----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:14:19]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.587966199022399 0.000000000000000 0.000000000000000 b -3.793983099511200 6.571371491411045 0.000000000000000 c 0.000000000000000 0.000000000000000 5.856626550000000 Atomic positions (fractional): *1 Na 0.14031423511994 0.85968576488006 0.61273386785799 22.990 *2 Na 0.46232533169137 0.92465066338273 0.28822309754309 22.990 3 Na 0.71937152976012 0.85968576488006 0.61273386785799 22.990 4 Na 0.07534933661727 0.53767466830863 0.28822309754309 22.990 5 Na 0.46232533169137 0.53767466830863 0.28822309754309 22.990 6 Na 0.85968576488006 0.71937152976012 0.11273386785799 22.990 7 Na 0.14031423511994 0.28062847023988 0.61273386785799 22.990 8 Na 0.53767466830863 0.46232533169137 0.78822309754309 22.990 9 Na 0.92465066338273 0.46232533169137 0.78822309754309 22.990 10 Na 0.28062847023988 0.14031423511994 0.11273386785799 22.990 11 Na 0.53767466830863 0.07534933661727 0.78822309754309 22.990 12 Na 0.85968576488006 0.14031423511994 0.11273386785799 22.990 *13 Mg 0.33333333333333 0.66666666666667 0.89118588959997 24.305 14 Mg 0.66666666666667 0.33333333333333 0.39118588959997 24.305 *15 O 0.19044716294477 0.80955283705523 0.00272484928904 15.999 *16 O 0.33333333333333 0.66666666666667 0.55701524632965 15.999 17 O 0.61910567411045 0.80955283705523 0.00272484928904 15.999 18 O 0.19044716294477 0.38089432588955 0.00272484928904 15.999 19 O 0.80955283705523 0.61910567411045 0.50272484928905 15.999 20 O 0.66666666666667 0.33333333333333 0.05701524632965 15.999 21 O 0.38089432588955 0.19044716294477 0.50272484928905 15.999 22 O 0.80955283705523 0.19044716294477 0.50272484928905 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.587966199022399 0.000000000000000 0.000000000000000 b -3.793983099511200 6.571371491411045 0.000000000000000 c 0.000000000000000 0.000000000000000 5.856626550000000 Atomic positions (fractional): *1 Na 0.14031423511994 0.85968576488006 0.61273386785799 22.990 > 1 *2 Na 0.46232533169137 0.92465066338273 0.28822309754309 22.990 > 2 3 Na 0.71937152976012 0.85968576488006 0.61273386785799 22.990 > 3 4 Na 0.07534933661727 0.53767466830863 0.28822309754309 22.990 > 4 5 Na 0.46232533169137 0.53767466830863 0.28822309754309 22.990 > 5 6 Na 0.85968576488006 0.71937152976012 0.11273386785799 22.990 > 6 7 Na 0.14031423511994 0.28062847023988 0.61273386785799 22.990 > 7 8 Na 0.53767466830863 0.46232533169137 0.78822309754309 22.990 > 8 9 Na 0.92465066338273 0.46232533169137 0.78822309754309 22.990 > 9 10 Na 0.28062847023988 0.14031423511994 0.11273386785799 22.990 > 10 11 Na 0.53767466830863 0.07534933661727 0.78822309754309 22.990 > 11 12 Na 0.85968576488006 0.14031423511994 0.11273386785799 22.990 > 12 *13 Mg 0.33333333333333 0.66666666666667 0.89118588959997 24.305 > 13 14 Mg 0.66666666666667 0.33333333333333 0.39118588959997 24.305 > 14 *15 O 0.19044716294477 0.80955283705523 0.00272484928904 15.999 > 15 *16 O 0.33333333333333 0.66666666666667 0.55701524632965 15.999 > 16 17 O 0.61910567411045 0.80955283705523 0.00272484928904 15.999 > 17 18 O 0.19044716294477 0.38089432588955 0.00272484928904 15.999 > 18 19 O 0.80955283705523 0.61910567411045 0.50272484928905 15.999 > 19 20 O 0.66666666666667 0.33333333333333 0.05701524632965 15.999 > 20 21 O 0.38089432588955 0.19044716294477 0.50272484928905 15.999 > 21 22 O 0.80955283705523 0.19044716294477 0.50272484928905 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.587966199022399 0.000000000000000 0.000000000000000 b -3.793983099511200 6.571371491411045 0.000000000000000 c 0.000000000000000 0.000000000000000 11.713253099999999 Atomic positions (fractional): *1 Na 0.14031423511994 0.85968576488006 0.30636693392900 22.990 > 1 2 Na 0.14031423511994 0.85968576488006 0.80636693392900 22.990 > 1 *3 Na 0.46232533169137 0.92465066338273 0.14411154877154 22.990 > 2 4 Na 0.46232533169137 0.92465066338273 0.64411154877154 22.990 > 2 5 Na 0.71937152976012 0.85968576488006 0.30636693392900 22.990 > 3 6 Na 0.71937152976012 0.85968576488006 0.80636693392900 22.990 > 3 7 Na 0.07534933661727 0.53767466830863 0.14411154877154 22.990 > 4 8 Na 0.07534933661727 0.53767466830863 0.64411154877154 22.990 > 4 9 Na 0.46232533169137 0.53767466830863 0.14411154877154 22.990 > 5 10 Na 0.46232533169137 0.53767466830863 0.64411154877154 22.990 > 5 11 Na 0.85968576488006 0.71937152976012 0.05636693392900 22.990 > 6 12 Na 0.85968576488006 0.71937152976012 0.55636693392900 22.990 > 6 13 Na 0.14031423511994 0.28062847023988 0.30636693392900 22.990 > 7 14 Na 0.14031423511994 0.28062847023988 0.80636693392900 22.990 > 7 15 Na 0.53767466830863 0.46232533169137 0.39411154877154 22.990 > 8 16 Na 0.53767466830863 0.46232533169137 0.89411154877154 22.990 > 8 17 Na 0.92465066338273 0.46232533169137 0.39411154877154 22.990 > 9 18 Na 0.92465066338273 0.46232533169137 0.89411154877154 22.990 > 9 19 Na 0.28062847023988 0.14031423511994 0.05636693392900 22.990 > 10 20 Na 0.28062847023988 0.14031423511994 0.55636693392900 22.990 > 10 21 Na 0.53767466830863 0.07534933661727 0.39411154877154 22.990 > 11 22 Na 0.53767466830863 0.07534933661727 0.89411154877154 22.990 > 11 23 Na 0.85968576488006 0.14031423511994 0.05636693392900 22.990 > 12 24 Na 0.85968576488006 0.14031423511994 0.55636693392900 22.990 > 12 *25 Mg 0.33333333333333 0.66666666666667 0.44559294479998 24.305 > 13 26 Mg 0.33333333333333 0.66666666666667 0.94559294479998 24.305 > 13 27 Mg 0.66666666666667 0.33333333333333 0.19559294479998 24.305 > 14 28 Mg 0.66666666666667 0.33333333333333 0.69559294479998 24.305 > 14 *29 O 0.19044716294477 0.80955283705523 0.00136242464452 15.999 > 15 30 O 0.19044716294477 0.80955283705523 0.50136242464452 15.999 > 15 *31 O 0.33333333333333 0.66666666666667 0.27850762316482 15.999 > 16 32 O 0.33333333333333 0.66666666666667 0.77850762316482 15.999 > 16 33 O 0.61910567411045 0.80955283705523 0.00136242464452 15.999 > 17 34 O 0.61910567411045 0.80955283705523 0.50136242464452 15.999 > 17 35 O 0.19044716294477 0.38089432588955 0.00136242464452 15.999 > 18 36 O 0.19044716294477 0.38089432588955 0.50136242464452 15.999 > 18 37 O 0.80955283705523 0.61910567411045 0.25136242464452 15.999 > 19 38 O 0.80955283705523 0.61910567411045 0.75136242464452 15.999 > 19 39 O 0.66666666666667 0.33333333333333 0.02850762316482 15.999 > 20 40 O 0.66666666666667 0.33333333333333 0.52850762316482 15.999 > 20 41 O 0.38089432588955 0.19044716294477 0.25136242464452 15.999 > 21 42 O 0.38089432588955 0.19044716294477 0.75136242464452 15.999 > 21 43 O 0.80955283705523 0.19044716294477 0.25136242464452 15.999 > 22 44 O 0.80955283705523 0.19044716294477 0.75136242464452 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1584357 0.0000000 0.0000000 0.0000000 3.1584357 0.0000000 0.0000000 0.0000000 3.1411655 -------------------------- Born effective charges -------------------------- 1 Na 0.9542743 0.0117102 0.0055680 0.0117102 0.9677960 -0.0032147 0.0186129 -0.0107462 0.9482836 2 Na 0.8617205 0.0000000 -0.0000000 0.0000000 1.0496342 0.0413242 0.0000000 0.0581639 0.9810974 3 Na 0.9542743 -0.0117102 -0.0055680 -0.0117102 0.9677960 -0.0032147 -0.0186129 -0.0107462 0.9482836 4 Na 1.0026558 0.0813690 -0.0357878 0.0813690 0.9086989 -0.0206621 -0.0503714 -0.0290820 0.9810974 5 Na 1.0026558 -0.0813690 0.0357878 -0.0813690 0.9086989 -0.0206621 0.0503714 -0.0290820 0.9810974 6 Na 0.9745569 0.0000000 0.0000000 0.0000000 0.9475134 -0.0064293 0.0000000 -0.0214923 0.9482836 7 Na 0.9745569 0.0000000 -0.0000000 0.0000000 0.9475134 0.0064293 0.0000000 0.0214923 0.9482836 8 Na 1.0026558 -0.0813690 -0.0357878 -0.0813690 0.9086989 0.0206621 -0.0503714 0.0290820 0.9810974 9 Na 1.0026558 0.0813690 0.0357878 0.0813690 0.9086989 0.0206621 0.0503714 0.0290820 0.9810974 10 Na 0.9542743 -0.0117102 0.0055680 -0.0117102 0.9677960 0.0032147 0.0186129 0.0107462 0.9482836 11 Na 0.8617205 0.0000000 0.0000000 0.0000000 1.0496342 -0.0413242 0.0000000 -0.0581639 0.9810974 12 Na 0.9542743 0.0117102 -0.0055680 0.0117102 0.9677960 0.0032147 -0.0186129 0.0107462 0.9482836 13 Mg 1.5178156 0.0000000 0.0000000 0.0000000 1.5178156 0.0000000 0.0000000 0.0000000 1.5013997 14 Mg 1.5178156 0.0000000 0.0000000 0.0000000 1.5178156 0.0000000 0.0000000 0.0000000 1.5013997 15 O -1.8906485 0.0602387 0.1055710 0.0602387 -1.8210908 -0.0609515 0.0701764 -0.0405164 -1.7446146 16 O -1.7003440 -0.0000000 0.0000000 0.0000000 -1.7003440 0.0000000 0.0000000 0.0000000 -2.0556986 17 O -1.8906485 -0.0602387 -0.1055710 -0.0602387 -1.8210908 -0.0609515 -0.0701764 -0.0405164 -1.7446146 18 O -1.7863120 -0.0000000 -0.0000000 0.0000000 -1.9254274 0.1219029 0.0000000 0.0810328 -1.7446146 19 O -1.7863120 -0.0000000 0.0000000 0.0000000 -1.9254274 -0.1219029 0.0000000 -0.0810328 -1.7446146 20 O -1.7003440 -0.0000000 0.0000000 0.0000000 -1.7003440 0.0000000 0.0000000 0.0000000 -2.0556986 21 O -1.8906485 -0.0602387 0.1055710 -0.0602387 -1.8210908 0.0609515 0.0701764 0.0405164 -1.7446146 22 O -1.8906485 0.0602387 -0.1055710 0.0602387 -1.8210908 0.0609515 -0.0701764 0.0405164 -1.7446146 ---------------------------------------------------------------------------- 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: 132/132 Permutation basis: 4422/4422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 410 Number of blocks in projector: 288 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: 178 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 76 Use standard eigh solver. Tree of FC