 ( -0.000 -3.521 -7.768) 8.529 15.502 ( -0.000 1.008 11.714) 11.757 15.677 ( -0.000 -3.238 12.842) 13.244 16.079 ( -0.000 -7.892 4.704) 9.188 16.148 ( 0.000 12.297 -10.332) 16.062 16.297 ( 0.000 6.078 -5.823) 8.417 16.406 ( 0.000 -3.667 -18.107) 18.475 17.330 ( -0.000 -9.665 2.802) 10.063 17.458 ( 0.000 6.690 -13.924) 15.448 17.674 ( -0.000 -6.865 -5.979) 9.103 18.195 ( -0.000 -9.721 -3.574) 10.357 19.534 ( 0.000 4.691 4.882) 6.771 ======================= Grid point 229 (73/116) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -0.000 -0.000 18.481) 18.481 2.338 ( 0.000 0.000 18.481) 18.481 2.783 ( 0.000 -0.000 -5.327) 5.327 3.185 ( -0.000 0.000 2.715) 2.715 3.185 ( 0.000 0.000 2.715) 2.715 3.773 ( -0.000 0.000 12.695) 12.695 5.583 ( -0.000 0.000 18.441) 18.441 6.248 ( -0.000 -0.000 -13.957) 13.957 6.248 ( 0.000 -0.000 -13.957) 13.957 8.243 ( -0.000 0.000 34.557) 34.557 8.501 ( -0.000 0.000 -15.421) 15.421 8.501 ( 0.000 -0.000 -15.421) 15.421 8.687 ( 0.000 -0.000 -2.617) 2.617 8.687 ( 0.000 0.000 -2.617) 2.617 9.498 ( -0.000 0.000 9.773) 9.773 10.318 ( 0.000 -0.000 -8.714) 8.714 10.409 ( 0.000 0.000 -4.732) 4.732 10.409 ( 0.000 0.000 -4.732) 4.732 11.718 ( 0.000 -0.000 -12.183) 12.183 11.836 ( -0.000 -0.000 10.639) 10.639 11.836 ( -0.000 0.000 10.639) 10.639 12.199 ( -0.000 0.000 15.828) 15.828 12.389 ( -0.000 -0.000 -21.582) 21.582 12.389 ( 0.000 0.000 -21.583) 21.583 13.123 ( 0.000 -0.000 -16.336) 16.336 13.123 ( 0.000 -0.000 -16.336) 16.336 13.455 ( -0.000 0.000 8.691) 8.691 13.928 ( -0.000 0.000 41.049) 41.049 14.351 ( -0.000 0.000 11.518) 11.518 14.615 ( -0.000 -0.000 -3.357) 3.357 14.615 ( 0.000 -0.000 -3.357) 3.357 15.001 ( 0.000 -0.000 -10.531) 10.531 15.001 ( 0.000 -0.000 -10.531) 10.531 16.452 ( 0.000 -0.000 -14.338) 14.338 16.468 ( 0.000 -0.000 8.147) 8.147 16.468 ( 0.000 0.000 8.147) 8.147 16.897 ( -0.000 -0.000 -0.266) 0.266 16.897 ( 0.000 -0.000 -0.266) 0.266 17.910 ( -0.000 0.000 -2.219) 2.219 17.910 ( 0.000 0.000 -2.219) 2.219 17.990 ( -0.000 0.000 18.628) 18.628 20.001 ( -0.000 0.000 6.341) 6.341 ======================= Grid point 230 (74/116) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -9.760 -5.635 14.060) 18.019 2.639 ( -2.513 -1.451 -1.594) 3.311 2.777 ( 12.066 6.966 7.824) 15.979 3.124 ( -6.564 -3.790 3.893) 8.521 3.365 ( 10.031 5.792 2.532) 11.857 3.884 ( -2.515 -1.452 5.594) 6.303 5.823 ( -16.475 -9.512 -11.180) 22.065 5.861 ( 4.314 2.491 16.053) 16.808 6.321 ( 14.884 8.593 -7.612) 18.796 8.188 ( -4.907 -2.833 -16.667) 17.604 8.328 ( -3.767 -2.175 -12.146) 12.901 8.428 ( -7.366 -4.253 -12.801) 15.369 8.654 ( -2.636 -1.522 22.927) 23.129 8.881 ( 14.207 8.203 3.722) 16.822 9.602 ( -5.582 -3.223 9.180) 11.217 10.181 ( -7.492 -4.326 -3.493) 9.330 10.216 ( 0.902 0.521 -5.501) 5.599 10.536 ( 9.715 5.609 -3.546) 11.765 11.439 ( -8.936 -5.159 -12.158) 15.946 11.948 ( -2.307 -1.332 2.389) 3.578 11.980 ( 2.073 1.197 6.424) 6.856 12.048 ( -2.194 -1.267 -14.291) 14.514 12.221 ( 8.366 4.830 -18.999) 21.314 12.386 ( -0.986 -0.569 9.693) 9.760 12.959 ( 3.973 2.294 -7.309) 8.630 12.982 ( 3.862 2.230 -11.914) 12.722 13.651 ( 0.260 0.150 20.249) 20.252 14.470 ( -4.578 -2.643 5.040) 7.304 14.495 ( -0.292 -0.168 41.786) 41.787 14.556 ( 0.607 0.350 5.930) 5.971 14.705 ( 8.627 4.981 -2.132) 10.188 14.888 ( 1.422 0.821 -7.371) 7.552 14.905 ( 2.743 1.584 -5.135) 6.033 16.226 ( -1.198 -0.692 -15.814) 15.875 16.468 ( -4.922 -2.842 -8.128) 9.918 16.511 ( -1.577 -0.910 4.655) 4.998 16.906 ( 0.590 0.340 -5.666) 5.706 16.946 ( 2.872 1.658 9.710) 10.261 17.803 ( -4.921 -2.841 -2.619) 6.257 17.917 ( 2.992 1.727 -4.689) 5.824 18.248 ( 4.285 2.474 12.752) 13.678 20.047 ( -6.141 -3.545 8.028) 10.711 ======================= Grid point 231 (75/116) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -10.629 -6.137 10.213) 15.966 2.509 ( -4.357 -2.515 -5.543) 7.486 3.087 ( 8.953 5.169 8.620) 13.460 3.094 ( -5.361 -3.095 5.718) 8.427 3.539 ( 8.799 5.080 0.524) 10.173 3.823 ( -7.913 -4.568 -2.583) 9.495 5.472 ( -11.854 -6.844 -5.969) 14.933 6.129 ( 5.043 2.911 11.521) 12.909 6.526 ( 16.602 9.585 1.103) 19.202 7.904 ( -1.814 -1.047 -17.057) 17.185 7.998 ( -19.848 -11.459 -6.762) 23.895 8.169 ( 6.258 3.613 -24.511) 25.554 8.799 ( -5.934 -3.426 11.139) 13.078 9.188 ( 10.497 6.061 8.830) 14.996 9.515 ( -13.452 -7.767 2.234) 15.693 10.149 ( 1.666 0.962 4.833) 5.202 10.195 ( 3.731 2.154 -3.627) 5.632 10.618 ( 5.581 3.222 -2.104) 6.780 11.182 ( -3.543 -2.045 -9.024) 9.908 11.841 ( -5.733 -3.310 -3.854) 7.661 11.922 ( 2.927 1.690 -8.480) 9.128 11.965 ( 0.842 0.486 -10.173) 10.219 12.224 ( 5.279 3.048 1.573) 6.295 12.436 ( -4.138 -2.389 4.222) 6.376 12.898 ( 5.046 2.913 -11.546) 12.933 13.045 ( 9.895 5.713 1.834) 11.573 14.008 ( 1.755 1.013 28.443) 28.515 14.441 ( -4.125 -2.382 3.077) 5.670 14.649 ( -0.993 -0.574 6.061) 6.168 14.776 ( 1.687 0.974 -1.451) 2.429 14.892 ( 9.101 5.254 -2.371) 10.773 14.969 ( 6.638 3.832 2.865) 8.183 15.061 ( -0.149 -0.086 40.676) 40.677 15.992 ( -0.827 -0.478 -15.881) 15.909 16.198 ( -6.223 -3.593 -16.134) 17.662 16.536 ( 1.187 0.685 -1.315) 1.899 16.778 ( -3.261 -1.883 -8.905) 9.668 17.119 ( 0.407 0.235 8.895) 8.908 17.687 ( -5.654 -3.264 -1.705) 6.748 17.885 ( 2.528 1.460 -5.886) 6.571 18.448 ( 4.764 2.751 5.300) 7.639 20.041 ( -9.450 -5.456 9.565) 14.510 ======================= Grid point 232 (76/116) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -14.008 -8.087 8.560) 18.300 2.366 ( -5.973 -3.449 -3.234) 7.618 3.112 ( -3.337 -1.927 6.756) 7.778 3.239 ( -5.106 -2.948 6.832) 9.024 3.598 ( -5.078 -2.932 -8.962) 10.709 3.659 ( 3.785 2.185 -0.911) 4.465 5.299 ( -3.921 -2.264 -1.425) 4.747 6.316 ( -0.169 -0.098 8.625) 8.627 6.844 ( 15.091 8.713 6.245) 18.511 7.595 ( -15.650 -9.035 -7.671) 19.632 7.661 ( -0.323 -0.186 -15.715) 15.719 7.949 ( 9.824 5.672 -24.682) 27.164 8.788 ( -14.380 -8.302 11.019) 19.928 9.292 ( -1.011 -0.584 -7.891) 7.977 9.506 ( 4.622 2.669 13.490) 14.508 10.206 ( 4.723 2.727 -5.737) 7.915 10.279 ( 2.321 1.340 6.686) 7.203 10.672 ( 4.014 2.318 0.463) 4.658 11.104 ( 3.809 2.199 -3.297) 5.497 11.657 ( -7.271 -4.198 -6.398) 10.556 11.831 ( -0.458 -0.264 -8.719) 8.735 11.936 ( 5.358 3.094 -0.685) 6.225 12.324 ( 0.150 0.087 5.395) 5.398 12.396 ( -4.277 -2.469 0.746) 4.994 12.808 ( 5.310 3.066 -13.649) 14.963 13.264 ( 11.678 6.742 3.456) 13.920 14.428 ( -3.592 -2.074 3.655) 5.529 14.447 ( 2.546 1.470 29.003) 29.151 14.713 ( -1.760 -1.016 7.106) 7.391 14.783 ( -0.341 -0.197 2.961) 2.987 15.052 ( 10.309 5.952 2.106) 12.088 15.138 ( 7.168 4.138 3.789) 9.102 15.555 ( -3.171 -1.831 26.654) 26.904 15.767 ( -0.687 -0.396 -15.269) 15.289 15.907 ( -0.754 -0.436 -8.411) 8.456 16.463 ( 6.569 3.793 -20.847) 22.184 16.617 ( -8.742 -5.047 2.169) 10.325 17.163 ( -6.365 -3.675 3.943) 8.340 17.591 ( -5.085 -2.936 0.744) 5.919 17.843 ( 2.576 1.487 -6.152) 6.833 18.532 ( 1.690 0.976 -0.530) 2.022 20.016 ( -9.527 -5.500 8.565) 13.942 ======================= Grid point 233 (77/116) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -17.269 -9.970 10.040) 22.326 2.234 ( -9.724 -5.614 2.233) 11.448 3.108 ( -17.132 -9.891 4.511) 20.290 3.163 ( -1.942 -1.121 6.504) 6.880 3.423 ( -3.704 -2.138 -7.834) 8.925 3.666 ( -1.263 -0.729 -2.808) 3.164 5.293 ( 3.125 1.804 0.828) 3.702 6.299 ( -16.145 -9.321 6.391) 19.708 7.003 ( -2.066 -1.193 -4.706) 5.276 7.481 ( 11.888 6.863 1.663) 13.827 7.490 ( 2.929 1.691 -10.736) 11.257 7.871 ( 17.645 10.187 -16.065) 25.946 8.683 ( -14.708 -8.492 8.623) 19.047 9.174 ( -2.187 -1.263 -5.622) 6.163 9.818 ( 10.866 6.274 13.265) 18.259 10.172 ( 4.673 2.698 -9.655) 11.061 10.354 ( -1.092 -0.630 1.787) 2.187 10.784 ( 7.142 4.124 2.521) 8.624 11.181 ( 6.725 3.883 1.607) 7.930 11.473 ( -6.603 -3.812 -3.681) 8.467 11.719 ( -2.609 -1.506 -3.995) 5.003 12.008 ( -1.327 -0.766 3.882) 4.174 12.349 ( -5.488 -3.168 3.329) 7.158 12.365 ( 2.015 1.164 -0.479) 2.376 12.710 ( 6.365 3.675 -12.876) 14.826 13.475 ( 11.312 6.531 -0.117) 13.062 14.418 ( -4.706 -2.717 4.266) 6.909 14.751 ( -1.246 -0.719 9.837) 9.942 14.792 ( -2.090 -1.206 8.478) 8.815 14.965 ( 3.973 2.294 22.631) 23.091 15.171 ( 1.537 0.887 -16.335) 16.431 15.273 ( 8.848 5.108 8.130) 13.057 15.535 ( 0.604 0.349 0.055) 0.700 15.545 ( -0.386 -0.223 -16.222) 16.228 16.215 ( 4.394 2.537 29.698) 30.128 16.220 ( 5.520 3.187 -25.758) 26.535 16.528 ( -8.016 -4.628 2.425) 9.568 17.033 ( -11.727 -6.771 -1.345) 13.608 17.559 ( -3.300 -1.906 4.338) 5.774 17.786 ( 0.699 0.404 -6.615) 6.664 18.496 ( -2.845 -1.643 -2.770) 4.297 19.964 ( -7.813 -4.511 3.287) 9.601 ======================= Grid point 234 (78/116) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -18.694 -10.793 14.041) 25.751 2.132 ( -13.738 -7.932 10.351) 18.942 2.930 ( -11.639 -6.720 3.400) 13.863 3.187 ( -17.844 -10.302 -1.794) 20.683 3.222 ( -1.475 -0.851 5.800) 6.045 3.561 ( -4.196 -2.422 -4.601) 6.682 5.407 ( 8.273 4.777 2.465) 9.866 6.024 ( -27.428 -15.836 6.979) 32.431 6.805 ( -0.869 -0.501 -16.036) 16.067 7.492 ( 10.286 5.939 -4.061) 12.552 7.821 ( 18.576 10.725 6.806) 22.503 8.069 ( 23.146 13.363 -4.392) 27.085 8.569 ( -13.398 -7.736 6.764) 16.885 9.055 ( -1.617 -0.934 -7.412) 7.644 10.104 ( 6.104 3.524 -12.554) 14.397 10.194 ( 9.419 5.438 15.412) 18.864 10.288 ( -3.192 -1.843 -4.195) 5.584 10.926 ( 7.452 4.303 -0.314) 8.611 11.351 ( 9.599 5.542 3.261) 11.554 11.356 ( -5.950 -3.435 1.014) 6.945 11.654 ( -4.980 -2.875 5.003) 7.622 11.972 ( -9.597 -5.541 4.680) 12.030 12.233 ( -8.119 -4.687 -3.438) 9.985 12.473 ( 9.370 5.410 2.120) 11.025 12.681 ( 5.902 3.408 -5.889) 9.007 13.601 ( 9.129 5.271 -5.319) 11.807 14.390 ( -6.966 -4.022 5.056) 9.501 14.756 ( -2.275 -1.314 -20.503) 20.670 14.830 ( -2.358 -1.362 6.591) 7.132 14.960 ( 0.309 0.178 0.995) 1.057 15.211 ( 0.189 0.109 -11.444) 11.446 15.438 ( 6.261 3.615 10.798) 12.995 15.551 ( 6.854 3.957 13.921) 16.014 15.647 ( 4.533 2.617 4.896) 7.168 15.981 ( 5.338 3.082 -19.683) 20.625 16.427 ( -7.302 -4.216 1.176) 8.514 16.626 ( -2.618 -1.511 13.927) 14.251 16.824 ( -6.858 -3.959 6.282) 10.108 17.597 ( -2.345 -1.354 7.036) 7.539 17.675 ( -2.960 -1.709 -7.024) 7.812 18.389 ( -6.317 -3.647 -1.490) 7.445 19.844 ( -6.089 -3.515 -4.876) 8.556 ======================= Grid point 235 (79/116) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -17.897 -10.333 19.072) 28.122 2.053 ( -18.368 -10.605 11.698) 24.221 2.754 ( -15.151 -8.748 1.269) 17.541 2.968 ( -15.261 -8.811 14.382) 22.745 3.271 ( -1.835 -1.059 5.117) 5.539 3.435 ( -3.217 -1.857 -4.800) 6.069 5.625 ( 12.609 7.280 5.619) 15.606 5.690 ( -28.332 -16.358 10.251) 34.284 6.584 ( 3.787 2.186 -18.916) 19.415 7.677 ( 14.991 8.655 -0.131) 17.311 8.194 ( 17.224 9.944 5.312) 20.586 8.413 ( 21.240 12.263 1.130) 24.551 8.432 ( -15.545 -8.975 6.735) 19.172 8.926 ( 0.795 0.459 -10.074) 10.116 10.025 ( 8.370 4.833 -15.475) 18.245 10.081 ( -9.469 -5.467 -6.841) 12.897 10.580 ( 9.867 5.697 13.454) 17.630 10.989 ( 3.440 1.986 -3.262) 5.140 11.304 ( -5.782 -3.338 4.592) 8.103 11.469 ( 6.108 3.527 -5.123) 8.718 11.801 ( 1.158 0.669 20.362) 20.405 11.870 ( -11.706 -6.759 6.082) 14.823 12.049 ( -6.556 -3.785 -3.764) 8.454 12.691 ( 11.555 6.671 4.896) 14.213 12.721 ( 4.516 2.607 -0.543) 5.243 13.616 ( 5.476 3.162 -9.242) 11.198 14.331 ( -7.323 -4.228 -2.349) 8.776 14.366 ( -0.932 -0.538 -23.036) 23.061 14.740 ( -2.890 -1.668 -18.950) 19.242 15.022 ( -0.833 -0.481 -6.205) 6.280 15.057 ( -0.919 -0.531 9.781) 9.839 15.616 ( 2.191 1.265 -5.453) 6.011 15.748 ( 3.167 1.828 -0.475) 3.687 15.841 ( 7.977 4.605 12.177) 15.269 16.008 ( 8.664 5.002 10.969) 14.846 16.354 ( -5.779 -3.336 4.236) 7.904 16.377 ( -14.238 -8.220 -9.726) 19.102 17.133 ( 5.437 3.139 20.338) 21.285 17.509 ( -6.460 -3.730 -5.749) 9.418 17.656 ( -3.395 -1.960 7.367) 8.345 18.278 ( -7.694 -4.442 2.047) 9.117 19.653 ( -3.527 -2.037 -10.218) 11.000 ======================= Grid point 240 (80/116) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -0.000 -6.274 -0.475) 6.292 2.623 ( -0.000 -2.399 4.807) 5.372 2.876 ( 0.000 12.020 8.469) 14.704 3.214 ( -0.000 -2.376 3.528) 4.253 3.379 ( 0.000 7.226 3.172) 7.892 3.934 ( -0.000 -4.047 1.363) 4.270 5.686 ( -0.000 -20.311 -7.675) 21.713 6.092 ( -0.000 5.719 14.870) 15.932 6.227 ( 0.000 17.379 -2.796) 17.602 7.939 ( 0.000 -4.363 -18.804) 19.304 8.068 ( 0.000 4.545 -22.853) 23.301 8.338 ( -0.000 -16.004 -5.182) 16.822 8.759 ( 0.000 12.166 -4.628) 13.017 9.092 ( -0.000 -0.543 24.647) 24.653 9.772 ( -0.000 -4.190 11.205) 11.963 10.006 ( -0.000 -23.499 -2.880) 23.674 10.176 ( 0.000 2.028 -6.154) 6.479 10.564 ( 0.000 19.698 -0.558) 19.706 11.234 ( -0.000 -10.237 -14.241) 17.539 11.895 ( 0.000 -0.016 -8.754) 8.754 11.920 ( 0.000 -1.295 -10.436) 10.516 12.027 ( 0.000 7.940 -5.542) 9.682 12.044 ( 0.000 4.538 1.361) 4.738 12.508 ( -0.000 -1.274 5.551) 5.696 12.848 ( 0.000 -0.538 -1.765) 1.845 12.891 ( 0.000 5.544 -5.217) 7.613 13.987 ( -0.000 0.969 28.146) 28.163 14.556 ( -0.000 -1.288 2.220) 2.566 14.617 ( -0.000 -1.375 5.678) 5.842 14.716 ( 0.000 6.711 4.191) 7.913 14.834 ( 0.000 2.271 -0.550) 2.337 14.855 ( 0.000 2.875 -0.203) 2.883 15.066 ( -0.000 -0.261 40.611) 40.612 16.002 ( 0.000 -1.388 -15.981) 16.041 16.306 ( -0.000 -6.518 -16.184) 17.447 16.470 ( 0.000 3.535 -10.162) 10.759 16.867 ( -0.000 -7.174 -0.262) 7.179 17.074 ( 0.000 5.186 9.016) 10.401 17.775 ( -0.000 -3.256 -2.345) 4.012 17.857 ( 0.000 4.464 -4.910) 6.636 18.375 ( 0.000 2.797 6.735) 7.293 20.160 ( -0.000 -5.917 8.059) 9.998 ======================= Grid point 241 (81/116) ======================= q-point: (-0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -1.755 -4.607 -3.151) 5.851 2.646 ( -10.677 -0.213 8.385) 13.578 3.114 ( 9.325 8.891 5.001) 13.820 3.216 ( -4.356 -1.074 4.143) 6.107 3.497 ( 5.303 5.670 0.838) 7.809 3.844 ( -7.337 -6.424 -3.167) 10.254 5.431 ( -5.123 -17.141 -3.357) 18.203 6.293 ( -1.066 9.500 9.953) 13.801 6.469 ( 13.496 13.747 6.374) 20.291 7.666 ( -0.252 -0.627 -17.399) 17.413 7.769 ( 3.759 2.484 -27.578) 27.944 8.064 ( -16.859 -12.034 -4.050) 21.105 8.853 ( 9.530 7.214 -0.540) 11.965 9.330 ( -6.430 -5.254 13.823) 16.125 9.649 ( -12.494 -15.384 3.102) 20.059 10.033 ( 15.085 -14.096 6.463) 21.634 10.133 ( 1.725 3.146 -4.865) 6.045 10.693 ( -2.625 18.628 0.593) 18.821 11.009 ( 3.181 -6.531 -9.967) 12.333 11.804 ( 1.401 -1.434 -5.622) 5.969 11.838 ( 0.253 1.010 -2.476) 2.686 11.885 ( -8.619 7.534 -7.683) 13.787 12.184 ( 9.681 7.013 -0.734) 11.977 12.512 ( -3.359 -3.107 1.114) 4.709 12.787 ( -4.144 0.923 -4.093) 5.897 12.984 ( 10.835 5.126 0.973) 12.026 14.405 ( 0.808 0.755 29.117) 29.138 14.552 ( -6.000 -0.451 6.297) 8.709 14.700 ( 2.569 -4.288 5.443) 7.390 14.837 ( 4.376 5.463 5.008) 8.607 14.856 ( -2.928 3.555 4.479) 6.424 14.981 ( 6.033 4.902 5.506) 9.526 15.599 ( -0.721 -0.579 36.702) 36.714 15.772 ( 0.079 -4.111 -15.572) 16.105 15.986 ( -4.233 -2.040 -18.945) 19.519 16.308 ( 5.362 5.448 -22.844) 24.089 16.787 ( -4.486 -10.423 2.532) 11.627 17.214 ( 0.560 0.363 5.985) 6.022 17.708 ( -3.648 -2.709 -0.994) 4.652 17.827 ( -0.269 6.621 -4.934) 8.261 18.465 ( 2.504 2.501 1.327) 3.780 20.190 ( -4.179 -7.040 6.496) 10.451 ======================= Grid point 242 (82/116) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -3.542 -5.092 0.982) 6.280 2.606 ( -14.793 0.340 8.248) 16.940 3.226 ( -3.149 -0.726 4.698) 5.702 3.306 ( 5.573 3.954 2.388) 7.238 3.560 ( -4.665 -0.720 -3.884) 6.113 3.632 ( -4.266 -2.362 -2.719) 5.583 5.276 ( -1.020 -10.893 0.308) 10.945 6.477 ( -2.019 7.050 9.412) 11.932 6.835 ( 14.125 11.278 8.670) 20.047 7.434 ( 2.858 0.199 -21.566) 21.755 7.480 ( 1.856 3.496 -17.914) 18.346 7.729 ( -15.607 -6.032 -4.178) 17.246 9.021 ( 1.302 -0.398 8.504) 8.613 9.149 ( -8.738 -11.708 -7.432) 16.391 9.660 ( 1.449 -5.095 12.845) 13.894 10.092 ( 3.283 0.777 -7.095) 7.857 10.207 ( 10.983 -9.816 6.062) 15.929 10.736 ( -2.311 8.966 -2.348) 9.553 11.003 ( 7.635 4.571 -0.942) 8.949 11.683 ( -9.535 3.306 -5.967) 11.724 11.747 ( -0.242 -1.850 -1.841) 2.622 11.938 ( 3.886 4.694 4.865) 7.798 12.317 ( 6.390 3.048 -0.550) 7.101 12.448 ( -2.670 0.838 -1.874) 3.368 12.659 ( -4.941 0.365 -7.269) 8.797 13.173 ( 13.315 5.659 -1.084) 14.508 14.549 ( -5.996 -2.794 7.808) 10.234 14.749 ( 1.012 -4.326 10.417) 11.325 14.842 ( -0.338 0.918 20.392) 20.415 14.931 ( -2.619 4.463 9.992) 11.253 15.045 ( 8.216 1.675 6.895) 10.856 15.131 ( 3.420 4.647 0.324) 5.779 15.482 ( 2.141 -7.187 -17.066) 18.641 15.658 ( -7.224 3.684 -12.936) 15.268 16.063 ( 7.410 3.174 -22.437) 23.841 16.139 ( 2.086 1.727 28.357) 28.486 16.695 ( -5.028 -9.427 1.890) 10.850 17.225 ( -4.336 -5.461 1.269) 7.088 17.634 ( -3.820 -3.644 0.310) 5.289 17.813 ( -1.733 10.524 -3.862) 11.344 18.499 ( 1.624 0.834 -1.777) 2.548 20.142 ( -6.165 -7.212 2.399) 9.786 ======================= Grid point 243 (83/116) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -6.192 -7.623 6.631) 11.850 2.541 ( -16.432 0.437 9.603) 19.037 3.245 ( -4.909 -3.824 3.775) 7.278 3.305 ( -13.379 -3.997 -1.274) 14.022 3.363 ( -0.053 0.003 -0.782) 0.784 3.635 ( 0.449 1.144 -2.642) 2.914 5.261 ( 4.005 -4.876 2.515) 6.793 6.519 ( -11.130 0.163 2.559) 11.421 6.970 ( -10.325 -7.757 -4.416) 13.649 7.353 ( 8.469 7.974 -6.363) 13.258 7.367 ( 11.278 11.628 -5.071) 16.974 7.633 ( 8.255 6.872 -0.709) 10.764 8.842 ( -10.087 -8.854 -4.526) 14.164 9.123 ( -1.665 -6.938 4.259) 8.310 9.882 ( 9.610 -2.185 9.888) 13.961 10.035 ( 3.726 5.257 -6.523) 9.169 10.299 ( 4.616 -7.913 1.891) 9.354 10.763 ( 4.367 3.790 -1.021) 5.872 11.144 ( 7.514 7.699 0.485) 10.769 11.545 ( -8.548 2.666 -1.171) 9.030 11.735 ( -1.877 -2.178 4.662) 5.477 12.096 ( 0.957 0.650 8.677) 8.753 12.303 ( 0.315 -4.373 -1.967) 4.806 12.456 ( -8.213 2.292 -2.128) 8.788 12.520 ( 7.018 7.859 -7.863) 13.148 13.327 ( 13.177 5.664 -5.300) 15.290 14.560 ( -7.249 -3.734 8.362) 11.680 14.824 ( -2.803 -5.362 -23.134) 23.912 14.855 ( 0.730 -5.329 6.439) 8.390 14.996 ( -4.210 2.579 7.853) 9.276 15.175 ( 3.670 1.834 -1.254) 4.290 15.297 ( 5.268 4.430 4.923) 8.463 15.430 ( 2.889 0.743 9.507) 9.964 15.527 ( 4.883 2.953 -0.549) 5.732 15.865 ( 4.068 2.401 -15.644) 16.342 16.582 ( 0.700 -1.907 18.846) 18.955 16.585 ( -2.911 -5.265 7.551) 9.655 17.078 ( -10.231 -6.639 -3.059) 12.574 17.588 ( -0.880 -5.967 1.789) 6.291 17.816 ( -4.972 12.633 -1.576) 13.667 18.470 ( -1.094 -1.282 -2.236) 2.800 20.006 ( -6.752 -7.058 -4.067) 10.581 ======================= Grid point 244 (84/116) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -9.009 -11.057 12.656) 19.068 2.493 ( -16.226 -0.306 10.888) 19.543 3.038 ( -12.958 -6.351 -2.277) 14.609 3.277 ( -2.098 -4.388 3.192) 5.818 3.343 ( -6.470 0.018 4.738) 8.020 3.557 ( -5.653 -0.485 -3.149) 6.489 5.366 ( 8.601 -0.945 4.647) 9.821 6.328 ( -17.436 -2.918 -1.331) 17.729 6.647 ( -14.694 -8.238 -7.593) 18.478 7.395 ( 7.284 6.956 -0.848) 10.107 7.704 ( 21.935 17.863 -0.829) 28.300 7.925 ( 17.784 9.074 7.666) 21.386 8.660 ( -1.919 -1.780 -6.302) 6.824 9.032 ( -9.970 -12.384 3.254) 16.229 9.886 ( 3.022 2.291 -11.311) 11.930 10.181 ( 5.527 -8.526 -2.514) 10.467 10.356 ( 5.036 5.749 12.860) 14.960 10.852 ( 6.874 2.932 -0.123) 7.475 11.256 ( 7.702 3.580 -4.275) 9.509 11.488 ( -7.135 2.915 3.450) 8.444 11.834 ( -1.397 -1.167 15.263) 15.371 12.108 ( -7.561 -5.370 3.162) 9.798 12.238 ( -8.898 -2.098 -4.221) 10.069 12.398 ( 9.087 0.022 2.590) 9.449 12.637 ( 5.241 11.940 0.326) 13.044 