basis block matrices: - (410, 391), data: False |-- (76, 71), data: True |-- (156, 150), data: True |-- (178, 170), data: True ----- Solver_atoms: 1 -- 44 / 44 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.114 Solver_block: 200 / 240 - Time: 0.132 Solver_block: 240 / 240 - Time: 0.063 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.313 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 132/132 Permutation basis: 4422/4422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 410 Number of blocks in projector: 288 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: 178 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 76 Use standard eigh solver. Tree of FC basis block matrices: - (410, 391), data: False |-- (76, 71), data: True |-- (156, 150), data: True |-- (178, 170), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:14:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:14:24]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.587966199022399 0.000000000000000 0.000000000000000 b -3.793983099511200 6.571371491411045 0.000000000000000 c 0.000000000000000 0.000000000000000 5.856626550000000 Atomic positions (fractional): 1 Na 0.14031423511994 0.85968576488006 0.61273386785799 22.990 2 Na 0.46232533169137 0.92465066338273 0.28822309754309 22.990 3 Na 0.71937152976012 0.85968576488006 0.61273386785799 22.990 4 Na 0.07534933661727 0.53767466830863 0.28822309754309 22.990 5 Na 0.46232533169137 0.53767466830863 0.28822309754309 22.990 6 Na 0.85968576488006 0.71937152976012 0.11273386785799 22.990 7 Na 0.14031423511994 0.28062847023988 0.61273386785799 22.990 8 Na 0.53767466830863 0.46232533169137 0.78822309754309 22.990 9 Na 0.92465066338273 0.46232533169137 0.78822309754309 22.990 10 Na 0.28062847023988 0.14031423511994 0.11273386785799 22.990 11 Na 0.53767466830863 0.07534933661727 0.78822309754309 22.990 12 Na 0.85968576488006 0.14031423511994 0.11273386785799 22.990 13 Mg 0.33333333333333 0.66666666666667 0.89118588959997 24.305 14 Mg 0.66666666666667 0.33333333333333 0.39118588959997 24.305 15 O 0.19044716294477 0.80955283705523 0.00272484928904 15.999 16 O 0.33333333333333 0.66666666666667 0.55701524632965 15.999 17 O 0.61910567411045 0.80955283705523 0.00272484928904 15.999 18 O 0.19044716294477 0.38089432588955 0.00272484928904 15.999 19 O 0.80955283705523 0.61910567411045 0.50272484928905 15.999 20 O 0.66666666666667 0.33333333333333 0.05701524632965 15.999 21 O 0.38089432588955 0.19044716294477 0.50272484928905 15.999 22 O 0.80955283705523 0.19044716294477 0.50272484928905 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.587966199022399 0.000000000000000 0.000000000000000 b -3.793983099511200 6.571371491411045 0.000000000000000 c 0.000000000000000 0.000000000000000 11.713253099999999 Atomic positions (fractional): 1 Na 0.14031423511994 0.85968576488006 0.30636693392900 22.990 > 1 2 Na 0.14031423511994 0.85968576488006 0.80636693392900 22.990 > 1 3 Na 0.46232533169137 0.92465066338273 0.14411154877154 22.990 > 3 4 Na 0.46232533169137 0.92465066338273 0.64411154877154 22.990 > 3 5 Na 0.71937152976012 0.85968576488006 0.30636693392900 22.990 > 5 6 Na 0.71937152976012 0.85968576488006 0.80636693392900 22.990 > 5 7 Na 0.07534933661727 0.53767466830863 0.14411154877154 22.990 > 7 8 Na 0.07534933661727 0.53767466830863 0.64411154877154 22.990 > 7 9 Na 0.46232533169137 0.53767466830863 0.14411154877154 22.990 > 9 10 Na 0.46232533169137 0.53767466830863 0.64411154877154 22.990 > 9 11 Na 0.85968576488006 0.71937152976012 0.05636693392900 22.990 > 11 12 Na 0.85968576488006 0.71937152976012 0.55636693392900 22.990 > 11 13 Na 0.14031423511994 0.28062847023988 0.30636693392900 22.990 > 13 14 Na 0.14031423511994 0.28062847023988 0.80636693392900 22.990 > 13 15 Na 0.53767466830863 0.46232533169137 0.39411154877154 22.990 > 15 16 Na 0.53767466830863 0.46232533169137 0.89411154877154 22.990 > 15 17 Na 0.92465066338273 0.46232533169137 0.39411154877154 22.990 > 17 18 Na 0.92465066338273 0.46232533169137 0.89411154877154 22.990 > 17 19 Na 0.28062847023988 0.14031423511994 0.05636693392900 22.990 > 19 20 Na 0.28062847023988 0.14031423511994 0.55636693392900 22.990 > 19 21 Na 0.53767466830863 0.07534933661727 0.39411154877154 22.990 > 21 22 Na 0.53767466830863 0.07534933661727 0.89411154877154 22.990 > 21 23 Na 0.85968576488006 0.14031423511994 0.05636693392900 22.990 > 23 24 Na 0.85968576488006 0.14031423511994 0.55636693392900 22.990 > 23 25 Mg 0.33333333333333 0.66666666666667 0.44559294479998 24.305 > 25 26 Mg 0.33333333333333 0.66666666666667 0.94559294479998 24.305 > 25 27 Mg 0.66666666666667 0.33333333333333 0.19559294479998 24.305 > 27 28 Mg 0.66666666666667 0.33333333333333 0.69559294479998 24.305 > 27 29 O 0.19044716294477 0.80955283705523 0.00136242464452 15.999 > 29 30 O 0.19044716294477 0.80955283705523 0.50136242464452 15.999 > 29 31 O 0.33333333333333 0.66666666666667 0.27850762316482 15.999 > 31 32 O 0.33333333333333 0.66666666666667 0.77850762316482 15.999 > 31 33 O 0.61910567411045 0.80955283705523 0.00136242464452 15.999 > 33 34 O 0.61910567411045 0.80955283705523 0.50136242464452 15.999 > 33 35 O 0.19044716294477 0.38089432588955 0.00136242464452 15.999 > 35 36 O 0.19044716294477 0.38089432588955 0.50136242464452 15.999 > 35 37 O 0.80955283705523 0.61910567411045 0.25136242464452 15.999 > 37 38 O 0.80955283705523 0.61910567411045 0.75136242464452 15.999 > 37 39 O 0.66666666666667 0.33333333333333 0.02850762316482 15.999 > 39 40 O 0.66666666666667 0.33333333333333 0.52850762316482 15.999 > 39 41 O 0.38089432588955 0.19044716294477 0.25136242464452 15.999 > 41 42 O 0.38089432588955 0.19044716294477 0.75136242464452 15.999 > 41 43 O 0.80955283705523 0.19044716294477 0.25136242464452 15.999 > 43 44 O 0.80955283705523 0.19044716294477 0.75136242464452 15.999 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1584357 0.0000000 0.0000000 0.0000000 3.1584357 0.0000000 0.0000000 0.0000000 3.1411655 -------------------------- Born effective charges -------------------------- 1 Na 0.9542743 0.0117102 0.0055680 0.0117102 0.9677960 -0.0032147 0.0186129 -0.0107462 0.9482836 2 Na 0.8617205 0.0000000 -0.0000000 0.0000000 1.0496342 0.0413242 0.0000000 0.0581639 0.9810974 3 Na 0.9542743 -0.0117102 -0.0055680 -0.0117102 0.9677960 -0.0032147 -0.0186129 -0.0107462 0.9482836 4 Na 1.0026558 0.0813690 -0.0357878 0.0813690 0.9086989 -0.0206621 -0.0503714 -0.0290820 0.9810974 5 Na 1.0026558 -0.0813690 0.0357878 -0.0813690 0.9086989 -0.0206621 0.0503714 -0.0290820 0.9810974 6 Na 0.9745569 0.0000000 0.0000000 0.0000000 0.9475134 -0.0064293 0.0000000 -0.0214923 0.9482836 7 Na 0.9745569 0.0000000 -0.0000000 0.0000000 0.9475134 0.0064293 0.0000000 0.0214923 0.9482836 8 Na 1.0026558 -0.0813690 -0.0357878 -0.0813690 0.9086989 0.0206621 -0.0503714 0.0290820 0.9810974 9 Na 1.0026558 0.0813690 0.0357878 0.0813690 0.9086989 0.0206621 0.0503714 0.0290820 0.9810974 10 Na 0.9542743 -0.0117102 0.0055680 -0.0117102 0.9677960 0.0032147 0.0186129 0.0107462 0.9482836 11 Na 0.8617205 0.0000000 0.0000000 0.0000000 1.0496342 -0.0413242 0.0000000 -0.0581639 0.9810974 12 Na 0.9542743 0.0117102 -0.0055680 0.0117102 0.9677960 0.0032147 -0.0186129 0.0107462 0.9482836 13 Mg 1.5178156 0.0000000 0.0000000 0.0000000 1.5178156 0.0000000 0.0000000 0.0000000 1.5013997 14 Mg 1.5178156 0.0000000 0.0000000 0.0000000 1.5178156 0.0000000 0.0000000 0.0000000 1.5013997 15 O -1.8906485 0.0602387 0.1055710 0.0602387 -1.8210908 -0.0609515 0.0701764 -0.0405164 -1.7446146 16 O -1.7003440 -0.0000000 0.0000000 0.0000000 -1.7003440 0.0000000 0.0000000 0.0000000 -2.0556986 17 O -1.8906485 -0.0602387 -0.1055710 -0.0602387 -1.8210908 -0.0609515 -0.0701764 -0.0405164 -1.7446146 18 O -1.7863120 -0.0000000 -0.0000000 0.0000000 -1.9254274 0.1219029 0.0000000 0.0810328 -1.7446146 19 O -1.7863120 -0.0000000 0.0000000 0.0000000 -1.9254274 -0.1219029 0.0000000 -0.0810328 -1.7446146 20 O -1.7003440 -0.0000000 0.0000000 0.0000000 -1.7003440 0.0000000 0.0000000 0.0000000 -2.0556986 21 O -1.8906485 -0.0602387 0.1055710 -0.0602387 -1.8210908 0.0609515 0.0701764 0.0405164 -1.7446146 22 O -1.8906485 0.0602387 -0.1055710 0.0602387 -1.8210908 0.0609515 -0.0701764 0.0405164 -1.7446146 ---------------------------------------------------------------------------- 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[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, 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[ 29, 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[ 31, 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: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (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 23:14:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:14:28]------------------------- 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: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.587966199022399 0.000000000000000 0.000000000000000 b -3.793983099511200 6.571371491411045 0.000000000000000 c 0.000000000000000 0.000000000000000 5.856626550000000 Atomic positions (fractional): 1 Na 0.14031423511994 0.85968576488006 0.61273386785799 22.990 2 Na 0.46232533169137 0.92465066338273 0.28822309754309 22.990 3 Na 0.71937152976012 0.85968576488006 0.61273386785799 22.990 4 Na 0.07534933661727 0.53767466830863 0.28822309754309 22.990 5 Na 0.46232533169137 0.53767466830863 0.28822309754309 22.990 6 Na 0.85968576488006 0.71937152976012 0.11273386785799 22.990 7 Na 0.14031423511994 0.28062847023988 0.61273386785799 