13.413 ( 11.037 4.975 -8.489) 14.786 14.357 ( -0.643 -3.372 -32.191) 32.374 14.552 ( -8.567 -4.956 7.883) 12.653 14.801 ( -2.035 0.942 -26.096) 26.192 15.021 ( 1.313 -3.320 6.049) 7.024 15.090 ( -3.193 -1.246 7.555) 8.296 15.527 ( 5.564 1.115 1.928) 5.993 15.623 ( 7.757 -0.053 4.096) 8.772 15.713 ( 2.773 0.822 11.881) 12.228 15.825 ( 5.248 6.677 5.577) 10.160 16.460 ( -3.294 -9.354 -1.542) 10.036 16.739 ( -13.493 -3.383 -4.286) 14.556 17.034 ( 2.030 1.297 18.280) 18.438 17.554 ( -1.047 -7.216 0.390) 7.302 17.836 ( -7.474 11.586 3.518) 14.229 18.408 ( -3.490 -2.866 -0.254) 4.523 19.776 ( -6.334 -6.689 -10.654) 14.085 ======================= Grid point 245 (85/116) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -11.564 -9.665 14.020) 20.584 2.400 ( -18.536 -11.163 11.415) 24.464 2.846 ( -8.054 -4.271 -0.565) 9.134 3.268 ( -1.054 -6.972 4.099) 8.156 3.325 ( -11.158 -0.604 8.450) 14.010 3.477 ( -5.019 5.469 -0.011) 7.423 5.572 ( 13.668 -1.418 6.565) 15.229 6.083 ( -24.152 -5.068 6.585) 25.541 6.356 ( -5.519 2.011 -12.884) 14.159 7.581 ( 12.236 7.766 2.418) 14.693 8.064 ( 20.091 16.767 -1.867) 26.235 8.293 ( 16.888 1.220 7.933) 18.698 8.605 ( 0.117 7.420 -2.220) 7.746 8.837 ( -9.564 -13.676 -0.117) 16.689 9.772 ( 3.411 5.188 -13.974) 15.292 10.028 ( -5.205 -9.291 -6.219) 12.332 10.678 ( 8.141 2.348 12.342) 14.971 10.930 ( 3.230 3.888 -1.601) 5.303 11.273 ( 7.160 -3.107 -4.674) 9.098 11.485 ( -5.607 3.269 2.953) 7.131 11.965 ( -5.399 -3.704 1.895) 6.816 12.073 ( -10.495 0.414 2.202) 10.731 12.151 ( 2.220 -0.122 17.923) 18.060 12.579 ( 9.864 -3.692 8.204) 13.351 12.813 ( 3.959 13.756 4.471) 14.997 13.426 ( 7.051 3.801 -9.637) 12.532 13.904 ( 1.228 -1.567 -31.364) 31.427 14.335 ( 0.629 0.819 -35.597) 35.612 14.528 ( -10.354 -4.016 6.978) 13.116 15.050 ( -6.147 -6.518 2.642) 9.341 15.176 ( 0.840 -5.227 10.259) 11.545 15.482 ( 1.507 -2.921 -7.883) 8.541 15.712 ( -0.094 2.390 -1.856) 3.027 15.903 ( 8.459 6.168 6.276) 12.206 16.137 ( 7.027 3.036 11.705) 13.986 16.296 ( -6.650 -10.204 -4.614) 13.025 16.526 ( -8.460 0.806 3.231) 9.092 17.327 ( 4.523 2.592 13.906) 14.851 17.468 ( -4.511 -7.201 -0.313) 8.503 17.885 ( -9.075 7.853 7.506) 14.155 18.351 ( -4.778 -3.929 2.267) 6.589 19.513 ( -2.431 -4.703 -11.922) 13.044 ======================= Grid point 251 (86/116) ======================= q-point: ( 0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -0.000 -5.044 0.825) 5.111 2.839 ( -0.000 2.618 7.389) 7.839 3.161 ( 0.000 9.208 2.151) 9.456 3.277 ( -0.000 -1.274 2.656) 2.946 3.516 ( 0.000 6.007 0.008) 6.007 3.791 ( -0.000 -5.979 -5.343) 8.019 5.297 ( -0.000 -20.406 0.222) 20.408 6.559 ( 0.000 8.228 12.360) 14.849 6.562 ( 0.000 20.643 7.063) 21.818 7.368 ( 0.000 1.232 -28.904) 28.930 7.457 ( 0.000 3.540 -14.228) 14.661 8.072 ( -0.000 -11.408 -0.347) 11.413 8.795 ( 0.000 5.300 -1.999) 5.665 9.542 ( -0.000 -27.011 -3.760) 27.272 9.553 ( -0.000 -8.012 13.823) 15.977 9.957 ( -0.000 -7.936 8.422) 11.572 10.097 ( 0.000 4.649 -3.410) 5.766 10.805 ( -0.000 -6.093 -7.504) 9.666 10.870 ( 0.000 19.263 1.430) 19.316 11.740 ( -0.000 -1.616 -0.949) 1.874 11.825 ( 0.000 -0.023 -3.407) 3.407 11.924 ( 0.000 11.413 -2.411) 11.665 12.159 ( 0.000 9.413 0.246) 9.417 12.488 ( -0.000 -4.449 -2.757) 5.234 12.845 ( 0.000 0.553 -1.779) 1.863 12.898 ( 0.000 6.196 -2.410) 6.648 14.656 ( -0.000 -3.404 11.508) 12.001 14.719 ( -0.000 -5.152 6.470) 8.271 14.851 ( -0.000 2.795 24.549) 24.708 14.908 ( -0.000 1.475 8.545) 8.671 15.022 ( 0.000 4.421 5.258) 6.869 15.047 ( 0.000 5.391 7.290) 9.066 15.454 ( -0.000 -8.944 -22.341) 24.065 15.818 ( 0.000 2.696 -8.796) 9.200 15.906 ( 0.000 4.320 -26.916) 27.261 16.115 ( -0.000 1.248 28.782) 28.809 16.753 ( -0.000 -13.306 1.008) 13.344 17.270 ( -0.000 -2.274 2.846) 3.643 17.697 ( -0.000 -2.378 -1.187) 2.657 17.834 ( 0.000 11.239 -3.631) 11.811 18.470 ( 0.000 1.944 -0.566) 2.024 20.220 ( -0.000 -8.164 1.789) 8.358 ======================= Grid point 253 (87/116) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -1.547 -5.062 5.301) 7.491 2.880 ( -10.624 3.037 6.616) 12.879 3.273 ( 5.590 5.060 -0.403) 7.550 3.296 ( -1.177 -1.051 2.792) 3.207 3.555 ( 0.893 4.641 -1.872) 5.083 3.628 ( -6.223 -3.912 -5.742) 9.327 5.202 ( 1.203 -15.659 3.717) 16.139 6.697 ( -6.874 8.364 4.349) 11.667 6.899 ( 10.095 10.901 8.206) 16.973 7.051 ( 7.226 9.868 -20.600) 23.958 7.342 ( 0.785 7.735 -8.398) 11.444 7.885 ( -18.220 -8.876 1.687) 20.337 8.841 ( 10.767 -9.233 -6.603) 15.645 9.264 ( -12.156 -12.334 5.062) 18.042 9.707 ( 7.397 -10.998 9.193) 16.130 9.994 ( -0.973 -3.652 0.325) 3.794 10.137 ( 6.304 1.194 1.842) 6.676 10.707 ( 1.100 -2.668 -2.685) 3.942 11.017 ( 2.765 15.620 -0.791) 15.882 11.714 ( -4.507 -0.028 -1.820) 4.861 11.760 ( -0.451 -0.624 1.247) 1.466 12.042 ( 0.866 8.094 7.967) 11.390 12.271 ( 4.747 6.902 0.675) 8.404 12.403 ( -0.014 -0.955 -5.326) 5.411 12.700 ( -10.763 1.860 -4.767) 11.918 13.011 ( 12.685 5.591 -4.631) 14.615 14.725 ( -6.025 -4.857 9.577) 12.313 14.819 ( 1.889 -5.999 10.341) 12.103 14.874 ( -1.120 -6.674 -26.031) 26.896 15.055 ( 4.645 0.661 4.086) 6.221 15.134 ( -6.383 2.907 11.533) 13.498 15.208 ( 1.865 5.523 11.211) 12.636 15.323 ( 6.310 0.026 8.811) 10.838 15.491 ( -0.804 3.494 -26.785) 27.024 15.796 ( 1.584 2.448 -2.786) 4.033 16.537 ( 1.031 0.170 27.990) 28.009 16.648 ( -0.915 -12.617 -2.087) 12.821 17.246 ( -3.598 -4.669 0.025) 5.894 17.646 ( -2.664 -2.134 -1.079) 3.580 17.877 ( -0.543 14.174 -2.469) 14.398 18.474 ( 0.210 0.233 -0.324) 0.451 20.128 ( -2.885 -9.020 -4.123) 10.329 ======================= Grid point 254 (88/116) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -3.390 -5.375 9.060) 11.066 2.842 ( -13.071 0.468 7.173) 14.917 3.287 ( -2.584 -1.124 -5.042) 5.776 3.310 ( -1.404 -2.251 2.708) 3.791 3.441 ( -6.238 0.232 -0.790) 6.292 3.597 ( 1.956 3.417 -3.095) 5.008 5.218 ( 4.054 -8.850 6.067) 11.470 6.506 ( -4.448 1.654 -18.486) 19.086 7.040 ( -1.604 -4.214 6.852) 8.202 7.273 ( 11.827 23.192 1.081) 26.056 7.349 ( -2.427 8.382 -0.244) 8.730 7.708 ( -6.778 2.206 6.076) 9.367 8.653 ( 2.361 -15.875 -12.741) 20.492 9.239 ( -6.344 -7.703 8.413) 13.053 9.856 ( 7.369 -8.397 5.419) 12.417 9.940 ( 1.884 -0.308 -2.549) 3.185 10.268 ( 5.841 1.910 5.614) 8.324 10.717 ( 3.979 -0.338 0.952) 4.105 11.113 ( 3.912 11.203 -5.016) 12.883 11.646 ( -5.645 1.563 1.457) 6.035 11.830 ( 1.433 -2.901 9.337) 9.882 12.229 ( -1.430 0.018 6.970) 7.115 12.260 ( -0.307 -0.182 1.102) 1.159 12.429 ( 1.208 6.941 -2.975) 7.648 12.545 ( -4.661 5.965 -2.081) 7.850 13.123 ( 12.688 6.319 -6.987) 15.803 14.384 ( -1.391 -5.865 -33.044) 33.589 14.713 ( -3.789 -4.566 -3.918) 7.110 14.856 ( -3.821 -0.282 -14.167) 14.676 14.985 ( 1.366 -3.474 5.406) 6.570 15.199 ( -5.012 -0.559 8.868) 10.202 15.388 ( 5.899 -1.390 0.192) 6.064 15.443 ( 5.238 2.002 11.903) 13.158 15.599 ( 6.471 1.424 16.471) 17.754 15.804 ( -1.602 3.380 0.991) 3.869 16.499 ( -0.249 -12.407 -5.429) 13.545 16.889 ( -0.124 0.243 18.998) 19.000 17.126 ( -8.081 -2.749 -1.083) 8.604 17.598 ( -2.261 -2.228 0.864) 3.289 17.940 ( -1.372 14.334 -1.007) 14.435 18.468 ( -1.875 -2.038 1.837) 3.323 19.918 ( -4.820 -9.652 -10.233) 14.870 ======================= Grid point 255 (89/116) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -5.333 -5.865 11.377) 13.866 2.777 ( -12.808 -4.922 7.564) 15.668 3.090 ( -10.916 -5.233 -5.298) 13.213 3.295 ( -1.915 -5.259 1.619) 5.827 3.449 ( -0.368 4.465 2.392) 5.079 3.576 ( -1.568 2.861 -2.466) 4.090 5.331 ( 6.706 -4.756 7.239) 10.954 6.242 ( -0.537 6.901 -18.181) 19.454 6.899 ( -24.645 -15.983 8.508) 30.582 7.400 ( 2.932 9.957 1.712) 10.520 7.618 ( 14.794 22.673 2.397) 27.178 7.934 ( 11.269 9.129 8.976) 17.056 8.452 ( 7.439 -5.215 -12.507) 15.458 9.143 ( -11.333 -13.597 4.202) 18.193 9.797 ( -5.033 2.523 -5.440) 7.829 9.992 ( 8.325 -12.704 -1.499) 15.263 10.504 ( 6.677 6.472 12.933) 15.929 10.807 ( 5.858 2.357 1.718) 6.544 11.123 ( 4.459 4.937 -8.135) 10.509 11.633 ( -5.912 0.966 4.028) 7.218 12.000 ( 4.661 -2.059 10.412) 11.592 12.117 ( -2.978 -3.141 -3.692) 5.689 12.325 ( -9.559 1.326 -0.920) 9.695 12.459 ( 0.900 0.973 16.324) 16.377 12.688 ( 6.088 11.067 5.349) 13.717 13.210 ( 10.706 6.809 -7.155) 14.566 13.893 ( -0.246 -3.547 -31.660) 31.859 14.312 ( 1.085 2.179 -39.109) 39.185 14.760 ( -9.084 -5.193 7.712) 12.999 15.122 ( 1.323 -4.958 11.934) 12.990 15.220 ( -5.763 -7.864 6.484) 11.709 15.411 ( 3.912 -5.890 -2.248) 7.419 15.657 ( 4.284 4.005 7.024) 9.150 15.810 ( -0.073 3.282 3.530) 4.820 15.960 ( 7.384 4.507 14.417) 16.813 16.337 ( 1.304 -12.959 -5.067) 13.975 16.820 ( -13.788 -0.201 -6.470) 15.232 17.242 ( 2.700 1.848 14.025) 14.401 17.571 ( -3.584 -2.765 1.822) 4.880 18.016 ( -1.528 12.566 1.275) 12.722 18.454 ( -4.484 -4.260 4.823) 7.843 19.618 ( -5.347 -9.436 -14.017) 17.723 ======================= Grid point 256 (90/116) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -8.580 -6.023 8.310) 13.377 2.650 ( -14.545 -15.328 9.516) 23.175 2.878 ( -6.634 -4.163 -3.326) 8.509 3.231 ( -2.153 -9.841 0.362) 10.080 3.533 ( -0.790 7.925 4.484) 9.140 3.567 ( -2.031 5.456 0.589) 5.852 5.470 ( 8.692 -6.250 2.992) 11.116 6.138 ( 3.626 16.582 -9.504) 19.453 6.583 ( -27.610 -15.504 8.302) 32.736 7.567 ( 6.614 6.642 4.152) 10.252 7.958 ( 14.310 19.321 -1.097) 24.068 8.209 ( 12.382 -0.240 4.010) 13.018 8.477 ( 15.998 14.085 -6.571) 22.305 8.930 ( -14.118 -17.016 3.320) 22.358 9.674 ( -5.324 4.679 -6.560) 9.658 9.913 ( 0.327 -11.996 -3.754) 12.574 10.767 ( 3.078 1.296 9.018) 9.616 10.913 ( 4.700 4.235 1.141) 6.428 11.090 ( 6.246 1.589 -8.300) 10.508 11.594 ( -5.971 -4.048 2.449) 7.619 12.019 ( -2.734 2.736 0.262) 3.877 12.172 ( -0.426 5.060 -1.849) 5.404 