22.990 8 Na 0.53767466830863 0.46232533169137 0.78822309754309 22.990 9 Na 0.92465066338273 0.46232533169137 0.78822309754309 22.990 10 Na 0.28062847023988 0.14031423511994 0.11273386785799 22.990 11 Na 0.53767466830863 0.07534933661727 0.78822309754309 22.990 12 Na 0.85968576488006 0.14031423511994 0.11273386785799 22.990 13 Mg 0.33333333333333 0.66666666666667 0.89118588959997 24.305 14 Mg 0.66666666666667 0.33333333333333 0.39118588959997 24.305 15 O 0.19044716294477 0.80955283705523 0.00272484928904 15.999 16 O 0.33333333333333 0.66666666666667 0.55701524632965 15.999 17 O 0.61910567411045 0.80955283705523 0.00272484928904 15.999 18 O 0.19044716294477 0.38089432588955 0.00272484928904 15.999 19 O 0.80955283705523 0.61910567411045 0.50272484928905 15.999 20 O 0.66666666666667 0.33333333333333 0.05701524632965 15.999 21 O 0.38089432588955 0.19044716294477 0.50272484928905 15.999 22 O 0.80955283705523 0.19044716294477 0.50272484928905 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.587966199022399 0.000000000000000 0.000000000000000 b -3.793983099511200 6.571371491411045 0.000000000000000 c 0.000000000000000 0.000000000000000 11.713253099999999 Atomic positions (fractional): 1 Na 0.14031423511994 0.85968576488006 0.30636693392900 22.990 > 1 2 Na 0.14031423511994 0.85968576488006 0.80636693392900 22.990 > 1 3 Na 0.46232533169137 0.92465066338273 0.14411154877154 22.990 > 3 4 Na 0.46232533169137 0.92465066338273 0.64411154877154 22.990 > 3 5 Na 0.71937152976012 0.85968576488006 0.30636693392900 22.990 > 5 6 Na 0.71937152976012 0.85968576488006 0.80636693392900 22.990 > 5 7 Na 0.07534933661727 0.53767466830863 0.14411154877154 22.990 > 7 8 Na 0.07534933661727 0.53767466830863 0.64411154877154 22.990 > 7 9 Na 0.46232533169137 0.53767466830863 0.14411154877154 22.990 > 9 10 Na 0.46232533169137 0.53767466830863 0.64411154877154 22.990 > 9 11 Na 0.85968576488006 0.71937152976012 0.05636693392900 22.990 > 11 12 Na 0.85968576488006 0.71937152976012 0.55636693392900 22.990 > 11 13 Na 0.14031423511994 0.28062847023988 0.30636693392900 22.990 > 13 14 Na 0.14031423511994 0.28062847023988 0.80636693392900 22.990 > 13 15 Na 0.53767466830863 0.46232533169137 0.39411154877154 22.990 > 15 16 Na 0.53767466830863 0.46232533169137 0.89411154877154 22.990 > 15 17 Na 0.92465066338273 0.46232533169137 0.39411154877154 22.990 > 17 18 Na 0.92465066338273 0.46232533169137 0.89411154877154 22.990 > 17 19 Na 0.28062847023988 0.14031423511994 0.05636693392900 22.990 > 19 20 Na 0.28062847023988 0.14031423511994 0.55636693392900 22.990 > 19 21 Na 0.53767466830863 0.07534933661727 0.39411154877154 22.990 > 21 22 Na 0.53767466830863 0.07534933661727 0.89411154877154 22.990 > 21 23 Na 0.85968576488006 0.14031423511994 0.05636693392900 22.990 > 23 24 Na 0.85968576488006 0.14031423511994 0.55636693392900 22.990 > 23 25 Mg 0.33333333333333 0.66666666666667 0.44559294479998 24.305 > 25 26 Mg 0.33333333333333 0.66666666666667 0.94559294479998 24.305 > 25 27 Mg 0.66666666666667 0.33333333333333 0.19559294479998 24.305 > 27 28 Mg 0.66666666666667 0.33333333333333 0.69559294479998 24.305 > 27 29 O 0.19044716294477 0.80955283705523 0.00136242464452 15.999 > 29 30 O 0.19044716294477 0.80955283705523 0.50136242464452 15.999 > 29 31 O 0.33333333333333 0.66666666666667 0.27850762316482 15.999 > 31 32 O 0.33333333333333 0.66666666666667 0.77850762316482 15.999 > 31 33 O 0.61910567411045 0.80955283705523 0.00136242464452 15.999 > 33 34 O 0.61910567411045 0.80955283705523 0.50136242464452 15.999 > 33 35 O 0.19044716294477 0.38089432588955 0.00136242464452 15.999 > 35 36 O 0.19044716294477 0.38089432588955 0.50136242464452 15.999 > 35 37 O 0.80955283705523 0.61910567411045 0.25136242464452 15.999 > 37 38 O 0.80955283705523 0.61910567411045 0.75136242464452 15.999 > 37 39 O 0.66666666666667 0.33333333333333 0.02850762316482 15.999 > 39 40 O 0.66666666666667 0.33333333333333 0.52850762316482 15.999 > 39 41 O 0.38089432588955 0.19044716294477 0.25136242464452 15.999 > 41 42 O 0.38089432588955 0.19044716294477 0.75136242464452 15.999 > 41 43 O 0.80955283705523 0.19044716294477 0.25136242464452 15.999 > 43 44 O 0.80955283705523 0.19044716294477 0.75136242464452 15.999 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1584357 0.0000000 0.0000000 0.0000000 3.1584357 0.0000000 0.0000000 0.0000000 3.1411655 -------------------------- Born effective charges -------------------------- 1 Na 0.9542743 0.0117102 0.0055680 0.0117102 0.9677960 -0.0032147 0.0186129 -0.0107462 0.9482836 2 Na 0.8617205 0.0000000 -0.0000000 0.0000000 1.0496342 0.0413242 0.0000000 0.0581639 0.9810974 3 Na 0.9542743 -0.0117102 -0.0055680 -0.0117102 0.9677960 -0.0032147 -0.0186129 -0.0107462 0.9482836 4 Na 1.0026558 0.0813690 -0.0357878 0.0813690 0.9086989 -0.0206621 -0.0503714 -0.0290820 0.9810974 5 Na 1.0026558 -0.0813690 0.0357878 -0.0813690 0.9086989 -0.0206621 0.0503714 -0.0290820 0.9810974 6 Na 0.9745569 0.0000000 0.0000000 0.0000000 0.9475134 -0.0064293 0.0000000 -0.0214923 0.9482836 7 Na 0.9745569 0.0000000 -0.0000000 0.0000000 0.9475134 0.0064293 0.0000000 0.0214923 0.9482836 8 Na 1.0026558 -0.0813690 -0.0357878 -0.0813690 0.9086989 0.0206621 -0.0503714 0.0290820 0.9810974 9 Na 1.0026558 0.0813690 0.0357878 0.0813690 0.9086989 0.0206621 0.0503714 0.0290820 0.9810974 10 Na 0.9542743 -0.0117102 0.0055680 -0.0117102 0.9677960 0.0032147 0.0186129 0.0107462 0.9482836 11 Na 0.8617205 0.0000000 0.0000000 0.0000000 1.0496342 -0.0413242 0.0000000 -0.0581639 0.9810974 12 Na 0.9542743 0.0117102 -0.0055680 0.0117102 0.9677960 0.0032147 -0.0186129 0.0107462 0.9482836 13 Mg 1.5178156 0.0000000 0.0000000 0.0000000 1.5178156 0.0000000 0.0000000 0.0000000 1.5013997 14 Mg 1.5178156 0.0000000 0.0000000 0.0000000 1.5178156 0.0000000 0.0000000 0.0000000 1.5013997 15 O -1.8906485 0.0602387 0.1055710 0.0602387 -1.8210908 -0.0609515 0.0701764 -0.0405164 -1.7446146 16 O -1.7003440 -0.0000000 0.0000000 0.0000000 -1.7003440 0.0000000 0.0000000 0.0000000 -2.0556986 17 O -1.8906485 -0.0602387 -0.1055710 -0.0602387 -1.8210908 -0.0609515 -0.0701764 -0.0405164 -1.7446146 18 O -1.7863120 -0.0000000 -0.0000000 0.0000000 -1.9254274 0.1219029 0.0000000 0.0810328 -1.7446146 19 O -1.7863120 -0.0000000 0.0000000 0.0000000 -1.9254274 -0.1219029 0.0000000 -0.0810328 -1.7446146 20 O -1.7003440 -0.0000000 0.0000000 0.0000000 -1.7003440 0.0000000 0.0000000 0.0000000 -2.0556986 21 O -1.8906485 -0.0602387 0.1055710 -0.0602387 -1.8210908 0.0609515 0.0701764 0.0405164 -1.7446146 22 O -1.8906485 0.0602387 -0.1055710 0.0602387 -1.8210908 0.0609515 -0.0701764 0.0405164 -1.7446146 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (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 ... [ 8 8 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 283, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 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 2.874 ( 0.000 0.000 -0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.289 ( -0.000 0.000 0.000) 0.000 3.584 ( 0.000 -0.000 0.000) 0.000 3.659 ( -0.000 -0.000 0.000) 0.000 3.659 ( 0.000 -0.000 -0.000) 0.000 3.896 ( 0.000 0.000 -0.000) 0.000 3.896 ( -0.000 0.000 0.000) 0.000 4.411 ( 0.000 -0.000 0.000) 0.000 4.447 ( 0.000 0.000 -0.000) 0.000 4.447 ( 0.000 -0.000 -0.000) 0.000 4.879 ( 0.000 -0.000 -0.000) 0.000 4.888 ( 0.000 -0.000 -0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 5.179 ( -0.000 -0.000 0.000) 0.000 5.246 ( -0.000 -0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.395 ( -0.000 -0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 -0.000 0.000) 0.000 5.565 ( 0.000 -0.000 -0.000) 0.000 5.565 ( -0.000 -0.000 -0.000) 0.000 6.136 ( -0.000 0.000 0.000) 0.000 6.235 ( -0.000 0.000 0.000) 0.000 6.235 ( -0.000 0.000 0.000) 0.000 6.913 ( 0.000 -0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 6.957 ( -0.000 -0.000 -0.000) 0.000 6.957 ( 0.000 -0.000 -0.000) 0.000 7.150 ( 0.000 -0.000 -0.000) 0.000 7.150 ( -0.000 -0.000 0.000) 0.000 7.285 ( 0.000 0.000 -0.000) 0.000 7.495 ( -0.000 0.000 0.000) 0.000 7.495 ( 0.000 -0.000 -0.000) 0.000 7.617 ( 0.000 0.000 -0.000) 0.000 7.617 ( 0.000 -0.000 -0.000) 0.000 7.906 ( 0.000 -0.000 -0.000) 0.000 7.906 ( 0.000 -0.000 0.000) 0.000 7.963 ( -0.000 -0.000 -0.000) 0.000 8.132 ( 0.000 -0.000 -0.000) 0.000 8.219 ( 0.000 -0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 -0.000 0.000) 0.000 8.838 ( 0.000 -0.000 0.000) 0.000 8.838 ( 0.000 -0.000 0.000) 0.000 9.336 ( -0.000 -0.000 0.000) 0.000 9.720 ( 0.000 -0.000 -0.000) 0.000 9.720 ( 0.000 0.000 0.000) 0.000 10.186 ( 0.000 -0.000 -0.000) 0.000 10.186 ( 0.000 -0.000 -0.000) 0.000 10.744 ( -0.000 -0.000 0.000) 0.000 11.421 ( 0.000 -0.000 -0.000) 0.000 11.983 ( 0.000 0.000 0.000) 0.000 11.983 ( 0.000 -0.000 0.000) 0.000 14.786 ( 0.000 0.000 0.000) 0.000 14.786 ( 0.000 0.000 -0.000) 0.000 14.912 ( 0.000 -0.000 -0.000) 0.000 15.007 ( 0.000 -0.000 0.000) 0.000 15.263 ( 0.000 -0.000 0.000) 0.000 15.263 ( 0.000 -0.000 -0.000) 0.000 16.153 ( -0.000 -0.000 0.000) 0.000 16.209 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 22.726 13.121 0.000) 26.241 0.714 ( 32.210 18.596 0.000) 37.193 1.131 ( 50.656 29.246 0.000) 58.492 2.912 ( 2.722 1.572 0.000) 3.144 3.265 ( -2.709 -1.564 0.000) 3.129 3.309 ( 1.319 0.762 0.000) 1.524 3.509 ( -6.150 -3.551 0.000) 7.101 3.678 ( 1.874 1.082 0.000) 2.164 3.685 ( 2.003 1.156 0.000) 2.313 3.802 ( -6.218 -3.590 0.000) 7.180 4.053 ( -7.223 -4.170 0.000) 8.341 4.361 ( -4.084 -2.358 0.000) 4.716 4.402 ( -3.700 -2.136 0.000) 4.272 4.498 ( 6.086 3.514 0.000) 7.027 4.732 ( -10.634 -6.139 0.000) 12.279 4.829 ( -5.253 -3.033 0.000) 6.066 4.911 ( 1.690 0.976 0.000) 1.951 5.140 ( -2.987 -1.724 0.000) 3.449 5.194 ( -4.054 -2.341 0.000) 4.681 5.287 ( 3.063 1.768 0.000) 3.537 5.437 ( 1.785 1.031 0.000) 2.062 5.480 ( 4.340 2.506 0.000) 5.012 5.567 ( 12.354 7.132 0.000) 14.265 5.680 ( 9.521 5.497 0.000) 10.994 5.802 ( 15.368 8.873 0.000) 17.745 6.086 ( -3.548 -2.049 0.000) 4.097 6.180 ( -4.994 -2.883 0.000) 5.767 6.569 ( 0.752 0.434 0.000) 0.868 6.858 ( -3.084 -1.781 0.000) 3.561 6.870 ( -4.352 -2.513 0.000) 5.025 6.946 ( -2.906 -1.678 0.000) 3.356 7.014 ( 2.587 1.494 0.000) 2.987 7.155 ( -6.255 -3.611 0.000) 7.222 7.166 ( 1.486 0.858 0.000) 1.716 7.362 ( -0.267 -0.154 0.000) 0.309 7.489 ( -1.616 -0.933 0.000) 1.866 7.523 ( 2.548 1.471 0.000) 2.942 7.597 ( -1.212 -0.700 0.000) 1.400 7.793 ( -6.550 -3.782 0.000) 7.564 7.921 ( 1.068 0.617 0.000) 1.234 7.922 ( -3.437 -1.984 0.000) 3.969 8.158 ( 1.617 0.934 0.000) 1.867 8.200 ( -2.024 -1.169 0.000) 2.337 8.238 ( 2.344 1.353 0.000) 2.706 8.305 ( 10.217 5.899 0.000) 11.798 8.308 ( 2.012 1.162 0.000) 2.324 8.811 ( -2.077 -1.199 0.000) 2.398 8.905 ( 5.234 3.022 0.000) 6.044 9.310 ( -3.015 -1.741 0.000) 3.481 9.335 ( -1.115 -0.644 0.000) 1.287 9.660 ( -5.409 -3.123 0.000) 6.246 10.188 ( -1.514 -0.874 0.000) 1.748 10.223 ( 3.204 1.850 0.000) 3.700 10.663 ( -2.727 -1.575 0.000) 3.149 10.858 ( 3.286 1.897 0.000) 3.794 11.393 ( -2.371 -1.369 0.000) 2.738 11.950 ( -2.886 -1.666 0.000) 3.332 11.979 ( -0.764 -0.441 0.000) 0.882 14.781 ( -0.474 -0.274 0.000) 0.548 14.803 ( 1.479 0.854 0.000) 1.708 14.935 ( 2.057 1.187 0.000) 2.375 15.029 ( 1.914 1.105 0.000) 2.210 15.257 ( -0.580 -0.335 0.000) 0.670 16.153 ( -0.027 -0.015 0.000) 0.031 16.205 ( -0.338 -0.195 0.000) 0.391 16.883 ( -2.782 -1.606 0.000) 3.213 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 21.144 12.208 0.000) 24.415 1.395 ( 29.439 16.996 0.000) 33.993 2.209 ( 46.758 26.996 0.000) 53.991 2.920 ( -4.260 -2.460 0.000) 4.919 3.158 ( -6.300 -3.637 0.000) 7.274 3.326 ( 0.083 0.048 0.000) 0.096 3.406 ( -1.107 -0.639 0.000) 1.278 3.638 ( -4.753 -2.744 0.000) 5.488 3.689 ( -4.339 -2.505 0.000) 5.011 3.783 ( 3.748 2.164 0.000) 4.328 3.834 ( -9.183 -5.302 0.000) 10.603 4.302 ( -4.410 -2.546 0.000) 5.093 4.342 ( 1.316 0.760 0.000) 1.519 4.531 ( -6.004 -3.467 0.000) 6.933 4.636 ( 6.208 3.584 0.000) 7.168 4.709 ( -5.126 -2.960 0.000) 5.920 4.938 ( 0.186 0.107 0.000) 0.214 5.071 ( -3.016 -1.741 0.000) 3.482 5.109 ( -3.278 -1.893 0.000) 3.785 5.342 ( 1.707 0.986 0.000) 1.972 5.476 ( 1.213 0.701 0.000) 1.401 5.592 ( 3.724 2.150 0.000) 4.300 5.833 ( -2.592 -1.496 0.000) 2.993 5.907 ( 7.807 4.507 0.000) 9.014 5.917 ( 8.575 4.951 0.000) 9.901 6.081 ( 1.121 0.647 0.000) 1.295 6.209 ( 11.711 6.761 0.000) 13.522 6.523 ( -6.535 -3.773 0.000) 7.546 6.751 ( -4.613 -2.663 0.000) 5.326 6.787 ( -3.392 -1.958 0.000) 3.916 6.806 ( -7.503 -4.332 0.000) 8.664 7.026 ( -1.755 -1.013 0.000) 2.026 7.161 ( 6.436 3.716 0.000) 7.432 7.203 ( 1.438 0.830 0.000) 1.661 7.338 ( -3.092 -1.785 0.000) 3.570 7.400 ( -3.045 -1.758 0.000) 3.517 7.553 ( -0.533 -0.308 0.000) 0.615 7.609 ( 1.485 0.857 0.000) 1.714 7.749 ( 1.997 1.153 0.000) 2.306 7.824 ( -5.061 -2.922 0.000) 5.844 7.979 ( 5.378 3.105 0.000) 6.210 8.126 ( -4.209 -2.430 0.000) 4.860 8.197 ( 1.927 1.113 0.000) 2.225 8.322 ( 4.346 2.509 0.000) 5.018 8.347 ( 1.755 1.013 0.000) 2.026 8.526 ( 8.815 5.090 0.000) 10.179 8.770 ( -1.329 -0.767 0.000) 1.534 9.016 ( 3.006 1.735 0.000) 3.471 9.227 ( -3.105 -1.793 0.000) 3.586 9.295 ( -2.724 -1.573 0.000) 3.146 9.490 ( -9.723 -5.613 0.000) 11.227 10.038 ( -11.282 -6.513 0.000) 13.027 10.314 ( 4.705 2.717 0.000) 5.433 10.719 ( 6.900 3.984 0.000) 7.967 10.941 ( 4.754 2.745 0.000) 5.489 11.327 ( -3.426 -1.978 0.000) 3.956 11.865 ( -4.481 -2.587 0.000) 5.174 11.928 ( -4.240 -2.448 0.000) 4.896 14.770 ( -0.409 -0.236 0.000) 0.472 14.847 ( 2.365 1.366 0.000) 2.731 14.980 ( 1.478 0.853 0.000) 1.707 15.098 ( 4.389 2.534 0.000) 5.067 15.238 ( -1.116 -0.644 0.000) 1.288 16.153 ( 0.122 0.070 0.000) 0.141 16.195 ( -0.535 -0.309 0.000) 0.618 16.801 ( -4.434 -2.560 0.000) 5.120 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 15.974 9.223 0.000) 18.446 1.978 ( 22.405 12.935 0.000) 25.871 2.732 ( -10.274 -5.932 0.000) 11.864 3.027 ( -5.002 -2.888 0.000) 5.776 3.072 ( 20.979 12.112 0.000) 24.225 3.363 ( 10.877 6.280 0.000) 12.560 3.451 ( 3.067 1.771 0.000) 3.541 3.521 ( -6.370 -3.678 0.000) 7.355 3.564 ( -1.489 -0.859 0.000) 1.719 3.690 ( -4.169 -2.407 0.000) 4.814 3.828 ( -0.839 -0.485 0.000) 0.969 4.283 ( 3.566 2.059 0.000) 4.118 4.348 ( -3.367 -1.944 0.000) 3.887 4.487 ( 1.258 0.726 0.000) 1.453 4.623 ( -2.446 -1.412 0.000) 2.824 4.761 ( 4.976 2.873 0.000) 5.745 4.918 ( -1.477 -0.853 0.000) 1.706 5.024 ( -5.267 -3.041 0.000) 6.081 5.026 ( -0.322 -0.186 0.000) 0.372 5.364 ( -2.125 -1.227 0.000) 2.453 5.420 ( -6.329 -3.654 0.000) 7.308 5.568 ( -4.026 -2.325 0.000) 4.649 5.615 ( -7.923 -4.575 0.000) 9.149 6.040 ( 6.463 3.731 0.000) 7.463 6.174 ( 9.615 5.551 0.000) 11.103 6.302 ( 12.104 6.988 0.000) 13.976 6.334 ( -5.937 -3.428 0.000) 6.856 6.358 ( 0.780 0.450 0.000) 0.900 6.666 ( -4.097 -2.365 0.000) 4.731 6.714 ( -0.255 -0.147 0.000) 0.294 6.719 ( -1.992 -1.150 0.000) 2.300 6.936 ( -6.345 -3.663 0.000) 7.327 7.237 ( 2.085 1.204 0.000) 2.407 7.245 ( -3.119 -1.801 0.000) 3.601 7.370 ( 5.175 2.988 0.000) 5.975 7.437 ( 9.323 5.383 0.000) 10.766 7.517 ( -3.421 -1.975 0.000) 3.950 7.606 ( -0.476 -0.275 0.000) 0.549 7.716 ( -4.269 -2.465 0.000) 4.929 7.810 ( 2.283 1.318 0.000) 2.636 7.981 ( -4.599 -2.655 0.000) 5.310 8.220 ( 11.211 6.473 0.000) 12.945 8.240 ( 1.906 1.100 0.000) 2.201 8.362 ( 0.633 0.366 0.000) 0.731 8.423 ( 3.167 1.829 0.000) 3.657 8.666 ( 3.713 2.144 0.000) 4.287 8.754 ( -0.265 -0.153 0.000) 0.306 8.959 ( -6.479 -3.741 0.000) 7.482 9.183 ( -3.621 -2.091 0.000) 4.181 9.257 ( -10.497 -6.061 0.000) 12.121 9.285 ( 3.865 2.231 0.000) 4.463 9.788 ( -9.679 -5.588 0.000) 11.176 10.411 ( 3.604 2.081 0.000) 4.161 10.869 ( 5.209 3.007 0.000) 6.015 11.085 ( 7.672 4.429 0.000) 8.859 11.258 ( -2.114 -1.221 0.000) 2.441 11.772 ( -3.567 -2.060 0.000) 4.119 11.795 ( -7.284 -4.205 0.000) 8.410 14.767 ( 0.073 0.042 0.000) 0.084 14.898 ( 2.015 1.163 0.000) 2.327 14.997 ( 0.237 0.137 0.000) 0.273 15.198 ( 4.009 2.315 0.000) 4.629 15.211 ( -1.146 -0.662 0.000) 1.323 16.159 ( 0.420 0.242 0.000) 0.485 16.183 ( -0.560 -0.324 0.000) 0.647 16.706 ( -3.665 -2.116 0.000) 4.232 ======================= Grid point 4 (5/50) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -0.000 -0.000 0.000) 0.000 2.266 ( -0.000 -0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 3.904 ( -0.000 -0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.879 ( -0.000 -0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 5.082 ( -0.000 -0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.260 ( 0.000 0.000 0.000) 0.000 6.264 ( 0.000 0.000 0.000) 0.000 6.388 ( -0.000 -0.000 0.000) 0.000 6.453 ( 0.000 0.000 0.000) 0.000 6.617 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 0.000) 0.000 6.758 ( -0.000 -0.000 0.000) 0.000 6.782 ( 0.000 0.000 0.000) 0.000 7.208 ( 0.000 0.000 0.000) 0.000 7.278 ( -0.000 -0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 7.646 ( -0.000 -0.000 0.000) 0.000 7.828 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 8.268 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.445 ( 0.000 0.000 0.000) 0.000 8.696 ( 0.000 0.000 0.000) 0.000 8.753 ( 0.000 0.000 0.000) 0.000 8.864 ( -0.000 -0.000 0.000) 0.000 9.114 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.351 ( 0.000 0.000 0.000) 0.000 9.668 ( 0.000 0.000 0.000) 0.000 10.453 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 11.164 ( 0.000 0.000 0.000) 0.000 11.272 ( 0.000 0.000 0.000) 0.000 11.682 ( 0.000 0.000 0.000) 0.000 11.729 ( 0.000 0.000 0.000) 0.000 14.768 ( 0.000 0.000 0.000) 0.000 14.922 ( 0.000 0.000 0.000) 0.000 14.998 ( 0.000 0.000 0.000) 0.000 15.197 ( 0.000 0.000 0.000) 0.000 15.246 ( 0.000 0.000 0.000) 0.000 16.170 ( -0.000 -0.000 0.000) 0.000 16.171 ( 0.000 0.000 0.000) 0.000 16.662 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 10 (6/50) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 14.961 25.913 0.000) 29.922 1.218 ( 17.472 30.262 0.000) 34.944 1.896 ( 26.263 45.490 0.000) 52.527 2.961 ( 1.529 2.649 0.000) 3.059 3.220 ( -4.970 -8.608 0.000) 9.940 3.263 ( -0.288 -0.499 0.000) 0.577 3.413 ( -3.073 -5.322 0.000) 6.146 3.658 ( -3.919 -6.788 0.000) 7.838 3.717 ( 2.278 3.946 0.000) 4.556 3.757 ( 0.834 1.445 0.000) 1.668 3.978 ( -3.972 -6.880 0.000) 7.945 4.206 ( -2.862 -4.957 0.000) 5.724 4.398 ( -0.942 -1.631 0.000) 1.884 4.573 ( -0.370 -0.641 0.000) 0.741 4.640 ( -5.492 -9.512 0.000) 10.984 4.648 ( 0.262 0.453 0.000) 0.523 4.989 ( 1.845 3.196 0.000) 3.690 5.048 ( -3.370 -5.837 0.000) 6.740 5.173 ( -0.944 -1.635 0.000) 1.888 5.379 ( 3.744 6.486 0.000) 7.489 5.467 ( 2.105 3.647 0.000) 4.211 5.588 ( 3.626 6.280 0.000) 7.251 5.749 ( 1.074 1.860 0.000) 2.148 5.758 ( 5.647 9.781 0.000) 11.294 6.001 ( 2.853 4.942 0.000) 5.707 6.024 ( -1.277 -2.211 0.000) 2.553 6.190 ( 3.749 6.494 0.000) 7.498 6.510 ( -3.677 -6.369 0.000) 7.354 6.748 ( -4.591 -7.952 0.000) 9.182 6.789 ( -3.535 -6.123 0.000) 7.070 6.949 ( 0.166 0.288 0.000) 0.332 7.039 ( 1.759 3.046 0.000) 3.517 7.136 ( 0.972 1.684 0.000) 1.944 7.177 ( -0.001 -0.001 0.000) 0.002 7.343 ( -0.962 -1.666 0.000) 1.924 7.440 ( -1.703 -2.949 0.000) 3.405 7.570 ( 0.536 0.929 0.000) 1.073 7.581 ( 0.872 1.510 0.000) 1.743 7.707 ( -2.367 -4.100 0.000) 4.734 7.829 ( -1.445 -2.503 0.000) 2.891 8.022 ( 2.453 4.249 0.000) 4.907 8.142 ( -0.310 -0.537 0.000) 0.620 8.190 ( -0.383 -0.664 0.000) 0.767 8.295 ( 1.811 3.137 0.000) 3.622 8.337 ( 1.648 2.855 0.000) 3.296 8.473 ( 5.921 10.256 0.000) 11.843 8.763 ( -1.808 -3.132 0.000) 3.616 8.999 ( 3.136 5.432 0.000) 6.272 9.265 ( -2.604 -4.510 0.000) 5.207 9.277 ( -2.195 -3.802 0.000) 4.390 9.558 ( -4.189 -7.255 0.000) 8.377 10.094 ( -5.973 -10.346 0.000) 11.947 10.286 ( 2.591 4.488 0.000) 5.182 10.683 ( 3.100 5.369 0.000) 6.200 10.916 ( 2.398 4.154 0.000) 4.796 11.344 ( -1.989 -3.445 0.000) 3.978 11.902 ( -2.457 -4.256 0.000) 4.915 11.941 ( -1.745 -3.023 0.000) 3.491 14.781 ( 0.149 0.257 0.000) 0.297 14.821 ( 0.462 0.800 0.000) 0.924 14.997 ( 2.883 4.993 0.000) 5.765 15.034 ( -0.140 -0.242 0.000) 0.279 15.263 ( 0.469 0.813 0.000) 0.938 16.153 ( 0.032 0.055 0.000) 0.064 16.198 ( -0.272 -0.471 0.000) 0.544 16.824 ( -2.568 -4.448 0.000) 5.136 ======================= Grid point 11 (7/50) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 10.951 27.785 0.000) 29.866 1.784 ( 19.584 21.933 0.000) 29.404 2.717 ( 27.125 20.543 0.000) 34.027 2.919 ( -9.439 2.532 0.000) 9.773 3.046 ( -2.709 -7.889 0.000) 8.342 3.299 ( 3.822 2.562 0.000) 4.601 3.357 ( 5.844 -5.807 0.000) 8.239 3.541 ( -2.996 -4.787 0.000) 5.647 3.685 ( -11.230 2.174 0.000) 11.439 3.785 ( -3.486 -0.311 0.000) 3.500 3.842 ( -0.751 -0.932 0.000) 1.196 4.189 ( 3.871 -4.920 0.000) 6.260 4.384 ( -0.145 1.218 0.000) 1.227 4.483 ( -2.079 -1.993 0.000) 2.880 4.548 ( 1.466 -5.503 0.000) 5.695 4.739 ( 3.650 4.527 0.000) 5.815 4.938 ( -2.626 -4.409 0.000) 5.131 5.024 ( -1.216 1.413 0.000) 1.864 5.149 ( -1.957 1.950 0.000) 2.763 5.423 ( -5.359 6.049 0.000) 8.082 5.534 ( -4.054 5.853 0.000) 7.120 5.643 ( -4.678 1.789 0.000) 5.009 5.694 ( -5.920 -7.863 0.000) 9.842 5.847 ( 10.826 -8.012 0.000) 13.469 6.061 ( 9.359 2.153 0.000) 9.604 6.145 ( 6.509 6.354 0.000) 9.096 6.282 ( 1.237 -7.084 0.000) 7.191 6.338 ( -2.982 -8.853 0.000) 9.341 6.637 ( -3.041 -4.415 0.000) 5.361 6.704 ( -0.530 -1.103 0.000) 1.223 6.949 ( -5.856 12.794 0.000) 14.070 7.095 ( -5.699 0.801 0.000) 5.755 7.179 ( -0.591 -0.651 0.000) 0.879 7.213 ( 9.795 6.431 0.000) 11.717 7.306 ( 1.536 -3.519 0.000) 3.839 7.429 ( -3.151 4.802 0.000) 5.744 7.515 ( 0.020 -6.648 0.000) 6.648 7.624 ( -0.714 5.160 0.000) 5.209 7.682 ( 5.551 -6.054 0.000) 8.214 7.876 ( -0.556 8.596 0.000) 8.614 8.037 ( -2.462 -0.176 0.000) 2.468 8.139 ( 1.741 2.435 0.000) 2.993 8.219 ( 1.308 2.400 0.000) 2.733 8.330 ( 3.253 -1.173 0.000) 3.458 8.430 ( 1.889 7.126 0.000) 7.372 8.648 ( 4.357 7.087 0.000) 8.319 8.717 ( 0.950 -4.163 0.000) 4.270 9.016 ( -5.071 -4.585 0.000) 6.836 9.172 ( -1.976 -5.939 0.000) 6.259 9.227 ( 1.790 -1.170 0.000) 2.139 9.398 ( -8.167 -4.187 0.000) 9.178 9.835 ( -8.594 -14.268 0.000) 16.656 10.380 ( 3.387 3.996 0.000) 5.239 10.832 ( 5.233 7.217 0.000) 8.915 11.030 ( 5.576 6.949 0.000) 8.910 11.273 ( -2.374 -3.478 0.000) 4.211 11.801 ( -3.823 -4.621 0.000) 5.997 11.852 ( -4.660 -5.088 0.000) 6.900 14.782 ( -0.952 1.469 0.000) 1.750 14.848 ( 3.020 -0.844 0.000) 3.136 15.001 ( -1.540 -1.175 0.000) 1.937 15.125 ( 5.490 3.776 0.000) 6.663 15.277 ( -1.324 3.192 0.000) 3.456 16.156 ( 0.241 0.261 0.000) 0.355 16.188 ( -0.440 -0.387 0.000) 0.587 16.727 ( -3.192 -4.897 0.000) 5.846 ======================= Grid point 12 (8/50) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -0.600 25.266 0.000) 25.273 2.219 ( 11.092 11.364 0.000) 15.880 2.666 ( -9.615 -2.531 0.000) 9.943 2.899 ( -1.726 -7.633 0.000) 7.826 3.174 ( 6.062 4.657 0.000) 7.645 3.349 ( 6.596 -13.155 0.000) 14.716 3.466 ( -2.049 0.464 0.000) 2.101 3.524 ( -4.366 2.899 0.000) 5.241 3.626 ( 6.808 5.226 0.000) 8.583 3.670 ( -2.989 -2.440 0.000) 3.858 3.927 ( 8.944 13.507 0.000) 16.200 4.222 ( 2.686 -6.896 0.000) 7.400 4.330 ( -3.101 -4.016 0.000) 5.074 4.477 ( -1.880 -4.229 0.000) 4.628 4.559 ( 1.625 5.006 0.000) 5.263 4.840 ( 4.206 3.950 0.000) 5.770 4.885 ( 1.126 -3.941 0.000) 4.098 4.975 ( -6.098 -0.373 0.000) 6.109 5.133 ( -3.365 6.202 0.000) 7.056 5.356 ( -14.574 1.539 0.000) 14.655 5.400 ( 0.778 1.717 0.000) 1.885 5.503 ( -6.595 -3.579 0.000) 7.503 5.612 ( -2.777 2.263 0.000) 3.582 5.991 ( 13.145 -8.449 0.000) 15.626 6.106 ( 0.983 -14.245 0.000) 14.279 6.251 ( 5.452 0.463 0.000) 5.471 6.286 ( 5.384 -2.266 0.000) 5.841 6.348 ( 9.189 -6.508 0.000) 11.260 6.540 ( -4.753 -2.876 0.000) 5.555 6.722 ( 0.380 3.365 0.000) 3.386 6.970 ( -9.591 10.737 0.000) 14.396 7.014 ( -5.821 11.412 0.000) 12.810 7.149 ( 0.424 -3.850 0.000) 3.874 7.237 ( -0.255 -3.332 0.000) 3.341 7.328 ( -2.072 -4.153 0.000) 4.641 7.524 ( 8.001 5.541 0.000) 9.733 7.586 ( 4.564 6.624 0.000) 8.044 7.658 ( -0.858 6.335 0.000) 6.393 7.712 ( 3.486 -7.001 0.000) 7.821 7.823 ( -11.564 6.020 0.000) 13.037 8.010 ( -3.514 5.820 0.000) 6.799 8.201 ( 1.828 -3.727 0.000) 4.151 8.335 ( 9.894 5.250 0.000) 11.201 8.388 ( 2.835 1.187 0.000) 3.073 8.485 ( -2.991 3.597 0.000) 4.678 8.714 ( -0.950 -1.836 0.000) 2.068 8.723 ( 0.905 0.888 0.000) 1.268 8.840 ( -3.023 -7.490 0.000) 8.077 9.093 ( 0.746 -5.196 0.000) 5.250 9.198 ( -7.235 -1.340 0.000) 7.358 9.318 ( 2.818 0.693 0.000) 2.902 9.616 ( -1.295 -11.731 0.000) 11.803 10.454 ( 1.268 2.356 0.000) 2.676 10.945 ( 1.203 4.776 0.000) 4.925 11.172 ( 0.169 2.106 0.000) 2.113 11.246 ( 3.920 2.067 0.000) 4.432 11.697 ( -3.824 -4.769 0.000) 6.113 11.730 ( -2.161 -3.129 0.000) 3.803 14.781 ( -0.809 1.422 0.000) 1.636 14.895 ( 3.234 -0.794 0.000) 3.330 14.959 ( -0.269 -4.006 0.000) 4.015 15.230 ( 1.889 4.438 0.000) 4.824 15.275 ( -2.634 3.023 0.000) 4.009 16.166 ( 0.452 0.418 0.000) 0.616 16.177 ( -0.532 -0.249 0.000) 0.587 16.648 ( -0.745 -3.711 0.000) 3.785 ======================= Grid point 19 (9/50) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 14.962 25.915 0.000) 29.924 2.171 ( 10.115 17.520 0.000) 20.230 2.764 ( -7.123 -12.338 0.000) 14.247 2.891 ( 0.759 1.315 0.000) 1.519 3.124 ( -6.280 -10.878 0.000) 12.561 3.145 ( 5.217 9.036 0.000) 10.434 3.489 ( -0.336 -0.582 0.000) 0.672 3.537 ( 5.789 10.027 0.000) 11.578 3.695 ( -3.707 -6.420 0.000) 7.414 3.709 ( -1.486 -2.573 0.000) 2.971 3.885 ( 6.112 10.586 0.000) 12.224 4.118 ( -1.460 -2.529 0.000) 2.920 4.297 ( -3.158 -5.470 0.000) 6.317 4.539 ( -0.464 -0.804 0.000) 0.929 4.585 ( 6.229 10.788 0.000) 12.457 4.810 ( 2.002 3.467 0.000) 4.003 4.838 ( -2.845 -4.927 0.000) 5.689 5.032 ( -1.340 -2.322 0.000) 2.681 5.187 ( 1.645 2.850 0.000) 3.290 5.431 ( -2.741 -4.747 0.000) 5.481 5.528 ( -4.418 -7.652 0.000) 8.835 5.648 ( -1.335 -2.313 0.000) 2.670 5.680 ( -2.942 -5.095 0.000) 5.884 5.691 ( 0.643 1.113 0.000) 1.285 5.985 ( -2.135 -3.698 0.000) 4.270 6.157 ( 0.141 0.245 0.000) 0.283 6.217 ( -0.776 -1.344 0.000) 1.551 6.277 ( 1.645 2.849 0.000) 3.290 6.566 ( -3.159 -5.472 0.000) 6.318 6.746 ( 2.618 4.534 0.000) 5.235 7.071 ( -2.297 -3.978 0.000) 4.593 7.078 ( 0.380 0.658 0.000) 0.759 7.189 ( -2.361 -4.090 0.000) 4.723 7.303 ( 5.304 9.187 0.000) 10.609 7.365 ( 0.757 1.312 0.000) 1.515 7.416 ( 3.032 5.252 0.000) 6.065 7.516 ( -0.588 -1.019 0.000) 1.176 7.639 ( 3.370 5.837 0.000) 6.740 7.751 ( 3.676 6.367 0.000) 7.352 7.953 ( -3.743 -6.483 0.000) 7.486 8.109 ( 6.946 12.031 0.000) 13.893 8.148 ( 0.166 0.287 0.000) 0.331 8.299 ( 0.126 0.219 0.000) 0.253 8.310 ( 2.546 4.410 0.000) 5.093 8.575 ( 3.288 5.696 0.000) 6.577 8.628 ( -2.637 -4.567 0.000) 5.274 8.771 ( 2.920 5.058 0.000) 5.841 8.827 ( -6.617 -11.461 0.000) 13.234 9.053 ( -3.383 -5.860 0.000) 6.766 9.243 ( -0.110 -0.191 0.000) 0.220 9.319 ( -1.813 -3.141 0.000) 3.627 9.549 ( -7.827 -13.556 0.000) 15.653 10.455 ( 2.003 3.469 0.000) 4.006 10.961 ( 3.417 5.919 0.000) 6.834 11.199 ( -2.356 -4.080 0.000) 4.711 11.202 ( 5.802 10.049 0.000) 11.604 11.704 ( -2.747 -4.758 0.000) 5.494 11.738 ( -3.867 -6.697 0.000) 7.733 14.818 ( 0.890 1.542 0.000) 1.780 14.834 ( 0.137 0.237 0.000) 0.273 14.946 ( -2.035 -3.525 0.000) 4.071 15.232 ( 3.323 5.756 0.000) 6.646 15.322 ( 0.679 1.176 0.000) 1.358 16.164 ( 0.297 0.515 0.000) 0.594 16.181 ( -0.208 -0.360 0.000) 0.416 16.633 ( -2.536 -4.392 0.000) 5.072 ======================= Grid point 20 (10/50) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( -12.057 20.884 0.000) 24.114 2.397 ( -3.915 6.780 0.000) 7.829 2.569 ( 3.324 -5.757 0.000) 6.648 2.854 ( -1.145 1.983 0.000) 2.290 3.021 ( 9.727 -16.848 0.000) 19.455 3.264 ( -0.684 1.185 0.000) 1.368 3.502 ( -1.750 3.031 0.000) 3.500 3.572 ( -0.924 1.601 0.000) 1.849 3.626 ( 0.729 -1.263 0.000) 1.459 3.656 ( -0.381 0.660 0.000) 0.762 4.083 ( 2.053 -3.555 0.000) 4.105 4.096 ( 2.181 -3.777 0.000) 4.362 4.315 ( -2.927 5.071 0.000) 5.855 4.429 ( -1.090 1.888 0.000) 2.180 4.744 ( -5.839 10.114 0.000) 11.679 4.776 ( 3.550 -6.149 0.000) 7.101 4.897 ( 0.190 -0.330 0.000) 0.381 4.933 ( 1.643 -2.845 0.000) 3.285 5.236 ( -2.273 3.938 0.000) 4.547 5.403 ( -2.031 3.517 0.000) 4.062 5.413 ( -1.153 1.997 0.000) 2.306 5.540 ( -1.139 1.972 0.000) 2.277 5.571 ( 3.957 -6.853 0.000) 7.914 5.777 ( 4.586 -7.944 0.000) 9.172 5.953 ( 1.419 -2.457 0.000) 2.837 6.215 ( 1.422 -2.463 0.000) 2.844 6.226 ( 1.528 -2.647 0.000) 3.057 6.310 ( -1.551 2.686 0.000) 3.101 6.460 ( 3.350 -5.803 0.000) 6.701 6.814 ( -3.356 5.813 0.000) 6.712 6.995 ( 4.419 -7.654 0.000) 8.838 7.083 ( -1.576 2.730 0.000) 3.152 7.172 ( -0.845 1.464 0.000) 1.691 7.327 ( -1.692 2.930 0.000) 3.383 7.339 ( -4.999 8.659 0.000) 9.999 7.544 ( 2.542 -4.404 0.000) 5.085 7.582 ( 0.623 -1.078 0.000) 1.245 7.703 ( -1.920 3.325 0.000) 3.840 7.829 ( 1.355 -2.347 0.000) 2.711 7.830 ( -4.106 7.112 0.000) 8.212 8.154 ( 0.167 -0.289 0.000) 0.334 8.226 ( -7.523 13.030 0.000) 15.046 8.384 ( 0.793 -1.374 0.000) 1.586 8.416 ( 1.459 -2.527 0.000) 2.918 8.453 ( 0.276 -0.478 0.000) 0.552 8.587 ( 5.034 -8.719 0.000) 10.068 8.775 ( -2.541 4.402 0.000) 5.083 8.825 ( -1.362 2.360 0.000) 2.725 8.976 ( 3.089 -5.350 0.000) 6.177 9.191 ( 0.257 -0.445 0.000) 0.514 9.321 ( -0.030 0.052 0.000) 0.060 9.403 ( 4.623 -8.008 0.000) 9.247 10.492 ( -0.753 1.305 0.000) 1.507 11.036 ( -2.444 4.233 0.000) 4.888 11.139 ( 1.843 -3.193 0.000) 3.687 11.332 ( -2.200 3.810 0.000) 4.400 11.635 ( 0.615 -1.064 0.000) 1.229 11.663 ( 1.945 -3.369 0.000) 3.890 14.819 ( -1.471 2.548 0.000) 2.942 14.878 ( 1.559 -2.700 0.000) 3.117 14.883 ( 0.909 -1.575 0.000) 1.818 15.306 ( -1.084 1.878 0.000) 2.168 15.319 ( -1.095 1.897 0.000) 2.190 16.173 ( -0.057 0.099 0.000) 0.114 16.174 ( -0.064 0.111 0.000) 0.129 16.586 ( 1.212 -2.099 0.000) 2.424 ======================= Grid point 73 (11/50) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 0.000 0.000 32.702) 32.702 0.634 ( 0.000 -0.000 32.702) 32.702 1.218 ( 0.000 -0.000 63.415) 63.415 2.885 ( 0.000 0.000 1.165) 1.165 3.277 ( 0.000 0.000 -1.891) 1.891 3.277 ( 0.000 -0.000 -1.891) 1.891 3.518 ( 0.000 -0.000 -6.007) 6.007 3.636 ( 0.000 -0.000 -2.047) 2.047 3.636 ( 0.000 0.000 -2.047) 2.047 3.862 ( 0.000 0.000 -3.403) 3.403 3.862 ( 0.000 0.000 -3.403) 3.403 4.408 ( 0.000 -0.000 -3.190) 3.190 4.408 ( -0.000 0.000 -3.190) 3.190 4.536 ( 0.000 0.000 12.112) 12.112 4.843 ( -0.000 0.000 -3.369) 3.369 4.870 ( 0.000 -0.000 -1.877) 1.877 4.870 ( 0.000 -0.000 -1.877) 1.877 5.191 ( -0.000 -0.000 -1.639) 1.639 5.276 ( -0.000 0.000 2.136) 2.136 5.276 ( 0.000 -0.000 2.136) 2.136 5.409 ( 0.000 -0.000 -2.851) 2.851 5.409 ( 0.000 0.000 -2.851) 2.851 5.424 ( 0.000 -0.000 2.931) 2.931 5.594 ( 0.000 0.000 3.267) 3.267 5.594 ( 0.000 -0.000 3.267) 3.267 6.224 ( 0.000 -0.000 -1.545) 1.545 6.224 ( 0.000 0.000 -1.545) 1.545 6.641 ( 0.000 0.000 2.656) 2.656 6.832 ( 0.000 -0.000 -9.220) 9.220 6.845 ( 0.000 0.000 -7.070) 7.070 6.992 ( -0.000 0.000 3.642) 3.642 6.992 ( 0.000 0.000 3.642) 3.642 7.066 ( 0.000 0.000 -7.786) 7.786 7.066 ( -0.000 0.000 -7.786) 7.786 7.257 ( 0.000 0.000 -5.640) 5.640 7.319 ( -0.000 -0.000 -14.848) 14.848 7.319 ( 0.000 0.000 -14.848) 14.848 7.617 ( 0.000 -0.000 0.023) 0.023 7.617 ( 0.000 -0.000 0.023) 0.023 7.989 ( 0.000 0.000 5.754) 5.754 7.989 ( -0.000 -0.000 5.754) 5.754 8.184 ( 0.000 0.000 4.444) 4.444 8.228 ( 0.000 0.000 0.574) 0.574 8.230 ( 0.000 0.000 1.096) 1.096 8.286 ( 0.000 -0.000 0.606) 0.606 8.286 ( 0.000 -0.000 0.606) 0.606 8.895 ( 0.000 0.000 5.575) 5.575 8.895 ( 0.000 0.000 5.575) 5.575 9.292 ( 0.000 -0.000 -4.372) 4.372 9.690 ( 0.000 0.000 -3.026) 3.026 9.690 ( 0.000 -0.000 -3.026) 3.026 9.974 ( 0.000 -0.000 -6.120) 6.120 10.292 ( 0.000 0.000 10.565) 10.565 10.292 ( -0.000 0.000 10.565) 10.565 11.369 ( -0.000 0.000 -4.791) 4.791 11.493 ( 0.000 -0.000 0.069) 0.069 11.951 ( 0.000 0.000 -3.352) 3.352 11.951 ( -0.000 0.000 -3.352) 3.352 14.798 ( 0.000 0.000 1.245) 1.245 14.798 ( 0.000 0.000 1.245) 1.245 14.934 ( 0.000 -0.000 1.397) 1.397 15.012 ( 0.000 0.000 0.440) 0.440 15.246 ( 0.000 0.000 -1.807) 1.807 15.246 ( 0.000 0.000 -1.807) 1.807 16.309 ( 0.000 0.000 10.111) 10.111 17.679 ( 0.000 -0.000 -1.429) 1.429 ======================= Grid point 74 (12/50) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 14.303 8.258 25.689) 30.540 0.881 ( 22.170 12.800 20.140) 32.573 1.685 ( 34.330 19.821 45.651) 60.461 2.921 ( 2.459 1.420 1.011) 3.014 3.254 ( -2.466 -1.424 -1.606) 3.269 3.293 ( 1.219 0.704 -2.071) 2.504 3.427 ( -6.518 -3.763 -6.841) 10.171 3.660 ( 2.439 1.408 -1.959) 3.431 3.671 ( 2.774 1.602 -1.224) 3.429 3.837 ( -3.319 -1.916 2.027) 4.335 3.947 ( 0.087 0.050 -7.395) 7.395 4.320 ( -4.562 -2.634 -2.799) 5.966 4.376 ( -2.899 -1.674 -2.082) 3.942 4.525 ( 1.307 0.755 2.591) 2.999 4.695 ( -11.147 -6.436 -3.221) 13.268 4.803 ( -5.376 -3.104 -2.699) 6.769 4.940 ( 3.474 2.006 3.159) 5.106 5.074 ( -4.513 -2.606 -2.711) 5.874 5.194 ( -4.830 -2.789 -0.122) 5.578 5.265 ( 1.138 0.657 -1.636) 2.098 5.442 ( 1.853 1.070 0.135) 2.144 5.488 ( 5.451 3.147 0.185) 6.297 5.606 ( 12.216 7.053 4.053) 14.676 5.672 ( 7.122 4.112 -0.213) 8.226 5.792 ( 14.054 8.114 -0.702) 16.244 6.180 ( -3.883 -2.242 -0.431) 4.505 6.210 ( -3.010 -1.738 5.530) 6.531 6.659 ( 0.619 0.358 5.607) 5.652 6.790 ( -3.453 -1.994 -8.069) 9.000 6.842 ( -0.776 -0.448 -3.168) 3.292 6.946 ( -7.475 -4.315 -2.197) 8.906 6.984 ( -1.508 -0.871 -2.960) 3.434 7.086 ( -2.155 -1.244 -5.089) 5.665 7.090 ( 2.885 1.666 -5.579) 6.498 7.228 ( 4.600 2.656 -10.825) 12.058 7.339 ( 2.783 1.607 -11.337) 11.783 7.351 ( 2.895 1.672 -14.122) 14.512 7.604 ( -0.789 -0.456 0.308) 0.962 7.794 ( 2.475 1.429 -2.732) 3.953 7.920 ( -1.772 -1.023 5.102) 5.497 7.981 ( -0.694 -0.400 3.748) 3.833 8.168 ( -0.807 -0.466 1.183) 1.506 8.205 ( -0.875 -0.505 -0.981) 1.409 8.232 ( 0.205 0.118 1.587) 1.604 8.239 ( 0.444 0.257 -0.095) 0.522 8.347 ( 3.919 2.263 2.763) 5.302 8.875 ( -1.443 -0.833 6.264) 6.482 8.959 ( 5.136 2.965 4.864) 7.670 9.273 ( -1.892 -1.092 -4.621) 5.112 9.522 ( -8.577 -4.952 7.558) 12.458 9.648 ( -3.952 -2.282 -1.497) 4.803 10.124 ( 3.792 2.190 -11.266) 12.088 10.311 ( 1.828 1.056 9.114) 9.356 10.378 ( 7.479 4.318 0.538) 8.653 11.227 ( -13.516 -7.803 13.261) 20.480 11.346 ( -1.981 -1.144 -4.292) 4.863 11.918 ( -2.924 -1.688 -3.393) 4.787 11.936 ( -1.184 -0.683 -4.122) 4.343 14.793 ( -0.395 -0.228 1.251) 1.331 14.814 ( 1.406 0.812 1.160) 1.995 14.917 ( 1.152 0.665 -0.798) 1.551 15.033 ( 1.803 1.041 0.526) 2.147 15.240 ( -0.530 -0.306 -1.749) 1.853 15.676 ( 21.369 12.338 -19.287) 31.319 16.304 ( -0.441 -0.254 9.964) 9.977 17.329 ( -20.142 -11.629 16.353) 28.432 ======================= Grid point 75 (13/50) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 18.021 10.405 18.053) 27.549 1.461 ( 28.101 16.224 8.438) 33.528 2.499 ( 36.536 21.094 26.663) 49.908 2.898 ( -6.947 -4.011 -1.939) 8.253 3.187 ( -2.344 -1.353 2.228) 3.505 3.321 ( 1.620 0.935 -0.636) 1.975 3.338 ( -0.479 -0.277 -5.772) 5.798 3.667 ( -4.189 -2.418 0.755) 4.895 3.690 ( -4.102 -2.368 0.105) 4.738 3.786 ( 1.651 0.953 1.347) 2.335 3.822 ( -6.855 -3.958 -1.111) 7.993 4.297 ( -3.211 -1.854 -0.020) 3.708 4.298 ( 0.966 0.558 -4.095) 4.244 4.475 ( -6.615 -3.819 -4.898) 9.074 4.615 ( 6.007 3.468 -2.452) 7.357 4.685 ( -4.281 -2.472 -2.701) 5.633 4.942 ( -2.733 -1.578 0.795) 3.255 5.018 ( -1.223 -0.706 -3.071) 3.380 5.137 ( -0.779 -0.450 2.260) 2.432 5.294 ( 0.906 0.523 -3.681) 3.827 5.486 ( 1.628 0.940 0.414) 1.924 5.598 ( 2.849 1.645 0.807) 3.387 5.848 ( 1.149 0.663 2.913) 3.201 5.856 ( 7.187 4.149 -4.932) 9.653 5.973 ( 4.806 2.775 2.384) 6.040 6.121 ( 2.210 1.276 2.504) 3.575 6.224 ( 7.382 4.262 1.660) 8.684 6.570 ( -9.309 -5.374 0.521) 10.761 6.723 ( -2.330 -1.345 -1.459) 3.060 6.777 ( -4.826 -2.786 -1.998) 5.919 6.799 ( -3.230 -1.865 0.408) 3.752 6.923 ( -3.506 -2.024 -10.058) 10.842 7.126 ( 5.345 3.086 -3.034) 6.877 7.162 ( 2.750 1.588 -2.902) 4.302 7.298 ( 2.713 1.566 -7.812) 8.417 7.397 ( 0.579 0.334 2.252) 2.349 7.421 ( 2.120 1.224 -12.129) 12.374 7.603 ( 0.810 0.468 0.099) 0.940 7.704 ( -3.228 -1.864 -3.690) 5.245 7.878 ( -3.521 -2.033 5.673) 6.979 7.974 ( 0.525 0.303 -0.842) 1.038 8.175 ( -1.988 -1.148 3.303) 4.022 8.177 ( -0.007 -0.004 -0.515) 0.515 8.255 ( 2.272 1.312 -2.094) 3.357 8.379 ( 10.348 5.975 -10.870) 16.153 8.437 ( 4.158 2.400 4.632) 6.671 8.850 ( -0.607 -0.350 7.672) 7.704 9.053 ( -0.164 -0.095 3.673) 3.678 9.201 ( -4.192 -2.420 -5.197) 7.103 9.364 ( -3.874 -2.237 4.541) 6.374 9.513 ( -8.156 -4.709 1.822) 9.592 10.074 ( -7.114 -4.107 1.105) 8.288 10.372 ( 3.479 2.009 6.228) 7.412 10.588 ( 10.760 6.213 -6.437) 13.994 11.057 ( -2.421 -1.398 7.634) 8.130 11.291 ( -2.830 -1.634 -3.186) 4.564 11.832 ( -4.540 -2.621 -3.498) 6.303 11.879 ( -4.398 -2.539 -4.760) 6.961 14.783 ( -0.325 -0.188 1.399) 1.449 14.855 ( 2.246 1.296 0.932) 2.755 14.962 ( 2.060 1.189 -1.604) 2.869 15.089 ( 3.354 1.937 -0.221) 3.880 15.223 ( -1.029 -0.594 -1.588) 1.984 16.006 ( 10.129 5.848 -11.385) 16.322 16.293 ( -0.458 -0.265 9.741) 9.755 16.968 ( -13.246 -7.648 12.322) 19.641 ======================= Grid point 76 (14/50) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 15.118 8.728 14.578) 22.743 2.048 ( 23.926 13.814 7.014) 28.504 2.674 ( -10.956 -6.325 -4.357) 13.380 3.034 ( 4.634 2.675 -2.031) 5.723 3.122 ( -3.367 -1.944 7.880) 8.787 3.385 ( 2.768 1.598 -6.194) 6.970 3.440 ( 5.149 2.973 1.865) 6.231 3.573 ( 1.673 0.966 7.547) 7.790 3.583 ( -1.865 -1.077 1.298) 2.515 3.718 ( 1.350 0.779 4.219) 4.497 3.801 ( -1.701 -0.982 -2.403) 3.104 4.279 ( -3.047 -1.759 -5.193) 6.273 4.302 ( 4.144 2.392 2.063) 5.211 4.464 ( 4.223 2.438 -2.855) 5.651 4.633 ( -0.812 -0.469 0.131) 0.947 4.740 ( 4.236 2.446 -3.361) 5.935 4.884 ( -1.481 -0.855 -0.186) 1.721 5.017 ( 1.383 0.798 -0.555) 1.690 5.096 ( -3.743 -2.161 4.695) 6.382 5.303 ( -0.573 -0.331 -3.873) 3.929 5.463 ( -5.750 -3.320 1.965) 6.924 5.559 ( -4.364 -2.520 -0.919) 5.122 5.612 ( -11.964 -6.908 1.448) 13.891 6.006 ( 7.795 4.501 -3.145) 9.535 6.183 ( 7.116 4.108 -0.171) 8.218 6.290 ( 8.674 5.008 -1.432) 10.118 6.319 ( -0.767 -0.443 -3.345) 3.460 6.395 ( -2.911 -1.681 4.066) 5.276 6.664 ( -1.912 -1.104 -0.538) 2.272 6.713 ( -3.355 -1.937 -2.579) 4.654 6.726 ( -0.907 -0.524 1.940) 2.205 6.841 ( -4.193 -2.421 -7.852) 9.225 7.215 ( 2.579 1.489 -1.585) 3.374 7.258 ( 1.208 0.697 -5.309) 5.489 7.331 ( 2.711 1.565 3.332) 4.572 7.416 ( -2.276 -1.314 -9.073) 9.446 7.463 ( 7.825 4.518 2.130) 9.283 7.607 ( -0.746 -0.431 -0.262) 0.901 7.663 ( -2.336 -1.349 -6.304) 6.857 7.848 ( 1.485 0.857 4.969) 5.256 7.978 ( -1.230 -0.710 -1.011) 1.743 8.159 ( 0.925 0.534 -2.245) 2.486 8.178 ( 0.793 0.458 -5.187) 5.267 8.342 ( 5.562 3.211 -0.957) 6.494 8.523 ( 3.582 2.068 5.711) 7.052 8.596 ( 7.845 4.529 -8.395) 12.351 8.844 ( -0.277 -0.160 8.379) 8.385 8.874 ( -11.206 -6.470 -4.354) 13.652 9.082 ( -7.294 -4.211 -6.012) 10.348 9.314 ( -8.960 -5.173 5.337) 11.642 9.434 ( 7.797 4.502 7.296) 11.588 9.875 ( -9.814 -5.666 6.653) 13.141 10.448 ( 3.020 1.743 4.146) 5.417 10.808 ( 8.291 4.787 -4.876) 10.744 11.070 ( 1.770 1.022 -1.326) 2.436 11.246 ( -0.105 -0.060 -0.755) 0.764 11.737 ( -3.616 -2.088 -3.614) 5.523 11.744 ( -7.259 -4.191 -4.806) 9.662 14.782 ( 0.160 0.092 1.596) 1.607 14.904 ( 1.910 1.103 0.659) 2.302 14.990 ( 0.582 0.336 -0.685) 0.960 15.169 ( 3.250 1.876 -2.026) 4.264 15.198 ( -1.065 -0.615 -1.383) 1.851 16.168 ( 4.879 2.817 -1.392) 5.803 16.293 ( 0.901 0.520 10.491) 10.542 16.725 ( -8.960 -5.173 3.417) 10.896 ======================= Grid point 77 (15/50) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -0.000 -0.000 14.400) 14.400 2.376 ( -0.000 -0.000 11.226) 11.226 2.523 ( 0.000 0.000 -5.423) 5.423 2.975 ( 0.000 0.000 -11.855) 11.855 3.078 ( 0.000 0.000 9.672) 9.672 3.412 ( 0.000 0.000 -6.845) 6.845 3.429 ( 0.000 0.000 -1.139) 1.139 3.552 ( 0.000 0.000 0.460) 0.460 3.579 ( 0.000 0.000 1.306) 1.306 3.762 ( 0.000 0.000 -3.414) 3.414 3.973 ( -0.000 -0.000 4.919) 4.919 4.188 ( 0.000 0.000 0.873) 0.873 4.383 ( 0.000 0.000 2.183) 2.183 4.565 ( -0.000 -0.000 -1.407) 1.407 4.605 ( 0.000 0.000 5.658) 5.658 4.772 ( 0.000 0.000 -6.659) 6.659 4.894 ( 0.000 0.000 4.355) 4.355 5.018 ( 0.000 0.000 4.860) 4.860 5.095 ( -0.000 -0.000 3.538) 3.538 5.163 ( 0.000 0.000 0.358) 0.358 5.391 ( 0.000 0.000 -2.499) 2.499 5.490 ( 0.000 0.000 -2.844) 2.844 5.504 ( 0.000 0.000 -1.449) 1.449 6.123 ( 0.000 0.000 -0.879) 0.879 6.220 ( 0.000 0.000 -4.371) 4.371 6.307 ( 0.000 0.000 1.124) 1.124 6.377 ( 0.000 0.000 -7.881) 7.881 6.403 ( 0.000 0.000 3.748) 3.748 6.643 ( 0.000 0.000 1.563) 1.563 6.716 ( 0.000 0.000 -7.351) 7.351 6.720 ( 0.000 0.000 0.740) 0.740 6.750 ( 0.000 0.000 -0.654) 0.654 7.239 ( 0.000 0.000 0.912) 0.912 7.266 ( 0.000 0.000 -0.668) 0.668 7.362 ( 0.000 0.000 -7.903) 7.903 7.381 ( 0.000 0.000 -0.618) 0.618 7.594 ( 0.000 0.000 -1.148) 1.148 7.607 ( 0.000 0.000 -2.882) 2.882 7.610 ( -0.000 -0.000 -2.048) 2.048 7.882 ( 0.000 0.000 5.763) 5.763 7.954 ( 0.000 0.000 2.639) 2.639 8.175 ( 0.000 0.000 -7.840) 7.840 8.213 ( 0.000 0.000 -6.028) 6.028 8.425 ( 0.000 0.000 -1.606) 1.606 8.577 ( 0.000 0.000 6.759) 6.759 8.595 ( 0.000 0.000 -9.922) 9.922 8.835 ( 0.000 0.000 -1.792) 1.792 8.835 ( 0.000 0.000 7.851) 7.851 8.940 ( 0.000 0.000 -11.194) 11.194 9.195 ( 0.000 0.000 7.862) 7.862 9.587 ( 0.000 0.000 14.441) 14.441 9.704 ( -0.000 -0.000 2.018) 2.018 10.485 ( 0.000 0.000 3.464) 3.464 10.910 ( 0.000 0.000 -1.235) 1.235 11.076 ( 0.000 0.000 -7.345) 7.345 11.283 ( 0.000 0.000 0.338) 0.338 11.633 ( 0.000 0.000 -4.589) 4.589 11.694 ( 0.000 0.000 -3.669) 3.669 14.785 ( 0.000 0.000 1.703) 1.703 14.927 ( 0.000 0.000 0.524) 0.524 14.995 ( 0.000 0.000 -0.318) 0.318 15.184 ( 0.000 0.000 -1.277) 1.277 15.208 ( 0.000 0.000 -2.810) 2.810 16.217 ( 0.000 0.000 3.061) 3.061 16.323 ( 0.000 0.000 13.977) 13.977 16.609 ( 0.000 0.000 -3.890) 3.890 ======================= Grid point 83 (16/50) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 12.252 21.221 18.563) 30.741 1.281 ( 15.556 26.944 9.615) 32.564 2.263 ( 20.859 36.130 32.702) 53.008 2.963 ( 0.995 1.724 0.283) 2.010 3.184 ( -5.593 -9.688 -3.519) 11.727 3.259 ( 0.315 0.546 -0.783) 1.005 3.369 ( -0.975 -1.688 -3.826) 4.294 3.691 ( 2.044 3.540 -2.248) 4.666 3.702 ( -3.681 -6.375 2.966) 7.937 3.775 ( 0.760 1.316 1.941) 2.464 3.932 ( -2.310 -4.001 -4.214) 6.253 4.192 ( -2.791 -4.834 -1.165) 5.702 4.379 ( -0.298 -0.516 -1.551) 1.662 4.560 ( -1.373 -2.378 -1.877) 3.326 4.598 ( -5.679 -9.836 -4.075) 12.066 4.606 ( 0.204 0.353 -3.110) 3.137 5.015 ( -2.069 -3.583 -2.747) 4.967 5.017 ( 1.222 2.117 2.599) 3.568 5.119 ( -2.091 -3.623 -2.609) 4.930 5.347 ( 3.652 6.325 -3.198) 7.973 5.492 ( 2.778 4.812 2.394) 6.050 5.570 ( 2.536 4.392 -0.306) 5.081 5.756 ( 2.511 4.349 -1.052) 5.131 5.787 ( 4.479 7.758 2.839) 9.398 5.963 ( 3.609 6.252 -3.171) 7.884 6.124 ( -3.193 -5.531 7.014) 9.486 6.210 ( 3.602 6.239 1.160) 7.297 6.581 ( -5.082 -8.803 4.124) 10.970 6.728 ( -2.330 -4.035 -6.037) 7.626 6.737 ( -4.268 -7.392 -1.045) 8.599 6.930 ( -1.725 -2.988 -4.342) 5.546 6.975 ( 2.641 4.575 -5.611) 7.706 7.101 ( 0.941 1.630 -2.901) 3.458 7.105 ( 1.203 2.084 -3.931) 4.609 7.290 ( 1.668 2.889 -8.492) 9.123 7.345 ( 0.881 1.526 -8.569) 8.749 7.472 ( 3.633 6.292 -7.446) 10.404 7.586 ( 0.011 0.018 0.610) 0.610 7.775 ( -3.311 -5.735 -1.204) 6.731 7.798 ( -3.320 -5.751 7.491) 10.011 8.026 ( 0.663 1.148 -0.576) 1.445 8.116 ( -1.465 -2.537 -1.964) 3.527 8.227 ( 1.275 2.208 0.979) 2.731 8.235 ( 0.657 1.137 -2.950) 3.229 8.342 ( 5.191 8.991 -6.058) 12.020 8.418 ( 2.719 4.710 4.864) 7.296 8.841 ( -1.270 -2.199 7.609) 8.022 9.056 ( 3.376 5.847 4.926) 8.357 9.225 ( -2.393 -4.146 -5.389) 7.208 9.375 ( -5.518 -9.558 5.268) 12.229 9.572 ( -3.306 -5.726 0.812) 6.661 10.106 ( -3.153 -5.462 -1.562) 6.497 10.350 ( 1.747 3.026 6.871) 7.709 10.527 ( 6.063 10.501 -5.808) 13.444 11.080 ( -2.768 -4.794 9.964) 11.399 11.304 ( -1.743 -3.019 -3.639) 5.039 11.863 ( -2.602 -4.507 -3.913) 6.511 11.898 ( -1.772 -3.070 -4.269) 5.549 14.794 ( 0.215 0.372 1.399) 1.464 14.829 ( 0.344 0.595 0.907) 1.138 14.968 ( 2.645 4.582 -2.146) 5.709 15.040 ( -0.135 -0.233 0.670) 0.722 15.248 ( 0.534 0.925 -1.568) 1.897 15.939 ( 7.011 12.144 -14.437) 20.126 16.295 ( -0.323 -0.560 9.760) 9.782 17.049 ( -8.576 -14.855 14.529) 22.479 ======================= Grid point 84 (17/50) ======================= q-point: ( 0.25 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 10.216 24.556 13.106) 29.650 1.825 ( 21.080 20.527 5.310) 29.898 2.848 ( -9.826 1.106 0.739) 9.916 2.897 ( 13.303 13.210 7.928) 20.355 3.075 ( 4.087 -10.099 3.573) 11.465 3.302 ( 2.147 3.057 0.012) 3.736 3.380 ( 6.873 1.394 1.260) 7.125 3.557 ( -3.299 -6.889 2.180) 7.943 3.702 ( -10.257 2.727 2.035) 10.807 3.747 ( -1.967 0.123 -2.563) 3.233 3.860 ( -0.986 -0.041 1.361) 1.681 4.176 ( 3.659 -4.283 -1.367) 5.797 4.357 ( -2.554 -0.001 -2.893) 3.859 4.452 ( -0.476 2.581 -1.725) 3.141 4.527 ( 3.684 -7.970 -2.609) 9.160 4.712 ( 4.428 5.465 -2.332) 7.411 4.928 ( -3.616 -2.407 -0.984) 4.454 5.033 ( -0.664 1.331 -0.536) 1.581 5.101 ( 1.244 -0.675 -2.399) 2.785 5.412 ( -5.238 8.217 -1.397) 9.844 5.543 ( -3.758 4.742 0.752) 6.097 5.621 ( -2.106 0.130 -0.440) 2.156 5.724 ( -8.524 -8.529 2.257) 12.267 5.857 ( 8.927 -4.414 -1.506) 10.072 6.056 ( 5.461 0.125 0.639) 5.499 6.125 ( 6.879 -1.513 -1.457) 7.192 6.319 ( 0.239 1.087 2.205) 2.470 6.386 ( -1.420 -8.525 3.404) 9.289 6.634 ( -3.707 -2.937 -0.338) 4.742 6.695 ( 1.263 -1.863 -0.579) 2.324 6.887 ( -3.803 6.143 -8.571) 11.210 7.033 ( -7.863 9.003 -4.087) 12.632 7.100 ( 4.630 -1.577 -5.271) 7.191 7.249 ( 9.430 5.267 0.319) 10.806 7.328 ( 0.450 1.568 -2.862) 3.294 7.380 ( -1.546 2.219 -2.257) 3.522 7.467 ( -2.060 -5.818 -0.686) 6.210 7.610 ( 0.203 3.608 -0.779) 3.697 7.697 ( 0.145 0.435 -1.901) 1.956 7.802 ( 3.782 -0.600 -1.835) 4.246 7.997 ( -1.871 0.609 -3.157) 3.720 8.101 ( 2.150 -1.952 -4.271) 5.165 8.234 ( -2.256 1.158 -1.186) 2.799 8.304 ( 3.811 3.813 1.295) 5.544 8.503 ( 2.570 6.281 2.140) 7.116 8.537 ( 6.122 7.421 -6.768) 11.762 8.803 ( -0.076 -4.301 7.882) 8.980 9.029 ( -9.266 -4.973 1.423) 10.612 9.133 ( -7.021 -4.167 -3.575) 8.913 9.274 ( 6.613 -4.939 2.864) 8.736 9.446 ( -5.523 -2.487 4.138) 7.335 9.933 ( -7.162 -10.495 6.961) 14.488 10.421 ( 2.856 3.138 4.471) 6.164 10.740 ( 7.419 8.826 -6.514) 13.243 11.071 ( 1.485 3.673 3.032) 4.988 11.241 ( -1.584 -3.514 -2.713) 4.714 11.761 ( -3.651 -4.954 -4.022) 7.352 11.807 ( -4.822 -4.755 -4.383) 8.067 14.797 ( -0.968 1.516 1.471) 2.323 14.855 ( 3.055 -0.911 0.725) 3.270 15.003 ( -1.814 0.036 0.026) 1.815 15.095 ( 5.488 2.461 -2.246) 6.420 15.262 ( -1.426 3.085 -1.474) 3.705 16.121 ( 5.259 5.790 -4.830) 9.192 16.287 ( 0.002 -0.305 9.769) 9.773 16.795 ( -7.984 -9.850 7.025) 14.495 ======================= Grid point 85 (18/50) ======================= q-point: ( 0.38 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.939 22.055 11.066) 24.693 2.296 ( 14.836 11.197 7.221) 19.941 2.603 ( -11.547 -2.847 -3.588) 12.423 2.952 ( -3.406 -5.220 -2.413) 6.684 3.128 ( 2.514 2.158 2.598) 4.210 3.357 ( 6.170 -9.132 -0.286) 11.025 3.458 ( -1.726 0.100 -0.576) 1.822 3.481 ( -3.392 -0.184 -2.715) 4.348 3.651 ( -1.947 0.552 0.038) 2.024 3.689 ( -0.236 -2.178 1.815) 2.845 3.977 ( 8.898 13.942 4.761) 17.211 4.199 ( 2.128 -5.616 -2.014) 6.334 4.312 ( 0.836 -3.348 -1.252) 3.671 4.510 ( 2.398 -5.261 1.443) 5.959 4.575 ( 2.548 7.801 1.494) 8.342 4.819 ( 1.089 4.073 -1.983) 4.659 4.882 ( 1.599 -0.368 0.898) 1.870 5.010 ( -3.029 -2.524 2.233) 4.532 5.129 ( 0.638 6.149 0.339) 6.192 5.357 ( -11.403 0.671 1.544) 11.527 5.403 ( -6.297 1.158 -0.003) 6.403 5.479 ( -7.191 -3.683 -1.408) 8.201 5.591 ( -2.749 2.179 -2.123) 4.100 5.997 ( 12.359 -6.884 -1.120) 14.192 6.089 ( 3.589 -12.014 -3.334) 12.974 6.183 ( 4.183 -5.990 -1.764) 7.516 6.274 ( 4.709 -5.319 -0.708) 7.139 6.459 ( 4.471 2.891 6.338) 