12.271 ( 0.780 -6.461 8.257) 10.513 12.772 ( 0.869 1.538 26.984) 27.041 12.930 ( 4.827 8.485 10.493) 14.332 13.268 ( 6.262 6.998 -7.074) 11.757 13.486 ( 0.858 -0.340 -25.333) 25.350 13.806 ( 2.513 1.706 -38.368) 38.488 14.714 ( -9.176 -5.951 6.710) 12.831 15.093 ( -9.081 -14.495 0.507) 17.113 15.251 ( 0.839 -4.862 7.135) 8.675 15.350 ( 0.779 -4.122 -5.203) 6.684 15.750 ( -4.350 0.444 1.456) 4.608 15.915 ( 6.595 7.748 1.951) 10.360 16.098 ( 2.232 -1.331 -5.803) 6.358 16.339 ( 0.781 -1.350 7.217) 7.384 16.625 ( -3.628 -1.547 1.336) 4.164 17.441 ( 2.470 3.459 5.900) 7.271 17.514 ( -5.483 -5.495 3.037) 8.335 18.110 ( -2.271 9.945 4.055) 10.977 18.424 ( -6.482 -6.363 4.820) 10.282 19.334 ( -1.387 -6.869 -10.512) 12.634 ======================= Grid point 263 (91/116) ======================= q-point: (-0.50 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 0.000 -4.684 8.572) 9.768 3.038 ( 0.000 0.319 4.372) 4.384 3.253 ( 0.000 3.869 -2.190) 4.446 3.328 ( 0.000 -1.249 2.375) 2.683 3.554 ( 0.000 5.136 -2.440) 5.687 3.555 ( -0.000 -0.373 -7.197) 7.206 5.170 ( 0.000 -13.331 7.928) 15.510 6.575 ( 0.000 -1.870 -23.945) 24.018 6.958 ( 0.000 6.923 6.664) 9.609 7.134 ( 0.000 27.148 5.028) 27.609 7.348 ( 0.000 12.470 0.637) 12.486 7.997 ( -0.000 -10.628 5.875) 12.144 8.548 ( 0.000 -17.694 -12.111) 21.442 9.351 ( 0.000 -6.665 7.545) 10.067 9.660 ( 0.000 -13.810 5.365) 14.815 10.045 ( -0.000 -8.902 6.778) 11.189 10.124 ( 0.000 11.644 -0.777) 11.670 10.669 ( 0.000 -2.580 1.311) 2.894 11.069 ( 0.000 14.536 -5.086) 15.400 11.729 ( 0.000 1.796 -1.281) 2.206 11.797 ( 0.000 -4.729 8.138) 9.412 12.234 ( 0.000 9.049 11.633) 14.738 12.291 ( 0.000 -3.717 -3.815) 5.326 12.354 ( 0.000 8.752 2.549) 9.116 12.717 ( 0.000 0.505 -7.428) 7.445 12.891 ( 0.000 8.901 -4.741) 10.084 14.404 ( 0.000 -6.890 -33.475) 34.176 14.743 ( 0.000 -2.310 -18.103) 18.249 14.948 ( 0.000 -6.408 14.297) 15.668 14.957 ( -0.000 -0.014 -6.401) 6.401 15.230 ( 0.000 -1.258 -2.280) 2.604 15.342 ( -0.000 0.065 8.058) 8.058 15.410 ( -0.000 -0.951 16.235) 16.262 15.470 ( 0.000 4.560 13.669) 14.410 15.830 ( 0.000 2.002 2.516) 3.215 16.496 ( 0.000 -13.790 -6.388) 15.197 16.882 ( 0.000 0.549 22.138) 22.145 17.239 ( 0.000 -3.037 -1.049) 3.213 17.631 ( 0.000 -1.034 -1.661) 1.957 17.944 ( 0.000 15.417 -3.011) 15.708 18.493 ( 0.000 -1.488 3.738) 4.023 19.979 ( 0.000 -10.585 -10.066) 14.607 ======================= Grid point 265 (92/116) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -1.369 -4.586 9.842) 10.944 3.020 ( -6.818 -4.118 2.332) 8.300 3.226 ( -0.087 -1.143 -5.125) 5.252 3.343 ( -1.186 -1.937 1.984) 3.015 3.466 ( -2.001 4.427 -3.974) 6.277 3.558 ( 1.409 3.842 -3.024) 5.088 5.240 ( 1.481 -7.560 11.013) 13.440 6.253 ( -0.318 1.572 -21.203) 21.263 7.079 ( 3.414 1.782 2.954) 4.853 7.373 ( 2.108 23.917 -0.680) 24.020 7.513 ( -0.388 10.956 9.503) 14.508 7.933 ( -11.882 -2.499 8.177) 14.638 8.295 ( 6.869 -14.943 -13.836) 21.491 9.352 ( -7.157 -7.640 4.162) 11.266 9.692 ( 11.814 -14.016 2.028) 18.443 10.003 ( -8.640 -3.639 3.452) 9.991 10.319 ( 8.327 10.732 8.348) 15.944 10.707 ( 2.178 -1.066 3.842) 4.543 11.067 ( 0.733 10.655 -8.464) 13.628 11.737 ( -2.487 1.647 3.184) 4.363 11.903 ( 2.351 -4.068 8.983) 10.138 12.170 ( -0.987 -3.440 -7.501) 8.311 12.467 ( -1.302 5.710 16.263) 17.286 12.515 ( -2.473 4.787 6.193) 8.209 12.587 ( -1.052 4.077 -1.121) 4.358 12.960 ( 8.651 9.443 -4.516) 13.580 13.905 ( -0.455 -4.622 -32.249) 32.582 14.292 ( 0.497 2.697 -40.204) 40.298 14.943 ( -5.378 -5.274 6.516) 9.960 15.093 ( 0.556 -6.603 13.086) 14.668 15.248 ( 3.340 -4.499 1.985) 5.944 15.409 ( -3.065 -7.636 7.333) 11.022 15.605 ( -1.596 2.562 12.418) 12.780 15.737 ( 7.084 -0.877 14.381) 16.055 15.874 ( -0.347 6.859 2.240) 7.224 16.298 ( 1.213 -13.296 -9.287) 16.264 17.094 ( -7.636 -0.578 2.746) 8.135 17.197 ( 1.141 0.609 6.909) 7.029 17.610 ( 0.164 -0.354 -0.330) 0.511 18.007 ( 0.840 14.216 -3.214) 14.599 18.544 ( -2.299 -3.954 7.770) 9.016 19.720 ( -2.509 -11.249 -13.873) 18.036 ======================= Grid point 266 (93/116) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -2.483 -4.957 7.988) 9.724 2.915 ( -7.131 -9.015 2.008) 11.669 3.070 ( -6.599 -6.968 -7.204) 12.000 3.311 ( -3.969 -4.454 0.762) 6.015 3.487 ( 2.607 7.228 -0.134) 7.685 3.562 ( 1.861 3.533 -2.267) 4.591 5.370 ( 0.422 -4.017 10.016) 10.799 6.047 ( 3.559 8.347 -14.510) 17.114 7.053 ( -8.000 -18.116 1.864) 19.892 7.472 ( 1.594 16.160 -1.618) 16.319 7.740 ( 4.180 13.839 7.052) 16.084 8.028 ( 0.734 8.223 7.127) 10.906 8.163 ( 8.388 4.388 -9.440) 13.369 9.204 ( -9.597 -12.766 0.171) 15.972 9.744 ( 9.810 -11.522 -1.312) 15.189 9.905 ( -9.502 -3.439 1.782) 10.261 10.647 ( 8.042 9.790 12.487) 17.789 10.796 ( 3.263 0.584 3.837) 5.071 11.008 ( 0.924 6.786 -9.729) 11.898 11.742 ( -5.712 -2.525 2.162) 6.609 12.002 ( 3.700 -0.852 0.204) 3.802 12.082 ( 1.968 -0.091 0.493) 2.031 12.413 ( -6.577 -0.063 -2.978) 7.220 12.768 ( 0.032 3.029 24.523) 24.709 12.824 ( 3.457 6.187 15.623) 17.155 13.084 ( 8.161 9.590 -2.006) 12.752 13.475 ( 0.108 -1.366 -25.946) 25.982 13.762 ( 1.179 2.616 -40.357) 40.459 14.901 ( -6.443 -6.927 3.841) 10.210 15.226 ( 1.098 -5.756 10.128) 11.701 15.254 ( -1.045 -8.199 1.450) 8.392 15.357 ( -4.471 -12.072 2.950) 13.207 15.753 ( 1.144 4.686 6.286) 7.924 15.878 ( -1.078 3.420 3.395) 4.938 16.020 ( 2.939 2.655 -4.683) 6.134 16.193 ( 8.773 -10.508 9.658) 16.753 16.873 ( -13.087 1.451 -10.176) 16.641 17.371 ( 3.004 1.604 7.887) 8.590 17.607 ( -0.969 -1.392 0.439) 1.752 18.075 ( 2.629 11.729 -2.429) 12.263 18.572 ( -4.955 -7.118 7.115) 11.218 19.420 ( -4.204 -9.730 -11.708) 15.793 ======================= Grid point 267 (94/116) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -4.553 -7.885 0.000) 9.105 2.767 ( -10.410 -18.031 0.000) 20.821 2.866 ( -2.792 -4.835 -0.000) 5.583 3.211 ( -5.148 -8.916 -0.000) 10.296 3.597 ( 2.334 4.042 -0.000) 4.667 3.597 ( 5.103 8.838 0.000) 10.205 5.409 ( -1.693 -2.932 0.000) 3.385 6.107 ( 9.019 15.621 0.000) 18.037 6.773 ( -13.088 -22.669 0.000) 26.176 7.591 ( 3.375 5.845 -0.000) 6.749 7.948 ( 7.558 13.090 0.000) 15.115 8.130 ( 4.772 8.265 0.000) 9.544 8.371 ( 13.366 23.150 -0.000) 26.731 8.980 ( -10.026 -17.365 0.000) 20.052 9.733 ( -1.866 -3.232 0.000) 3.732 9.793 ( -3.996 -6.921 -0.000) 7.991 10.859 ( 0.006 0.010 0.000) 0.012 10.885 ( 1.798 3.115 -0.000) 3.597 10.976 ( 4.649 8.052 0.000) 9.298 11.632 ( -4.503 -7.799 -0.000) 9.005 12.053 ( 2.724 4.718 0.000) 5.448 12.166 ( 3.234 5.601 -0.000) 6.468 12.304 ( -3.734 -6.467 0.000) 7.467 13.042 ( 0.698 1.210 0.000) 1.397 13.125 ( 5.595 9.690 -0.000) 11.189 13.242 ( 1.540 2.667 0.000) 3.080 13.250 ( 1.113 1.928 -0.000) 2.226 13.347 ( 2.700 4.677 0.000) 5.400 14.805 ( -4.901 -8.488 0.000) 9.801 15.093 ( -10.352 -17.930 0.000) 20.704 15.282 ( -1.317 -2.281 -0.000) 2.634 15.287 ( -2.043 -3.539 0.000) 4.086 15.810 ( -4.166 -7.216 0.000) 8.332 15.913 ( 5.362 9.287 -0.000) 10.723 16.018 ( 2.796 4.842 -0.000) 5.591 16.383 ( 0.125 0.217 0.000) 0.250 16.647 ( -1.595 -2.763 0.000) 3.191 17.480 ( 2.058 3.564 0.000) 4.115 17.556 ( -3.575 -6.192 -0.000) 7.150 18.175 ( 5.154 8.926 0.000) 10.307 18.501 ( -5.393 -9.342 0.000) 10.787 19.228 ( -3.585 -6.209 0.000) 7.169 ======================= Grid point 276 (95/116) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -0.000 -5.211 7.704) 9.301 3.009 ( -0.000 -9.421 -1.680) 9.570 3.126 ( 0.000 -2.807 -8.053) 8.528 3.368 ( -0.000 -1.302 1.938) 2.334 3.467 ( 0.000 5.442 -2.180) 5.862 3.527 ( 0.000 2.369 -3.474) 4.205 5.384 ( -0.000 -2.871 15.610) 15.872 5.996 ( 0.000 4.119 -18.291) 18.749 7.079 ( -0.000 -7.261 0.916) 7.318 7.481 ( 0.000 19.343 -4.931) 19.962 7.676 ( -0.000 0.373 3.829) 3.847 8.013 ( 0.000 14.796 -10.189) 17.965 8.148 ( -0.000 -3.695 12.468) 13.004 9.421 ( -0.000 -4.443 2.149) 4.935 9.480 ( -0.000 -18.149 -2.426) 18.310 10.080 ( -0.000 -9.560 4.809) 10.702 10.496 ( 0.000 16.404 11.209) 19.867 10.760 ( -0.000 -0.113 6.552) 6.553 11.006 ( 0.000 8.909 -9.859) 13.288 11.824 ( 0.000 2.198 5.221) 5.664 11.948 ( -0.000 -5.284 -0.213) 5.288 12.053 ( -0.000 -2.148 -2.744) 3.485 12.509 ( 0.000 0.761 -6.943) 6.984 12.765 ( -0.000 5.109 19.706) 20.357 12.781 ( -0.000 3.852 18.482) 18.879 12.964 ( 0.000 10.943 3.885) 11.612 13.475 ( 0.000 -1.747 -26.614) 26.671 13.748 ( 0.000 2.992 -40.573) 40.683 14.990 ( -0.000 -6.963 0.558) 6.986 15.204 ( -0.000 -7.499 10.427) 12.843 15.240 ( -0.000 -5.184 5.620) 7.646 15.440 ( -0.000 -12.456 4.115) 13.118 15.773 ( 0.000 7.154 1.208) 7.256 15.875 ( -0.000 -4.843 18.209) 18.842 15.987 ( 0.000 9.079 6.378) 11.095 16.055 ( -0.000 -13.521 -10.559) 17.156 17.082 ( 0.000 1.077 -10.901) 10.954 17.309 ( -0.000 0.225 8.564) 8.567 17.595 ( 0.000 0.915 -1.095) 1.427 18.045 ( 0.000 11.653 -3.485) 12.163 18.633 ( -0.000 -7.573 6.935) 10.268 19.477 ( -0.000 -10.097 -11.215) 15.091 ======================= Grid point 277 (96/116) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -1.103 -8.099 -0.309) 8.179 2.910 ( -1.885 -10.330 1.308) 10.582 2.946 ( -2.466 -8.807 -10.743) 14.109 3.348 ( -4.952 -3.320 0.525) 5.984 3.488 ( 2.370 4.520 -1.707) 5.382 3.516 ( 3.796 1.331 -2.231) 4.599 5.548 ( -8.187 0.603 10.222) 13.111 5.881 ( 9.249 8.871 -7.123) 14.662 6.914 ( -1.098 -29.445 -5.853) 30.041 7.520 ( 1.453 14.712 -4.973) 15.598 7.734 ( 6.951 13.568 -2.689) 15.480 8.156 ( 3.086 25.134 -0.560) 25.329 8.263 ( -6.425 4.489 10.753) 13.306 9.208 ( -9.771 -16.495 -2.810) 19.377 9.534 ( 11.512 -7.148 2.070) 13.708 10.023 ( -7.722 -8.177 3.786) 11.868 10.754 ( 4.785 7.780 5.297) 10.558 10.899 ( -0.023 5.801 11.389) 12.781 10.919 ( 0.072 7.863 -10.246) 12.916 11.760 ( -5.344 -7.117 -6.510) 11.026 11.947 ( 4.869 1.122 2.064) 5.406 12.094 ( 1.674 -0.200 3.685) 4.052 12.415 ( -3.480 1.272 -4.838) 6.094 12.948 ( 5.339 6.463 -6.633) 10.690 13.069 ( -1.052 3.459 14.044) 14.502 13.168 ( 2.623 2.280 2.709) 4.407 13.253 ( -0.056 2.510 -27.744) 27.858 13.326 ( -0.026 5.901 20.641) 21.468 14.883 ( -1.655 -9.994 -4.752) 11.190 15.243 ( -1.999 -10.275 2.801) 10.836 15.298 ( -0.228 -3.255 5.486) 6.383 15.375 ( -4.090 -10.460 3.762) 11.845 15.817 ( 0.242 -1.434 -3.676) 3.953 15.848 ( 2.056 4.998 -7.124) 8.942 16.029 ( -4.236 -0.748 10.654) 11.489 16.215 ( 9.291 -2.570 11.555) 15.047 16.851 ( -8.694 1.889 -14.688) 17.172 17.410 ( 3.043 0.616 2.589) 4.042 17.586 ( 0.665 -0.304 -2.209) 2.327 18.069 ( 2.349 7.336 -4.310) 8.826 18.585 ( -1.775 -11.266 -2.783) 11.740 19.330 ( -3.077 -6.124 1.420) 6.999 ======================= Grid point 287 (97/116) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -0.000 -14.126 -7.095) 15.808 2.716 ( -0.000 -11.347 -14.857) 18.695 2.884 ( -0.000 -9.234 2.620) 9.599 3.386 ( -0.000 -1.640 0.177) 1.650 3.427 ( 0.000 -0.835 -4.479) 4.556 3.442 ( -0.000 -4.589 -3.142) 5.562 5.688 ( 0.000 10.479 -11.908) 15.862 5.894 ( -0.000 3.379 19.043) 19.340 6.565 ( -0.000 -35.259 -10.333) 36.742 7.528 ( 0.000 13.434 -4.773) 14.256 7.827 ( 0.000 24.917 1.396) 24.956 8.285 ( 0.000 24.356 -4.753) 24.816 8.463 ( 0.000 4.157 8.343) 9.322 9.071 ( -0.000 -21.807 -5.640) 22.524 9.538 ( -0.000 1.560 11.067) 11.176 10.060 ( -0.000 -10.379 4.598) 11.352 10.812 ( 0.000 8.018 -12.407) 14.772 10.834 ( 0.000 5.065 3.833) 6.352 11.127 ( 0.000 9.988 11.407) 15.162 11.609 ( -0.000 -7.415 -9.899) 12.369 11.965 ( -0.000 -2.994 3.874) 4.896 12.107 ( -0.000 -4.200 0.837) 4.283 12.371 ( 0.000 3.826 -10.384) 11.066 12.774 ( 0.000 6.049 -13.930) 15.187 12.822 ( 0.000 4.294 -22.716) 23.118 13.240 ( 0.000 8.413 7.827) 11.491 13.491 ( -0.000 0.791 29.102) 29.113 13.806 ( -0.000 3.497 36.884) 37.049 14.718 ( -0.000 -11.984 -8.358) 14.611 15.178 ( -0.000 -10.932 -2.763) 11.276 15.319 ( -0.000 -2.126 -2.485) 3.271 15.426 ( -0.000 -4.869 6.514) 8.133 15.681 ( -0.000 -3.110 -2.577) 4.039 15.877 ( 0.000 11.157 -2.694) 11.477 16.207 ( 0.000 6.739 -2.437) 7.166 16.234 ( -0.000 -13.716 16.099) 21.150 16.692 ( 0.000 0.339 -16.099) 16.102 17.403 ( 0.000 1.655 -2.180) 2.737 17.538 ( -0.000 -1.304 -3.332) 3.578 17.979 ( 0.000 -1.329 -9.318) 9.412 18.453 ( -0.000 -8.455 -5.147) 9.898 19.407 ( -0.000 -4.506 10.191) 11.143 ======================= Grid point 344 (98/116) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 0.000 -0.000 -4.134) 4.134 2.826 ( -0.000 -0.000 6.910) 6.910 2.826 ( 0.000 0.000 6.910) 6.910 3.328 ( 0.000 -0.000 3.134) 3.134 3.328 ( 0.000 -0.000 3.134) 3.134 3.959 ( 0.000 -0.000 -2.420) 2.420 5.918 ( -0.000 0.000 -1.455) 1.455 5.918 ( 0.000 0.000 -1.455) 1.455 6.251 ( -0.000 0.000 14.043) 14.043 7.693 ( 0.000 -0.000 -23.282) 23.282 7.693 ( 0.000 -0.000 -23.282) 23.282 8.503 ( 0.000 -0.000 -3.325) 3.325 8.503 ( 0.000 0.000 -3.325) 3.325 9.428 ( -0.000 0.000 21.689) 21.689 9.982 ( -0.000 0.000 12.576) 12.576 10.088 ( 0.000 -0.000 -3.662) 3.662 10.270 ( -0.000 0.000 -2.295) 2.295 10.270 ( 0.000 0.000 -2.295) 2.295 11.080 ( 0.000 -0.000 -16.500) 16.500 11.789 ( 0.000 -0.000 -5.337) 5.337 11.789 ( 0.000 -0.000 -5.337) 5.337 11.961 ( 0.000 -0.000 -3.836) 3.836 11.961 ( 0.000 0.000 -3.836) 3.836 12.600 ( -0.000 0.000 3.796) 3.796 12.819 ( -0.000 0.000 -1.526) 1.526 12.819 ( 0.000 0.000 -1.526) 1.526 14.392 ( -0.000 0.000 30.971) 30.971 14.660 ( 0.000 0.000 6.290) 6.290 14.660 ( 0.000 0.000 6.290) 6.290 14.796 ( -0.000 0.000 9.496) 9.496 14.846 ( -0.000 0.000 3.913) 3.913 14.846 ( 0.000 0.000 3.913) 3.913 15.608 ( -0.000 0.000 37.836) 37.836 15.817 ( 0.000 -0.000 -11.793) 11.793 16.125 ( 0.000 -0.000 -24.183) 24.183 16.125 ( 0.000 -0.000 -24.183) 24.183 17.059 ( 0.000 0.000 5.068) 5.068 17.059 ( 0.000 -0.000 5.068) 5.068 17.770 ( 0.000 -0.000 -3.002) 3.002 17.770 ( 0.000 -0.000 -3.002) 3.002 18.413 ( -0.000 0.000 2.194) 2.194 20.294 ( -0.000 0.000 5.436) 5.436 ======================= Grid point 345 (99/116) ======================= q-point: (-0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -2.086 -1.204 0.196) 2.417 2.788 ( -8.129 -4.693 6.848) 11.619 3.063 ( 11.196 6.464 3.943) 13.516 3.298 ( -3.788 -2.187 3.271) 5.462 3.441 ( 5.409 3.123 0.407) 6.259 3.855 ( -5.941 -3.430 -5.933) 9.070 5.621 ( -16.945 -9.783 0.705) 19.579 6.227 ( 16.598 9.583 4.408) 19.666 6.482 ( 6.995 4.038 12.053) 14.509 7.371 ( 1.284 0.742 -26.328) 26.370 7.404 ( 2.150 1.241 -19.089) 19.249 8.196 ( -20.295 -11.717 -0.612) 23.443 8.736 ( 16.216 9.363 1.552) 18.789 9.615 ( -12.315 -7.110 13.238) 19.428 9.872 ( -16.480 -9.515 3.355) 19.323 10.040 ( 1.161 0.670 -5.620) 5.778 10.254 ( 4.588 2.649 6.697) 8.539 10.465 ( 10.945 6.319 -1.093) 12.686 10.885 ( 2.747 1.586 -11.532) 11.960 11.754 ( 0.399 0.230 -1.067) 1.162 11.766 ( -2.102 -1.213 -2.574) 3.537 11.833 ( -0.864 -0.499 1.141) 1.515 12.053 ( 10.916 6.302 -2.840) 12.921 12.572 ( -5.229 -3.019 -0.765) 6.086 12.732 ( -3.924 -2.265 -4.283) 6.235 12.905 ( 10.164 5.868 -2.250) 11.950 14.693 ( -6.156 -3.554 10.571) 12.739 14.786 ( -0.063 -0.036 23.120) 23.121 14.860 ( 3.409 1.968 12.497) 13.102 14.884 ( -1.953 -1.128 8.542) 8.835 14.912 ( 2.048 1.183 8.833) 9.144 15.005 ( 5.307 3.064 5.603) 8.304 15.660 ( -3.577 -2.065 -10.130) 10.940 15.660 ( -5.277 -3.047 -27.599) 28.264 15.881 ( 8.589 4.959 -25.091) 26.980 16.103 ( 0.689 0.398 33.145) 33.154 16.952 ( -9.821 -5.670 2.208) 11.554 17.234 ( 5.476 3.161 2.189) 6.691 17.720 ( -1.729 -0.998 -1.369) 2.421 17.724 ( -0.313 -0.181 -4.235) 4.250 18.445 ( 1.904 1.099 0.220) 2.209 20.309 ( -3.947 -2.279 1.444) 4.781 ======================= Grid point 346 (100/116) ======================= q-point: (-0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -3.172 -1.831 5.104) 6.282 2.750 ( -9.163 -5.290 7.612) 13.034 3.259 ( 8.286 4.784 0.626) 9.588 3.300 ( -1.995 -1.152 3.511) 4.200 3.508 ( 3.605 2.081 -1.769) 4.523 3.635 ( -9.102 -5.255 -6.216) 12.211 5.422 ( -10.645 -6.146 2.660) 12.576 6.515 ( 6.169 3.561 7.207) 10.133 6.792 ( 16.064 9.275 4.361) 19.055 7.072 ( 5.789 3.342 -19.813) 20.910 7.240 ( 4.789 2.765 -12.875) 14.012 7.858 ( -22.948 -13.249 2.286) 26.596 9.022 ( 11.377 6.569 3.183) 13.518 9.333 ( -22.923 -13.235 2.037) 26.548 9.878 ( -2.990 -1.726 11.214) 11.733 9.952 ( 1.161 0.670 -9.889) 9.980 10.384 ( 1.300 0.750 4.031) 4.302 10.581 ( 6.615 3.819 -1.250) 7.740 10.892 ( 10.526 6.077 -4.469) 12.950 11.648 ( -6.124 -3.535 -0.277) 7.076 11.773 ( -0.587 -0.339 4.397) 4.449 11.977 ( 5.952 3.436 8.849) 11.205 12.202 ( 11.528 6.656 -1.814) 13.435 12.449 ( -5.718 -3.301 -3.675) 7.556 12.581 ( -5.381 -3.107 -6.747) 9.172 13.034 ( 12.503 7.218 -5.750) 15.540 14.736 ( -7.593 -4.384 10.330) 13.549 14.942 ( -2.505 -1.446 -18.358) 18.584 14.956 ( -2.019 -1.166 10.560) 10.814 14.998 ( -3.224 -1.861 6.849) 7.795 15.084 ( 4.199 2.425 3.385) 5.914 15.159 ( 4.442 2.564 11.096) 12.224 15.393 ( 5.121 2.957 -2.934) 6.601 15.410 ( 0.676 0.390 -11.323) 11.350 15.783 ( 2.554 1.474 -4.787) 5.622 16.538 ( 1.274 0.735 27.919) 27.958 16.817 ( -8.882 -5.128 -0.268) 10.260 17.256 ( -2.723 -1.572 -3.077) 4.399 17.663 ( 1.010 0.583 -4.768) 4.909 17.695 ( -0.922 -0.532 1.630) 1.947 18.472 ( 0.819 0.473 0.329) 1.002 20.209 ( -6.675 -3.854 -3.834) 8.609 ======================= Grid point 347 (101/116) ======================= q-point: (-0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -4.080 -2.355 9.119) 10.264 2.711 ( -10.360 -5.982 9.508) 15.281 3.281 ( -4.387 -2.533 -5.687) 7.615 3.328 ( -0.774 -0.447 3.751) 3.856 3.408 ( -5.190 -2.996 0.426) 6.008 3.572 ( 3.283 1.896 -3.392) 5.087 5.362 ( -3.393 -1.959 4.854) 6.238 6.446 ( -4.513 -2.606 -14.709) 15.605 7.081 ( 22.792 13.159 -2.330) 26.421 7.118 ( -6.297 -3.636 9.172) 11.704 7.205 ( 6.894 3.980 -5.547) 9.702 7.637 ( -4.159 -2.401 5.397) 7.224 8.867 ( -13.505 -7.797 -8.523) 17.771 9.312 ( -5.222 -3.015 11.055) 12.592 9.820 ( 1.468 0.848 -12.015) 12.134 10.054 ( 6.512 3.760 11.653) 13.868 10.399 ( -3.028 -1.748 1.197) 3.695 10.673 ( 7.321 4.227 -1.135) 8.529 11.021 ( 11.617 6.707 -4.288) 14.083 11.586 ( -5.755 -3.323 4.721) 8.152 11.871 ( -0.731 -0.422 11.892) 11.922 12.220 ( 4.740 2.737 12.729) 13.856 12.311 ( -3.429 -1.980 -4.589) 6.061 12.345 ( 5.732 3.309 -5.007) 8.299 12.402 ( -2.357 -1.361 -2.232) 3.520 13.136 ( 12.801 7.391 -8.610) 17.106 14.441 ( -3.822 -2.207 -33.717) 34.005 14.772 ( -9.096 -5.251 10.251) 14.676 14.790 ( 0.966 0.558 -35.075) 35.093 15.083 ( -1.605 -0.927 10.916) 11.073 15.121 ( -1.972 -1.138 12.214) 12.424 15.393 ( 5.630 3.251 8.490) 10.693 15.524 ( 5.914 3.414 3.861) 7.845 15.599 ( 7.497 4.329 16.168) 18.340 15.764 ( -3.242 -1.872 2.269) 4.378 16.673 ( -7.455 -4.304 -1.282) 8.704 16.879 ( -0.792 -0.457 15.570) 15.597 17.089 ( -7.116 -4.108 -3.406) 8.894 17.624 ( 1.139 0.657 -4.144) 4.347 17.745 ( 0.909 0.525 5.471) 5.571 18.478 ( -2.143 -1.237 2.312) 3.386 19.995 ( -8.508 -4.912 -9.639) 13.763 ======================= Grid point 348 (102/116) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( -6.014 -3.472 10.192) 12.333 2.692 ( -10.591 -6.115 12.254) 17.312 3.075 ( -9.717 -5.610 -4.211) 11.985 3.375 ( -0.300 -0.173 4.116) 4.131 3.385 ( -1.658 -0.957 1.614) 2.504 3.528 ( -2.757 -1.592 -3.461) 4.702 5.450 ( 3.321 1.917 8.107) 8.968 6.148 ( -1.383 -0.799 -19.558) 19.623 6.908 ( -29.492 -17.027 10.132) 35.530 7.309 ( 9.775 5.644 1.281) 11.360 7.459 ( 24.309 14.035 0.592) 28.076 7.891 ( 18.136 10.471 6.707) 21.989 8.593 ( -5.080 -2.933 -9.096) 10.823 9.264 ( -15.298 -8.832 7.098) 19.037 9.677 ( 1.513 0.873 -12.223) 12.348 10.219 ( -2.628 -1.517 -2.443) 3.896 10.488 ( 7.327 4.230 14.475) 16.766 10.772 ( 7.514 4.338 -2.040) 8.913 11.113 ( 9.875 5.701 -7.509) 13.653 11.583 ( -5.958 -3.440 8.026) 10.571 12.047 ( -0.481 -0.278 7.713) 7.733 12.190 ( -4.474 -2.583 -1.974) 5.530 12.200 ( -4.131 -2.385 1.881) 5.128 12.496 ( 6.035 3.484 13.154) 14.886 12.548 ( 6.501 3.754 7.263) 10.445 13.205 ( 11.264 6.503 -9.043) 15.842 13.930 ( -1.508 -0.871 -33.620) 33.666 14.296 ( 1.933 1.116 -39.142) 39.206 14.757 ( -9.880 -5.704 9.384) 14.772 15.191 ( -3.868 -2.233 9.635) 10.620 15.250 ( -2.059 -1.189 10.693) 10.955 15.522 ( 0.792 0.457 -0.044) 0.916 15.640 ( 3.316 1.914 1.936) 4.290 15.737 ( 2.622 1.514 1.084) 3.216 15.976 ( 6.665 3.848 16.675) 18.365 16.581 ( -4.176 -2.411 3.433) 5.919 16.663 ( -13.563 -7.830 -13.974) 20.989 17.236 ( 3.028 1.748 13.665) 14.105 17.575 ( -1.221 -0.705 -2.778) 3.116 17.857 ( 1.216 0.702 7.792) 7.918 18.473 ( -5.054 -2.918 5.262) 7.858 19.692 ( -8.769 -5.063 -13.511) 16.884 ======================= Grid point 355 (103/116) ======================= q-point: ( 0.40 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -0.000 -2.407 4.476) 5.082 2.921 ( -0.000 -1.415 5.972) 6.138 3.080 ( 0.000 7.418 3.075) 8.030 3.338 ( -0.000 -2.458 1.805) 3.050 3.438 ( 0.000 4.656 -0.528) 4.686 3.763 ( -0.000 -3.734 -8.972) 9.718 5.624 ( -0.000 -23.380 2.898) 23.558 6.314 ( 0.000 26.606 4.492) 26.982 6.637 ( 0.000 4.490 11.624) 12.461 7.009 ( 0.000 -3.947 -24.303) 24.622 7.170 ( 0.000 7.749 -15.968) 17.749 8.288 ( -0.000 -16.130 5.085) 16.912 8.724 ( 0.000 9.596 5.757) 11.191 9.819 ( -0.000 -23.119 -7.747) 24.383 9.848 ( -0.000 -7.239 12.494) 14.440 9.994 ( 0.000 0.622 -5.263) 5.300 10.174 ( -0.000 -7.223 6.645) 9.814 10.577 ( 0.000 24.353 -0.663) 24.362 10.726 ( 0.000 0.958 -7.660) 7.720 11.766 ( -0.000 -1.946 -1.953) 2.757 11.776 ( -0.000 -0.697 4.448) 4.502 11.894 ( 0.000 3.298 8.007) 8.659 12.023 ( 0.000 9.956 1.427) 10.058 12.522 ( -0.000 -7.231 -4.735) 8.643 12.758 ( 0.000 6.072 -5.668) 8.307 12.766 ( 0.000 2.709 -5.978) 6.563 14.888 ( -0.000 -4.384 11.303) 12.123 14.912 ( -0.000 -6.553 9.029) 11.157 14.984 ( 0.000 -2.526 -9.428) 9.761 15.003 ( 0.000 1.517 2.311) 2.765 15.086 ( 0.000 6.153 9.810) 11.580 15.105 ( -0.000 2.419 15.618) 15.804 15.304 ( 0.000 -2.867 -10.036) 10.438 15.410 ( 0.000 4.718 -26.483) 26.900 15.752 ( -0.000 0.960 5.792) 5.871 16.523 ( -0.000 0.373 28.109) 28.112 16.944 ( -0.000 -13.875 -1.050) 13.915 17.251 ( 0.000 7.126 -1.077) 7.207 17.687 ( 0.000 2.874 -3.803) 4.767 17.690 ( 0.000 -0.326 -2.939) 2.957 18.458 ( -0.000 0.619 2.638) 2.710 20.292 ( -0.000 -4.429 -3.982) 5.956 ======================= Grid point 357 (104/116) ======================= q-point: (-0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -1.059 -3.171 8.143) 8.803 2.940 ( -8.152 0.822 6.186) 10.266 3.208 ( 6.579 4.320 0.551) 7.890 3.345 ( -0.571 -0.802 1.953) 2.187 3.467 ( 2.432 4.121 -1.843) 5.128 3.577 ( -4.250 -3.535 -9.546) 11.031 5.490 ( -5.237 -16.707 4.933) 18.190 6.600 ( -7.714 -3.310 -16.008) 18.075 6.620 ( 11.896 24.100 -0.030) 26.877 6.905 ( 12.348 3.954 3.890) 13.537 7.097 ( 3.067 12.617 -5.917) 14.269 8.121 ( -22.257 -14.968 8.777) 28.221 8.940 ( 11.531 -7.365 3.561) 14.138 9.481 ( -13.456 -13.491 0.186) 19.055 9.855 ( -4.051 5.878 -7.173) 10.120 9.985 ( 2.259 -8.014 6.822) 10.764 10.280 ( 10.211 -8.671 3.575) 13.864 10.633 ( -2.966 9.705 -2.078) 10.359 10.768 ( 8.095 12.935 -4.570) 15.929 11.714 ( -4.079 -2.596 2.387) 5.392 11.864 ( 0.919 -0.979 8.323) 8.431 12.098 ( 3.220 5.065 13.358) 14.644 12.175 ( 4.592 9.153 5.518) 11.632 12.386 ( -1.670 -6.145 -5.961) 8.722 12.580 ( -9.333 3.166 -7.228) 12.222 12.836 ( 11.926 6.498 -8.026) 15.776 14.523 ( -2.491 -5.376 -35.216) 35.711 14.752 ( 1.414 1.807 -34.941) 35.016 14.968 ( -5.942 -4.291 8.419) 11.163 15.076 ( 0.355 -5.801 13.465) 14.665 15.208 ( -2.492 2.982 8.610) 9.447 15.297 ( 2.130 3.086 8.971) 9.723 15.380 ( 2.991 1.375 9.326) 9.890 15.448 ( 5.769 4.675 14.298) 16.111 15.840 ( -2.100 -2.677 7.116) 7.888 16.792 ( -2.455 -13.428 -3.522) 14.097 16.873 ( 0.293 0.461 21.426) 21.433 17.229 ( -3.147 1.757 -5.470) 6.550 17.620 ( -2.037 2.369 -3.757) 4.887 17.705 ( 2.989 5.720 -1.697) 6.673 18.517 ( -0.967 -1.280 6.641) 6.832 20.143 ( -3.389 -6.404 -9.275) 11.770 ======================= Grid point 358 (105/116) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -1.856 -4.222 9.975) 10.990 2.932 ( -9.013 0.365 7.150) 11.511 3.236 ( -1.817 -0.782 -4.467) 4.886 3.369 ( 0.143 -0.581 2.459) 2.531 3.409 ( -1.142 -0.815 -4.585) 4.795 3.502 ( 3.229 3.780 -2.883) 5.747 5.441 ( -2.148 -9.246 7.744) 12.250 6.234 ( -4.714 -2.107 -20.657) 21.292 6.947 ( 14.813 19.861 0.197) 24.778 7.074 ( 9.949 7.671 -2.226) 12.758 7.306 ( 6.468 10.687 10.761) 16.488 7.862 ( -23.322 -11.625 9.183) 27.629 8.772 ( -5.806 -21.761 -9.443) 24.421 9.446 ( -1.756 -7.330 6.287) 9.815 9.767 ( -8.151 10.917 -3.854) 14.159 10.080 ( 9.281 -7.533 5.677) 13.233 10.380 ( 6.915 -4.587 5.017) 9.697 10.657 ( 0.549 8.744 -1.747) 8.934 10.874 ( 8.771 10.638 -6.886) 15.412 11.712 ( -4.205 -2.551 6.723) 8.330 12.000 ( 3.228 -1.212 7.402) 8.166 12.228 ( -1.179 -4.099 -6.787) 8.016 12.348 ( -3.012 4.187 7.921) 9.452 12.404 ( 0.552 3.300 12.647) 13.082 12.450 ( 0.145 5.682 5.557) 7.949 12.918 ( 12.371 7.556 -7.792) 16.458 13.974 ( -1.931 -3.089 -35.630) 35.816 14.251 ( 1.707 2.262 -40.717) 40.816 14.971 ( -7.572 -5.039 8.108) 12.184 15.218 ( 0.194 -4.990 11.988) 12.986 15.316 ( -1.466 -0.112 7.783) 7.921 15.452 ( 2.486 1.549 7.279) 7.847 15.551 ( 2.154 1.234 8.788) 9.131 15.745 ( 2.240 5.051 7.822) 9.577 15.864 ( 0.535 -3.685 8.623) 9.393 16.623 ( -0.609 -13.952 -3.351) 14.362 16.983 ( -11.259 -0.286 -7.612) 13.594 17.185 ( 1.280 1.285 11.240) 11.385 17.587 ( -0.499 3.002 -2.026) 3.656 17.786 ( 4.503 7.482 0.087) 8.733 18.589 ( -4.119 -3.704 10.322) 11.714 19.879 ( -6.133 -7.987 -13.212) 16.612 ======================= Grid point 359 (106/116) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -3.465 -5.095 8.026) 10.119 2.926 ( -7.620 -2.393 7.464) 10.932 3.087 ( -8.003 -3.239 -3.738) 9.409 3.374 ( 0.755 -2.577 0.185) 2.691 3.422 ( 2.383 1.595 1.106) 3.074 3.503 ( -0.070 2.706 -2.460) 3.658 5.521 ( 3.157 -5.898 9.509) 11.626 5.921 ( -3.116 3.711 -17.395) 18.057 7.154 ( -5.316 0.981 -0.392) 5.420 7.246 ( 14.177 9.576 1.792) 17.202 7.514 ( -6.932 2.998 16.158) 17.836 7.839 ( 11.604 12.157 0.851) 16.828 8.447 ( -2.277 -14.060 -10.628) 17.771 9.374 ( -5.304 -13.655 1.557) 14.732 9.666 ( -12.927 7.123 -1.683) 14.855 10.139 ( 4.309 -11.398 -1.681) 12.301 10.613 ( 9.298 5.074 13.124) 16.865 10.708 ( 3.744 9.740 -4.093) 11.209 10.927 ( 7.994 5.910 -8.368) 12.995 11.748 ( -5.016 -3.605 8.761) 10.720 12.020 ( -1.005 -0.204 -6.725) 6.803 12.139 ( 1.180 -2.857 -1.901) 3.629 12.336 ( -2.530 2.138 4.394) 5.503 12.691 ( 2.339 4.718 17.154) 17.944 12.749 ( 2.650 3.497 24.601) 24.989 13.029 ( 10.085 6.607 -2.554) 12.324 13.487 ( -0.338 -0.219 -30.952) 30.955 13.737 ( 2.580 1.993 -39.260) 39.395 14.942 ( -8.109 -5.554 6.568) 11.821 15.316 ( -1.812 -3.890 6.389) 7.697 15.358 ( -1.371 -2.817 1.727) 3.577 15.526 ( -4.201 -7.762 3.712) 9.575 15.687 ( 3.316 2.676 5.444) 6.913 15.752 ( -1.686 5.112 1.422) 5.568 16.055 ( 6.230 0.514 2.122) 6.601 16.511 ( -3.983 -11.520 -3.687) 12.735 16.707 ( -7.481 0.030 -2.097) 7.770 17.356 ( 2.048 2.149 6.492) 7.139 17.578 ( -1.738 2.296 -0.113) 2.882 17.912 ( 5.898 7.046 1.972) 9.398 18.635 ( -7.272 -5.842 10.135) 13.774 19.556 ( -7.205 -8.306 -12.336) 16.525 ======================= Grid point 367 (107/116) ======================= q-point: (-0.50 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 0.000 -3.754 9.740) 10.438 3.084 ( 0.000 1.721 4.546) 4.861 3.185 ( 0.000 2.587 -1.076) 2.802 3.368 ( 0.000 0.281 1.620) 1.644 3.444 ( -0.000 -1.022 -10.132) 10.184 3.456 ( 0.000 4.455 -2.025) 4.894 5.487 ( 0.000 -16.325 8.254) 18.293 6.296 ( 0.000 -3.776 -21.425) 21.755 6.819 ( -0.000 25.369 3.179) 25.567 6.869 ( 0.000 9.665 -2.713) 10.038 7.191 ( 0.000 16.435 5.927) 17.472 8.321 ( -0.000 -17.522 13.011) 21.825 8.724 ( 0.000 -25.915 -7.076) 26.863 9.515 ( 0.000 -5.615 3.869) 6.819 9.910 ( 0.000 -13.028 2.481) 13.263 9.928 ( -0.000 15.134 -1.110) 15.175 10.229 ( 0.000 -5.428 3.969) 6.724 10.669 ( 0.000 3.087 0.173) 3.092 10.763 ( 0.000 17.146 -6.715) 18.414 11.762 ( 0.000 -2.808 4.618) 5.405 11.956 ( 0.000 -0.981 7.044) 7.112 12.241 ( 0.000 -2.735 -6.066) 6.655 12.342 ( 0.000 5.345 18.996) 19.734 12.388 ( 0.000 4.972 15.418) 16.200 12.586 ( 0.000 2.094 -8.630) 8.880 12.679 ( 0.000 9.980 -5.977) 11.633 14.002 ( 0.000 -4.459 -36.478) 36.749 14.227 ( 0.000 3.313 -41.216) 41.349 15.073 ( 0.000 -4.496 6.394) 7.816 15.230 ( -0.000 -6.089 12.902) 14.266 15.288 ( 0.000 -1.771 5.222) 5.514 15.423 ( 0.000 3.180 7.700) 8.331 15.596 ( -0.000 5.010 13.670) 14.559 15.639 ( 0.000 2.595 16.877) 17.075 15.887 ( 0.000 -6.118 1.373) 6.270 16.627 ( 0.000 -17.177 -5.507) 18.039 17.129 ( 0.000 0.761 15.099) 15.118 17.175 ( -0.000 2.193 -8.638) 8.912 17.600 ( 0.000 0.887 -3.249) 3.368 17.707 ( -0.000 12.678 -2.764) 12.976 18.641 ( 0.000 -3.817 12.130) 12.716 19.955 ( 0.000 -8.870 -12.946) 15.693 ======================= Grid point 369 (108/116) ======================= q-point: (-0.40 0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -1.042 -4.540 8.622) 9.800 3.076 ( -5.345 -1.536 0.273) 5.568 3.191 ( 1.704 -1.221 -2.449) 3.224 3.332 ( -0.082 3.816 -5.281) 6.517 3.395 ( -0.218 0.095 1.904) 1.919 3.472 ( 1.864 3.844 -1.840) 4.651 5.521 ( -1.579 -10.497 11.649) 15.760 5.987 ( -1.605 -2.776 -17.889) 18.174 6.950 ( 6.430 15.647 -1.242) 16.962 7.051 ( 5.691 20.396 -0.357) 21.178 7.446 ( 6.209 18.318 7.407) 20.711 8.165 ( -21.422 -20.608 4.634) 30.084 8.474 ( 3.656 -26.816 -5.311) 27.580 9.473 ( -4.696 -5.484 -0.024) 7.220 9.897 ( 10.619 -14.026 -1.392) 17.648 10.010 ( -13.106 10.744 6.539) 18.165 10.350 ( 12.088 3.450 7.273) 14.523 10.702 ( -1.054 7.029 -0.376) 7.118 10.781 ( 3.475 11.279 -7.446) 13.955 11.821 ( -0.984 -2.439 7.385) 7.839 12.017 ( 0.164 -0.949 -0.251) 0.995 12.124 ( -0.036 -4.435 -3.972) 5.954 12.446 ( -4.895 2.770 -5.382) 7.784 12.647 ( 0.584 6.852 13.397) 15.059 12.699 ( 2.328 3.923 22.609) 23.065 12.804 ( 6.882 7.857 10.095) 14.526 13.500 ( -0.479 -1.086 -32.511) 32.533 13.692 ( 1.062 2.901 -40.318) 40.437 15.085 ( -3.534 -4.756 3.328) 6.796 15.330 ( -0.372 -4.601 7.866) 9.120 15.352 ( 1.260 -4.415 4.280) 6.277 15.547 ( 1.281 1.921 6.635) 7.025 15.746 ( -6.849 -3.544 8.590) 11.544 15.803 ( -1.448 3.742 0.005) 4.013 15.910 ( 6.258 0.242 6.083) 8.731 16.468 ( 2.539 -18.538 1.533) 18.773 16.980 ( -9.621 1.833 -12.374) 15.781 17.308 ( 1.981 1.362 7.581) 7.953 17.584 ( 1.491 2.261 -1.594) 3.143 17.785 ( 2.928 12.592 -1.664) 13.035 18.761 ( -2.878 -6.254 11.311) 13.241 19.690 ( -3.229 -10.529 -11.833) 16.164 ======================= Grid point 370 (109/116) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -2.857 -4.948 0.000) 5.713 2.995 ( -2.493 -4.317 0.000) 4.985 3.132 ( -3.720 -6.442 -0.000) 7.439 3.345 ( 1.235 2.139 0.000) 2.470 3.410 ( 0.902 1.562 -0.000) 1.804 3.501 ( 1.793 3.106 0.000) 3.586 5.548 ( -4.337 -7.511 -0.000) 8.673 5.828 ( 2.440 4.226 0.000) 4.880 7.182 ( 10.998 19.048 -0.000) 21.995 7.191 ( 2.587 4.481 0.000) 5.174 7.761 ( 11.953 20.703 0.000) 23.906 7.829 ( -9.503 -16.459 -0.000) 19.005 8.266 ( -8.454 -14.644 0.000) 16.909 9.359 ( -5.545 -9.605 0.000) 11.091 9.864 ( -3.632 -6.291 0.000) 7.264 9.967 ( -2.522 -4.368 -0.000) 5.044 10.662 ( 7.332 12.699 0.000) 14.663 10.717 ( 4.486 7.770 0.000) 8.971 10.820 ( 2.832 4.904 -0.000) 5.663 11.850 ( -3.961 -6.861 -0.000) 7.923 11.956 ( 1.015 1.757 0.000) 2.029 12.105 ( -0.329 -0.570 0.000) 0.658 12.389 ( -0.201 -0.349 0.000) 0.403 12.824 ( 6.313 10.935 0.000) 12.627 13.023 ( 0.386 0.668 0.000) 0.771 13.172 ( 2.244 3.887 -0.000) 4.488 13.174 ( 1.172 2.030 -0.000) 2.344 13.241 ( 1.990 3.447 0.000) 3.980 15.023 ( -3.931 -6.808 0.000) 7.861 15.341 ( -2.130 -3.690 -0.000) 4.261 15.361 ( -1.855 -3.213 0.000) 3.710 15.572 ( -7.300 -12.643 0.000) 14.599 15.693 ( 3.688 6.388 -0.000) 7.377 15.901 ( 2.101 3.639 0.000) 4.202 15.929 ( -0.810 -1.403 -0.000) 1.620 16.478 ( -4.343 -7.522 0.000) 8.685 16.736 ( -2.114 -3.662 0.000) 4.228 17.396 ( 1.446 2.504 0.000) 2.891 17.606 ( 0.933 1.616 -0.000) 1.866 17.904 ( 6.040 10.462 0.000) 12.081 18.750 ( -4.806 -8.323 0.000) 9.611 19.469 ( -5.905 -10.227 0.000) 11.809 ======================= Grid point 380 (110/116) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -0.000 -5.204 1.456) 5.404 3.067 ( -0.000 -3.763 -7.054) 7.995 3.086 ( -0.000 -4.910 -0.147) 4.912 3.354 ( 0.000 4.821 0.962) 4.917 3.436 ( 0.000 1.162 2.597) 2.846 3.450 ( 0.000 2.655 -2.526) 3.664 5.670 ( -0.000 -6.686 16.578) 17.875 5.750 ( 0.000 -2.032 -14.705) 14.844 7.009 ( 0.000 15.984 0.835) 16.006 7.155 ( 0.000 20.083 -1.713) 20.156 7.616 ( 0.000 23.398 0.459) 23.403 7.932 ( -0.000 -33.876 -13.924) 36.626 8.452 ( -0.000 -15.630 12.479) 20.000 9.491 ( -0.000 -2.579 1.593) 3.032 9.669 ( -0.000 -15.122 -5.083) 15.954 10.233 ( -0.000 -4.956 1.603) 5.209 10.433 ( 0.000 16.944 12.670) 21.157 10.710 ( 0.000 11.353 -11.019) 15.821 10.781 ( 0.000 6.660 3.745) 7.641 11.918 ( -0.000 -1.429 8.051) 8.177 11.923 ( -0.000 -4.422 -9.327) 10.322 12.114 ( -0.000 -2.397 4.096) 4.746 12.392 ( 0.000 1.821 -6.730) 6.972 12.737 ( 0.000 10.376 -0.672) 10.398 13.025 ( -0.000 1.785 16.779) 16.874 13.107 ( 0.000 2.147 -19.396) 19.514 13.200 ( 0.000 2.730 -24.622) 24.773 13.205 ( -0.000 5.364 30.634) 31.100 15.070 ( -0.000 -6.839 -2.531) 7.292 15.370 ( -0.000 -3.412 3.600) 4.960 15.380 ( -0.000 -4.141 2.150) 4.666 15.631 ( -0.000 -1.811 6.133) 6.395 15.680 ( -0.000 -3.427 -7.774) 8.496 15.841 ( 0.000 0.942 -9.390) 9.437 15.998 ( 0.000 4.783 8.040) 9.356 16.432 ( -0.000 -18.002 15.196) 23.558 16.867 ( 0.000 1.533 -14.463) 14.544 17.365 ( 0.000 1.534 1.365) 2.053 17.559 ( 0.000 1.661 -1.333) 2.129 17.843 ( 0.000 12.389 -0.972) 12.427 18.808 ( -0.000 -8.870 -1.303) 8.966 19.546 ( -0.000 -11.096 0.942) 11.136 ======================= Grid point 465 (111/116) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -0.000 0.000 7.745) 7.745 3.041 ( -0.000 0.000 4.137) 4.137 3.041 ( -0.000 0.000 4.137) 4.137 3.382 ( -0.000 -0.000 -0.325) 0.325 3.382 ( 0.000 0.000 -0.325) 0.325 3.644 ( 0.000 -0.000 -11.762) 11.762 5.997 ( 0.000 0.000 2.625) 2.625 5.997 ( 0.000 0.000 2.625) 2.625 6.762 ( -0.000 0.000 10.736) 10.736 6.823 ( 0.000 0.000 -16.376) 16.376 6.823 ( 0.000 -0.000 -16.376) 16.376 8.658 ( -0.000 0.000 12.470) 12.470 8.658 ( 0.000 0.000 12.470) 12.470 9.798 ( 0.000 -0.000 -11.409) 11.409 10.062 ( -0.000 0.000 9.846) 9.846 10.095 ( -0.000 0.000 -8.443) 8.443 10.095 ( 0.000 -0.000 -8.443) 8.443 10.406 ( -0.000 0.000 7.167) 7.167 10.632 ( 0.000 -0.000 -3.574) 3.574 11.826 ( -0.000 0.000 3.197) 3.197 11.826 ( 0.000 0.000 3.197) 3.197 12.024 ( -0.000 0.000 13.316) 13.316 12.024 ( -0.000 0.000 13.316) 13.316 12.517 ( 0.000 -0.000 -6.900) 6.900 12.620 ( -0.000 -0.000 -8.092) 8.092 12.620 ( 0.000 -0.000 -8.092) 8.092 14.657 ( 0.000 -0.000 -36.491) 36.491 14.657 ( 0.000 -0.000 -36.491) 36.491 15.100 ( -0.000 0.000 5.090) 5.090 15.155 ( -0.000 0.000 12.930) 12.930 15.155 ( -0.000 0.000 12.930) 12.930 15.251 ( -0.000 0.000 9.501) 9.501 15.338 ( 0.000 0.000 12.401) 12.401 15.338 ( 0.000 0.000 12.401) 12.401 15.889 ( -0.000 0.000 10.637) 10.637 16.863 ( -0.000 0.000 21.791) 21.791 17.085 ( 0.000 -0.000 -3.858) 3.858 17.085 ( 0.000 0.000 -3.858) 3.858 17.622 ( 0.000 -0.000 -5.000) 5.000 17.622 ( 0.000 -0.000 -5.000) 5.000 18.538 ( -0.000 0.000 9.122) 9.122 20.232 ( 0.000 -0.000 -9.061) 9.061 ======================= Grid point 468 (112/116) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -1.160 -0.670 9.792) 9.883 3.029 ( -4.424 -2.554 4.892) 7.073 3.169 ( 5.503 3.177 1.103) 6.450 3.366 ( 0.001 0.001 0.415) 0.415 3.400 ( 2.363 1.364 -2.265) 3.546 3.463 ( -1.557 -0.899 -11.107) 11.251 5.752 ( -15.434 -8.911 5.100) 18.537 6.291 ( 10.812 6.243 -10.801) 16.509 6.520 ( -0.544 -0.314 -3.256) 3.316 6.795 ( 11.301 6.525 -9.854) 16.352 6.974 ( 9.308 5.374 8.349) 13.610 8.506 ( -26.253 -15.157 14.915) 33.785 9.089 ( 8.541 4.931 12.235) 15.715 9.625 ( -18.068 -10.432 -5.754) 21.642 9.648 ( 0.478 0.276 -9.851) 9.866 10.160 ( -2.031 -1.173 5.989) 6.432 10.264 ( 18.366 10.604 -11.276) 24.019 10.490 ( -0.364 -0.210 3.899) 3.922 10.636 ( 4.348 2.510 -1.402) 5.212 11.815 ( -3.855 -2.226 5.404) 7.001 11.938 ( 3.717 2.146 4.210) 6.012 12.272 ( 0.651 0.376 16.285) 16.302 12.282 ( 1.889 1.091 19.914) 20.033 12.380 ( -2.369 -1.368 -2.776) 3.898 12.454 ( -3.424 -1.977 -6.777) 7.846 12.634 ( 10.575 6.105 -8.255) 14.739 14.064 ( -3.661 -2.114 -38.863) 39.092 14.177 ( 3.199 1.847 -40.948) 41.115 15.124 ( -4.134 -2.387 5.050) 6.949 15.288 ( -1.576 -0.910 9.862) 10.029 15.327 ( 0.653 0.377 9.351) 9.381 15.385 ( 1.589 0.918 8.377) 8.575 15.513 ( -0.706 -0.408 14.048) 14.071 15.613 ( 5.080 2.933 15.635) 16.699 15.970 ( -3.306 -1.909 4.551) 5.940 16.883 ( -8.398 -4.849 -4.090) 10.524 17.068 ( -1.349 -0.779 -2.676) 3.096 17.140 ( 2.733 1.578 8.649) 9.207 17.534 ( -0.013 -0.008 -4.123) 4.123 17.615 ( 5.631 3.251 -4.011) 7.640 18.683 ( -2.247 -1.297 13.676) 13.920 20.050 ( -3.890 -2.246 -12.610) 13.386 ======================= Grid point 469 (113/116) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -2.508 -1.448 8.531) 9.009 3.036 ( -3.991 -2.304 5.876) 7.468 3.182 ( -1.883 -1.087 -4.950) 5.406 3.329 ( 3.501 2.021 -5.644) 6.943 3.391 ( 1.555 0.898 1.428) 2.294 3.434 ( 2.845 1.642 -1.604) 3.655 5.663 ( -8.497 -4.906 9.741) 13.826 6.012 ( -7.174 -4.142 -17.802) 19.635 6.748 ( 16.860 9.734 1.816) 19.553 6.910 ( 14.857 8.577 -3.706) 17.551 7.278 ( 15.914 9.188 6.085) 19.357 8.243 ( -30.980 -17.886 13.476) 38.226 8.894 ( -20.131 -11.623 -10.916) 25.681 9.551 ( -0.176 -0.102 -4.965) 4.969 9.670 ( 0.452 0.261 12.201) 12.212 10.215 ( 1.406 0.812 4.664) 4.939 10.368 ( 15.802 9.123 -12.625) 22.188 10.520 ( -0.192 -0.111 4.002) 4.008 10.710 ( 7.249 4.185 -2.056) 8.620 11.855 ( -3.215 -1.856 8.156) 8.962 12.011 ( 1.637 0.945 -2.640) 3.247 12.215 ( -3.178 -1.835 -4.795) 6.038 12.326 ( -2.009 -1.160 0.553) 2.384 12.583 ( 3.935 2.272 9.567) 10.591 12.671 ( 2.528 1.460 28.428) 28.578 12.771 ( 10.209 5.894 7.892) 14.186 13.509 ( -1.510 -0.872 -35.256) 35.299 13.666 ( 2.872 1.658 -39.909) 40.046 15.112 ( -5.232 -3.021 4.072) 7.286 15.380 ( -1.230 -0.710 6.110) 6.273 15.410 ( -1.228 -0.709 2.995) 3.313 15.529 ( 2.971 1.715 7.145) 7.926 15.687 ( -0.393 -0.227 12.507) 12.515 15.778 ( -3.273 -1.889 0.886) 3.881 15.985 ( 1.219 0.704 3.738) 3.995 16.756 ( -4.583 -2.646 3.206) 6.187 16.839 ( -9.643 -5.567 -13.874) 17.789 17.302 ( 1.713 0.989 6.872) 7.151 17.524 ( 2.239 1.293 -0.898) 2.737 17.692 ( 8.983 5.186 -1.834) 10.533 18.810 ( -5.506 -3.179 12.456) 13.985 19.785 ( -7.406 -4.276 -11.870) 14.629 ======================= Grid point 478 (114/116) ======================= q-point: (-0.50 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 0.000 -2.208 9.296) 9.555 3.120 ( 0.000 0.893 3.404) 3.519 3.151 ( -0.000 1.093 -0.380) 1.157 3.300 ( -0.000 -0.460 -9.962) 9.972 3.375 ( 0.000 1.493 -0.213) 1.508 3.384 ( 0.000 2.635 -1.125) 2.865 5.827 ( 0.000 -16.332 7.617) 18.021 6.110 ( 0.000 -3.589 -12.856) 13.347 6.566 ( 0.000 15.639 2.056) 15.774 6.650 ( -0.000 11.469 -6.741) 13.304 7.070 ( 0.000 11.427 4.832) 12.406 8.813 ( -0.000 -22.296 17.418) 28.293 9.018 ( 0.000 -25.237 -2.872) 25.399 9.607 ( 0.000 -6.453 -3.731) 7.454 9.689 ( 0.000 21.392 4.488) 21.858 9.968 ( 0.000 4.948 -11.316) 12.351 10.245 ( 0.000 2.693 0.724) 2.789 10.552 ( 0.000 3.334 0.595) 3.387 10.622 ( 0.000 3.083 0.063) 3.084 11.889 ( 0.000 -3.503 5.827) 6.799 11.985 ( 0.000 3.539 1.761) 3.953 12.250 ( 0.000 -7.597 -3.902) 8.540 12.438 ( -0.000 2.265 -7.347) 7.688 12.472 ( 0.000 7.682 -3.768) 8.557 12.619 ( 0.000 1.227 27.505) 27.532 12.649 ( 0.000 3.888 28.497) 28.761 13.539 ( 0.000 -2.391 -37.200) 37.277 13.620 ( 0.000 3.219 -39.849) 39.979 15.177 ( 0.000 -2.212 2.138) 3.076 15.396 ( 0.000 -1.913 5.504) 5.827 15.414 ( 0.000 -1.315 5.394) 5.552 15.489 ( 0.000 1.437 6.480) 6.637 15.722 ( -0.000 0.968 11.346) 11.387 15.780 ( 0.000 3.050 9.305) 9.792 15.991 ( 0.000 -5.353 0.361) 5.365 16.799 ( 0.000 -13.482 -1.462) 13.561 16.996 ( 0.000 2.917 -9.757) 10.184 17.274 ( 0.000 0.756 7.639) 7.676 17.523 ( 0.000 2.710 -3.605) 4.510 17.535 ( -0.000 7.428 -1.811) 7.645 18.877 ( 0.000 -3.043 12.894) 13.248 19.876 ( 0.000 -4.916 -11.451) 12.461 ======================= Grid point 480 (115/116) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -1.843 -3.191 0.000) 3.685 3.099 ( -1.822 -3.156 -0.000) 3.644 3.178 ( 0.767 1.329 -0.000) 1.534 3.236 ( 1.618 2.802 0.000) 3.236 3.398 ( 0.888 1.538 -0.000) 1.776 3.407 ( 1.937 3.356 0.000) 3.875 5.815 ( -6.536 -11.320 -0.000) 13.072 5.869 ( -3.731 -6.462 0.000) 7.462 6.719 ( 8.092 14.016 0.000) 16.184 6.796 ( 9.912 17.168 0.000) 19.824 7.253 ( 8.779 15.205 0.000) 17.557 8.569 ( -17.490 -30.294 -0.000) 34.980 8.792 ( -12.511 -21.670 0.000) 25.022 9.515 ( -1.498 -2.595 0.000) 2.997 9.929 ( 5.003 8.666 -0.000) 10.007 9.976 ( 2.514 4.355 0.000) 5.028 10.295 ( 5.346 9.259 0.000) 10.691 10.562 ( 1.159 2.008 0.000) 2.319 10.669 ( 2.759 4.780 0.000) 5.519 11.951 ( -0.460 -0.796 0.000) 0.920 11.965 ( -0.756 -1.310 -0.000) 1.513 12.175 ( -2.451 -4.246 0.000) 4.902 12.370 ( 0.509 0.882 0.000) 1.018 12.553 ( 5.100 8.833 -0.000) 10.200 13.006 ( 0.159 0.276 0.000) 0.318 13.059 ( 2.080 3.602 -0.000) 4.160 13.134 ( 0.588 1.018 -0.000) 1.175 13.157 ( 1.472 2.549 0.000) 2.943 15.162 ( -1.875 -3.248 0.000) 3.751 15.422 ( -1.243 -2.153 -0.000) 2.486 15.432 ( -0.930 -1.610 0.000) 1.860 15.568 ( 1.682 2.913 0.000) 3.363 15.798 ( -1.798 -3.115 0.000) 3.597 15.832 ( 0.725 1.256 -0.000) 1.450 15.965 ( -1.592 -2.758 -0.000) 3.184 16.734 ( -5.504 -9.534 0.000) 11.008 16.840 ( -2.059 -3.566 0.000) 4.118 17.342 ( 0.833 1.442 0.000) 1.666 17.525 ( 1.956 3.388 -0.000) 3.912 17.625 ( 5.372 9.304 0.000) 10.743 18.935 ( -2.781 -4.817 0.000) 5.562 19.719 ( -4.068 -7.046 0.000) 8.136 ======================= Grid point 596 (116/116) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 0.000 0.000 -0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 -0.000 -0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.469 ( 0.000 0.000 0.000) 0.000 6.469 ( 0.000 0.000 0.000) 0.000 7.023 ( 0.000 0.000 0.000) 0.000 9.245 ( -0.000 -0.000 -0.000) 0.000 9.245 ( 0.000 0.000 -0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.649 ( 0.000 -0.000 0.000) 0.000 9.649 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 10.557 ( 0.000 0.000 0.000) 0.000 10.600 ( 0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 11.966 ( 0.000 0.000 0.000) 0.000 12.307 ( 0.000 0.000 0.000) 0.000 12.359 ( -0.000 -0.000 0.000) 0.000 12.359 ( 0.000 0.000 0.000) 0.000 13.006 ( 0.000 0.000 -0.000) 0.000 13.006 ( 0.000 0.000 0.000) 0.000 13.118 ( 0.000 0.000 -0.000) 0.000 13.118 ( -0.000 0.000 0.000) 0.000 15.205 ( 0.000 0.000 0.000) 0.000 15.453 ( 0.000 0.000 0.000) 0.000 15.453 ( 0.000 0.000 0.000) 0.000 15.526 ( 0.000 0.000 0.000) 0.000 15.820 ( 0.000 0.000 0.000) 0.000 15.820 ( 0.000 0.000 0.000) 0.000 16.023 ( 0.000 0.000 -0.000) 0.000 16.897 ( 0.000 -0.000 -0.000) 0.000 16.897 ( 0.000 0.000 0.000) 0.000 17.320 ( 0.000 0.000 0.000) 0.000 17.469 ( 0.000 0.000 0.000) 0.000 17.469 ( 0.000 0.000 0.000) 0.000 19.002 ( 0.000 0.000 0.000) 0.000 19.820 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/42000 10.0 1448.449 1448.449 2901.323 0.000 -0.000 -0.000 3/42000 20.0 510.828 510.828 487.986 0.000 -0.000 -0.000 3/42000 30.0 276.749 276.749 248.548 0.000 -0.000 -0.000 3/42000 40.0 184.993 184.993 165.022 0.000 -0.000 -0.000 3/42000 50.0 133.307 133.307 118.904 0.000 -0.000 -0.000 3/42000 60.0 100.357 100.357 89.818 0.000 -0.000 -0.000 3/42000 70.0 77.895 77.895 70.010 0.000 -0.000 -0.000 3/42000 80.0 61.894 61.894 55.848 0.000 -0.000 -0.000 3/42000 90.0 50.157 50.157 45.416 0.000 -0.000 -0.000 3/42000 100.0 41.370 41.370 37.581 0.000 -0.000 -0.000 3/42000 110.0 34.683 34.683 31.612 0.000 -0.000 -0.000 3/42000 120.0 29.521 29.521 27.005 0.000 -0.000 -0.000 3/42000 130.0 25.480 25.480 23.403 0.000 -0.000 -0.000 3/42000 140.0 22.274 22.274 20.551 0.000 -0.000 -0.000 3/42000 150.0 19.696 19.696 18.264 0.000 -0.000 -0.000 3/42000 160.0 17.597 17.597 16.405 0.000 -0.000 -0.000 3/42000 170.0 15.867 15.867 14.875 0.000 -0.000 -0.000 3/42000 180.0 14.425 14.425 13.602 0.000 -0.000 -0.000 3/42000 190.0 13.210 13.210 12.529 0.000 -0.000 -0.000 3/42000 200.0 12.175 12.175 11.616 0.000 -0.000 -0.000 3/42000 210.0 11.287 11.287 10.831 0.000 -0.000 -0.000 3/42000 220.0 10.517 10.517 10.150 0.000 -0.000 -0.000 3/42000 230.0 9.844 9.844 9.554 0.000 -0.000 -0.000 3/42000 240.0 9.252 9.252 9.028 0.000 -0.000 -0.000 3/42000 250.0 8.728 8.728 8.561 0.000 -0.000 -0.000 3/42000 260.0 8.261 8.261 8.143 0.000 -0.000 -0.000 3/42000 270.0 7.843 7.843 7.767 0.000 -0.000 -0.000 3/42000 280.0 7.465 7.465 7.426 0.000 -0.000 -0.000 3/42000 290.0 7.124 7.124 7.117 0.000 -0.000 -0.000 3/42000 300.0 6.813 6.813 6.834 0.000 -0.000 -0.000 3/42000 310.0 6.529 6.529 6.575 0.000 -0.000 -0.000 3/42000 320.0 6.269 6.269 6.336 0.000 -0.000 -0.000 3/42000 330.0 6.030 6.030 6.115 0.000 -0.000 -0.000 3/42000 340.0 5.808 5.808 5.910 0.000 -0.000 -0.000 3/42000 350.0 5.604 5.604 5.719 0.000 -0.000 -0.000 3/42000 360.0 5.413 5.413 5.541 0.000 -0.000 -0.000 3/42000 370.0 5.236 5.236 5.375 0.000 -0.000 -0.000 3/42000 380.0 5.071 5.071 5.219 0.000 -0.000 -0.000 3/42000 390.0 4.916 4.916 5.072 0.000 -0.000 -0.000 3/42000 400.0 4.771 4.771 4.934 0.000 -0.000 -0.000 3/42000 410.0 4.634 4.634 4.803 0.000 -0.000 -0.000 3/42000 420.0 4.506 4.506 4.680 0.000 -0.000 -0.000 3/42000 430.0 4.384 4.384 4.563 0.000 -0.000 -0.000 3/42000 440.0 4.270 4.270 4.452 0.000 -0.000 -0.000 3/42000 450.0 4.161 4.161 4.347 0.000 -0.000 -0.000 3/42000 460.0 4.058 4.058 4.247 0.000 -0.000 -0.000 3/42000 470.0 3.960 3.960 4.151 0.000 -0.000 -0.000 3/42000 480.0 3.867 3.867 4.060 0.000 -0.000 -0.000 3/42000 490.0 3.779 3.779 3.973 0.000 -0.000 -0.000 3/42000 500.0 3.694 3.694 3.890 0.000 -0.000 -0.000 3/42000 510.0 3.614 3.614 3.810 0.000 -0.000 -0.000 3/42000 520.0 3.537 3.537 3.734 0.000 -0.000 -0.000 3/42000 530.0 3.463 3.463 3.660 0.000 -0.000 -0.000 3/42000 540.0 3.393 3.393 3.590 0.000 -0.000 -0.000 3/42000 550.0 3.325 3.325 3.522 0.000 -0.000 -0.000 3/42000 560.0 3.260 3.260 3.457 0.000 -0.000 -0.000 3/42000 570.0 3.198 3.198 3.395 0.000 -0.000 -0.000 3/42000 580.0 3.138 3.138 3.334 0.000 -0.000 -0.000 3/42000 590.0 3.080 3.080 3.276 0.000 -0.000 -0.000 3/42000 600.0 3.025 3.025 3.220 0.000 -0.000 -0.000 3/42000 610.0 2.971 2.971 3.166 0.000 -0.000 -0.000 3/42000 620.0 2.920 2.920 3.114 0.000 -0.000 -0.000 3/42000 630.0 2.870 2.870 3.063 0.000 -0.000 -0.000 3/42000 640.0 2.822 2.822 3.014 0.000 -0.000 -0.000 3/42000 650.0 2.776 2.776 2.967 0.000 -0.000 -0.000 3/42000 660.0 2.731 2.731 2.921 0.000 -0.000 -0.000 3/42000 670.0 2.687 2.687 2.877 0.000 -0.000 -0.000 3/42000 680.0 2.645 2.645 2.834 0.000 -0.000 -0.000 3/42000 690.0 2.605 2.605 2.792 0.000 -0.000 -0.000 3/42000 700.0 2.565 2.565 2.751 0.000 -0.000 -0.000 3/42000 710.0 2.527 2.527 2.712 0.000 -0.000 -0.000 3/42000 720.0 2.490 2.490 2.674 0.000 -0.000 -0.000 3/42000 730.0 2.454 2.454 2.637 0.000 -0.000 -0.000 3/42000 740.0 2.419 2.419 2.601 0.000 -0.000 -0.000 3/42000 750.0 2.386 2.386 2.565 0.000 -0.000 -0.000 3/42000 760.0 2.353 2.353 2.531 0.000 -0.000 -0.000 3/42000 770.0 2.321 2.321 2.498 0.000 -0.000 -0.000 3/42000 780.0 2.290 2.290 2.466 0.000 -0.000 -0.000 3/42000 790.0 2.259 2.259 2.434 0.000 -0.000 -0.000 3/42000 800.0 2.230 2.230 2.403 0.000 -0.000 -0.000 3/42000 810.0 2.201 2.201 2.373 0.000 -0.000 -0.000 3/42000 820.0 2.173 2.173 2.344 0.000 -0.000 -0.000 3/42000 830.0 2.146 2.146 2.316 0.000 -0.000 -0.000 3/42000 840.0 2.119 2.119 2.288 0.000 -0.000 -0.000 3/42000 850.0 2.093 2.093 2.261 0.000 -0.000 -0.000 3/42000 860.0 2.068 2.068 2.234 0.000 -0.000 -0.000 3/42000 870.0 2.044 2.044 2.208 0.000 -0.000 -0.000 3/42000 880.0 2.019 2.019 2.183 0.000 -0.000 -0.000 3/42000 890.0 1.996 1.996 2.159 0.000 -0.000 -0.000 3/42000 900.0 1.973 1.973 2.134 0.000 -0.000 -0.000 3/42000 910.0 1.951 1.951 2.111 0.000 -0.000 -0.000 3/42000 920.0 1.929 1.929 2.088 0.000 -0.000 -0.000 3/42000 930.0 1.907 1.907 2.065 0.000 -0.000 -0.000 3/42000 940.0 1.886 1.886 2.043 0.000 -0.000 -0.000 3/42000 950.0 1.866 1.866 2.021 0.000 -0.000 -0.000 3/42000 960.0 1.846 1.846 2.000 0.000 -0.000 -0.000 3/42000 970.0 1.826 1.826 1.980 0.000 -0.000 -0.000 3/42000 980.0 1.807 1.807 1.959 0.000 -0.000 -0.000 3/42000 990.0 1.789 1.789 1.940 0.000 -0.000 -0.000 3/42000 1000.0 1.770 1.770 1.920 0.000 -0.000 -0.000 3/42000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:31:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|