8.278 6.548 ( -4.102 -1.723 1.247) 4.620 6.715 ( 0.896 2.004 -0.519) 2.255 6.871 ( -5.787 6.188 -10.554) 13.534 7.004 ( -8.457 14.646 -1.909) 17.019 7.161 ( 5.712 -2.505 -0.928) 6.305 7.257 ( -3.245 -5.992 5.001) 8.452 7.282 ( -3.313 -2.046 -3.338) 5.128 7.473 ( -0.321 5.157 -8.989) 10.368 7.521 ( 10.329 3.782 -2.041) 11.187 7.668 ( -0.719 8.083 -0.005) 8.115 7.721 ( 1.100 -2.491 -1.471) 3.094 7.756 ( -4.818 -1.844 -0.997) 5.254 8.039 ( 1.019 5.458 0.235) 5.557 8.174 ( 0.939 -0.015 -7.167) 7.228 8.190 ( 1.739 1.525 -2.585) 3.469 8.407 ( 3.130 2.677 -1.302) 4.320 8.585 ( 1.495 4.019 4.473) 6.196 8.645 ( -4.539 -1.285 -6.636) 8.142 8.726 ( 3.902 -3.662 -2.869) 6.072 8.845 ( -4.632 -7.554 3.803) 9.643 8.999 ( -3.457 0.597 -2.243) 4.164 9.241 ( -4.829 -2.050 4.595) 6.974 9.487 ( 8.975 0.639 9.971) 13.431 9.716 ( -5.871 -10.542 7.979) 14.466 10.484 ( 1.149 2.072 3.298) 4.061 10.904 ( 3.716 4.986 -3.589) 7.179 11.101 ( -2.673 0.911 -5.571) 6.245 11.252 ( 4.359 1.666 -0.031) 4.667 11.651 ( -4.163 -4.476 -4.291) 7.469 11.693 ( -1.842 -3.053 -3.707) 5.144 14.796 ( -0.707 1.266 1.472) 2.067 14.904 ( 3.351 -0.558 0.864) 3.506 14.962 ( -0.761 -3.527 0.273) 3.618 15.197 ( 2.635 3.904 -2.806) 5.482 15.253 ( -3.337 2.881 -1.881) 4.793 16.220 ( 1.162 2.589 2.918) 4.070 16.305 ( 2.147 0.524 11.855) 12.059 16.611 ( -3.858 -6.348 -1.658) 7.612 ======================= Grid point 92 (19/50) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 13.618 23.588 8.097) 28.415 2.189 ( 9.644 16.704 2.936) 19.510 2.752 ( -6.559 -11.361 -0.152) 13.119 2.957 ( 0.715 1.238 -2.790) 3.135 3.078 ( 2.631 4.557 3.212) 6.165 3.196 ( -4.854 -8.407 5.936) 11.378 3.478 ( -0.854 -1.478 -0.447) 1.765 3.508 ( 1.732 3.000 -4.026) 5.311 3.699 ( -2.006 -3.474 0.066) 4.012 3.727 ( -1.594 -2.762 1.703) 3.615 3.948 ( 6.899 11.949 5.872) 14.995 4.109 ( -1.876 -3.249 -1.198) 3.938 4.282 ( -1.979 -3.427 -1.011) 4.085 4.481 ( 0.106 0.184 -5.821) 5.825 4.613 ( 6.957 12.049 3.059) 14.246 4.805 ( 2.537 4.395 -0.522) 5.101 4.864 ( -1.972 -3.416 1.665) 4.282 5.037 ( -0.922 -1.598 0.048) 1.845 5.142 ( 2.717 4.706 -3.353) 6.386 5.439 ( -3.387 -5.867 1.241) 6.887 5.514 ( -4.213 -7.296 1.469) 8.552 5.619 ( -1.560 -2.702 -3.111) 4.406 5.692 ( -4.274 -7.402 -2.985) 9.054 5.708 ( 1.312 2.272 1.876) 3.225 6.009 ( -0.593 -1.026 3.105) 3.323 6.057 ( -0.829 -1.436 -5.251) 5.507 6.214 ( -3.289 -5.696 -0.390) 6.589 6.427 ( 2.794 4.839 9.840) 11.316 6.590 ( -1.746 -3.023 2.485) 4.285 6.724 ( 2.434 4.216 -1.876) 5.217 6.950 ( 0.478 0.828 -12.334) 12.371 7.034 ( -1.071 -1.856 -4.180) 4.697 7.239 ( -5.396 -9.346 0.344) 10.797 7.302 ( 2.449 4.242 -0.762) 4.957 7.313 ( 4.813 8.337 0.805) 9.660 7.420 ( 3.496 6.055 0.809) 7.038 7.487 ( 2.613 4.526 -10.520) 11.747 7.574 ( -1.424 -2.466 2.968) 4.113 7.792 ( 3.636 6.297 3.505) 8.072 7.840 ( -0.956 -1.655 -10.308) 10.483 8.035 ( 3.347 5.798 -5.175) 8.462 8.108 ( 2.028 3.513 -6.763) 7.886 8.232 ( -0.729 -1.263 -2.938) 3.280 8.379 ( 2.336 4.046 2.856) 5.476 8.613 ( 2.271 3.934 1.309) 4.728 8.645 ( 0.557 0.964 -3.322) 3.503 8.710 ( -1.961 -3.397 -1.640) 4.251 8.832 ( -7.320 -12.678 0.438) 14.646 9.062 ( -1.369 -2.372 4.758) 5.489 9.243 ( -0.026 -0.045 1.850) 1.851 9.414 ( 0.037 0.064 6.957) 6.958 9.705 ( -7.057 -12.224 11.306) 18.085 10.486 ( 1.887 3.268 3.262) 4.988 10.894 ( 4.060 7.032 -5.817) 9.989 11.157 ( -2.756 -4.773 -3.839) 6.716 11.196 ( 4.658 8.068 -0.526) 9.331 11.665 ( -2.577 -4.464 -3.750) 6.374 11.697 ( -3.760 -6.513 -4.010) 8.523 14.836 ( 0.886 1.534 1.730) 2.476 14.837 ( 0.108 0.188 0.380) 0.438 14.956 ( -1.875 -3.248 1.203) 3.939 15.193 ( 3.279 5.680 -3.334) 7.357 15.301 ( 0.416 0.720 -1.944) 2.114 16.224 ( 2.847 4.931 2.592) 6.256 16.284 ( 0.075 0.130 10.089) 10.090 16.613 ( -5.059 -8.762 0.390) 10.125 ======================= Grid point 93 (20/50) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -9.780 16.939 3.997) 19.964 2.482 ( -2.659 4.605 8.442) 9.977 2.499 ( 1.924 -3.332 -4.219) 5.710 2.968 ( -2.891 5.007 3.658) 6.842 3.109 ( 7.385 -12.791 7.841) 16.722 3.130 ( 1.770 -3.065 -6.730) 7.604 3.478 ( -0.794 1.376 -1.866) 2.451 3.499 ( -0.524 0.907 -4.873) 4.984 3.663 ( -0.362 0.628 1.857) 1.994 3.675 ( -0.659 1.142 1.441) 1.953 4.077 ( 2.729 -4.726 -2.259) 5.906 4.082 ( 1.967 -3.407 -0.597) 3.979 4.327 ( -2.795 4.841 0.468) 5.609 4.437 ( 0.521 -0.903 -0.845) 1.342 4.774 ( -5.641 9.770 2.920) 11.653 4.818 ( 1.261 -2.184 3.507) 4.320 4.899 ( 0.373 -0.646 0.428) 0.860 4.957 ( 1.408 -2.438 2.218) 3.584 5.253 ( -2.675 4.634 2.782) 6.031 5.344 ( -1.484 2.570 -2.564) 3.921 5.395 ( -0.250 0.434 -0.786) 0.932 5.544 ( -0.915 1.585 -1.788) 2.558 5.554 ( 3.472 -6.014 -2.113) 7.259 5.806 ( 3.286 -5.692 2.204) 6.932 5.993 ( -0.384 0.666 1.270) 1.484 6.084 ( 2.008 -3.478 -4.394) 5.953 6.150 ( 3.750 -6.495 -5.803) 9.482 6.487 ( -0.585 1.013 11.253) 11.314 6.536 ( 0.648 -1.122 5.701) 5.847 6.793 ( -3.541 6.134 -1.797) 7.307 6.944 ( -0.942 1.632 -11.177) 11.335 7.017 ( 5.537 -9.591 -0.504) 11.086 7.120 ( 0.157 -0.272 -5.255) 5.264 7.342 ( -6.349 10.997 0.732) 12.719 7.349 ( -3.108 5.384 2.984) 6.895 7.536 ( -0.713 1.235 -11.588) 11.675 7.567 ( 3.452 -5.979 2.554) 7.361 7.576 ( 0.395 -0.685 -4.272) 4.344 7.757 ( 0.572 -0.990 -6.461) 6.561 7.855 ( -4.349 7.532 3.191) 9.264 8.145 ( -1.975 3.420 -7.788) 8.732 8.161 ( -0.191 0.330 -9.593) 9.600 8.227 ( -0.723 1.252 0.981) 1.748 8.440 ( -0.554 0.960 -1.794) 2.109 8.577 ( 1.852 -3.207 -3.192) 4.889 8.589 ( 3.138 -5.436 6.446) 8.997 8.711 ( -0.358 0.620 -7.644) 7.678 8.721 ( 0.426 -0.738 -2.461) 2.604 9.057 ( -1.788 3.097 9.354) 10.015 9.228 ( -0.034 0.059 4.222) 4.222 9.465 ( 1.483 -2.569 10.785) 11.186 9.533 ( 3.391 -5.873 9.512) 11.682 10.522 ( -0.824 1.428 3.103) 3.514 10.988 ( -1.922 3.330 -4.359) 5.812 11.078 ( 1.340 -2.320 -5.602) 6.210 11.308 ( -1.541 2.669 -2.453) 3.939 11.597 ( 0.386 -0.669 -3.477) 3.562 11.629 ( 1.891 -3.275 -3.366) 5.063 14.829 ( -1.232 2.133 0.850) 2.606 14.880 ( 1.506 -2.608 0.186) 3.017 14.906 ( 0.569 -0.985 2.534) 2.778 15.267 ( -1.244 2.154 -3.341) 4.165 15.292 ( -0.745 1.291 -2.483) 2.896 16.270 ( -1.506 2.608 8.107) 8.648 16.305 ( 0.446 -0.773 12.412) 12.444 16.508 ( 2.062 -3.572 -6.930) 8.065 ======================= Grid point 146 (21/50) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -0.000 0.000 29.618) 29.618 1.228 ( 0.000 0.000 29.618) 29.618 2.389 ( -0.000 0.000 59.520) 59.520 2.918 ( 0.000 -0.000 2.309) 2.309 3.177 ( -0.000 -0.000 -9.603) 9.603 3.177 ( 0.000 0.000 -9.603) 9.603 3.388 ( 0.000 0.000 -7.159) 7.159 3.612 ( 0.000 0.000 0.265) 0.265 3.612 ( -0.000 0.000 0.265) 0.265 3.782 ( 0.000 0.000 -4.509) 4.509 3.782 ( -0.000 -0.000 -4.509) 4.509 4.366 ( 0.000 -0.000 -0.525) 0.525 4.366 ( -0.000 0.000 -0.525) 0.525 4.774 ( 0.000 0.000 -3.354) 3.354 4.819 ( 0.000 -0.000 -3.463) 3.463 4.819 ( 0.000 0.000 -3.463) 3.463 4.832 ( 0.000 -0.000 18.292) 18.292 5.160 ( 0.000 0.000 -1.329) 1.329 5.288 ( 0.000 0.000 -1.408) 1.408 5.288 ( -0.000 0.000 -1.408) 1.408 5.331 ( -0.000 0.000 -5.214) 5.214 5.331 ( -0.000 0.000 -5.214) 5.214 5.494 ( 0.000 0.000 3.882) 3.882 5.687 ( 0.000 0.000 5.946) 5.946 5.687 ( -0.000 0.000 5.946) 5.946 6.159 ( 0.000 -0.000 -5.390) 5.390 6.159 ( 0.000 -0.000 -5.390) 5.390 6.595 ( 0.000 0.000 -14.949) 14.949 6.653 ( 0.000 -0.000 -12.913) 12.913 6.654 ( -0.000 0.000 -3.452) 3.452 6.912 ( -0.000 0.000 -7.182) 7.182 6.912 ( 0.000 -0.000 -7.182) 7.182 7.014 ( 0.000 0.000 -12.929) 12.929 7.014 ( 0.000 0.000 -12.929) 12.929 7.104 ( 0.000 0.000 5.122) 5.122 7.104 ( 0.000 -0.000 5.122) 5.122 7.158 ( 0.000 -0.000 -2.423) 2.423 7.617 ( 0.000 0.000 -0.169) 0.169 7.617 ( 0.000 0.000 -0.169) 0.169 8.076 ( 0.000 -0.000 3.442) 3.442 8.076 ( 0.000 -0.000 3.442) 3.442 8.231 ( 0.000 -0.000 -1.832) 1.832 8.243 ( 0.000 0.000 0.951) 0.951 8.254 ( -0.000 0.000 1.341) 1.341 8.285 ( -0.000 0.000 -0.869) 0.869 8.285 ( -0.000 0.000 -0.869) 0.869 9.026 ( 0.000 -0.000 7.648) 7.648 9.026 ( 0.000 0.000 7.648) 7.648 9.203 ( 0.000 0.000 -3.282) 3.282 9.613 ( 0.000 0.000 -4.900) 4.900 9.613 ( 0.000 0.000 -4.900) 4.900 9.825 ( 0.000 -0.000 -8.898) 8.898 10.554 ( 0.000 0.000 16.194) 16.194 10.554 ( 0.000 0.000 16.194) 16.194 11.276 ( 0.000 0.000 -4.106) 4.106 11.483 ( 0.000 -0.000 -1.413) 1.413 11.855 ( 0.000 0.000 -6.738) 6.738 11.855 ( -0.000 -0.000 -6.738) 6.738 14.833 ( 0.000 -0.000 2.432) 2.432 14.833 ( 0.000 0.000 2.432) 2.432 14.968 ( 0.000 -0.000 1.982) 1.982 15.022 ( 0.000 0.000 0.569) 0.569 15.197 ( 0.000 -0.000 -3.259) 3.259 15.197 ( -0.000 0.000 -3.259) 3.259 16.563 ( 0.000 0.000 15.773) 15.773 17.635 ( -0.000 0.000 -3.397) 3.397 ======================= Grid point 147 (22/50) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 8.823 5.094 27.271) 29.112 1.350 ( 11.544 6.665 26.527) 29.688 2.625 ( 19.005 10.973 50.419) 54.988 2.945 ( 1.182 0.683 1.070) 1.735 3.173 ( -0.387 -0.223 -7.410) 7.423 3.200 ( 2.230 1.287 -8.354) 8.742 3.295 ( -5.960 -3.441 -6.470) 9.446 3.630 ( 1.819 1.050 -0.256) 2.116 3.656 ( 3.536 2.042 0.137) 4.085 3.827 ( 2.081 1.201 -4.879) 5.438 3.840 ( 2.590 1.495 -1.728) 3.454 4.288 ( -5.269 -3.042 -0.047) 6.084 4.353 ( -1.180 -0.681 0.190) 1.376 4.573 ( -7.731 -4.463 1.717) 9.090 4.629 ( -12.081 -6.975 -3.341) 14.344 4.737 ( -5.360 -3.095 -3.624) 7.173 5.044 ( 3.652 2.109 7.662) 8.746 5.067 ( -4.237 -2.446 1.538) 5.129 5.181 ( -4.761 -2.749 -1.238) 5.635 5.220 ( -1.815 -1.048 -3.384) 3.981 5.419 ( 3.382 1.953 -3.139) 5.010 5.454 ( 9.003 5.198 -3.686) 11.030 5.681 ( 12.852 7.420 2.655) 15.076 5.701 ( 1.450 0.837 3.137) 3.555 5.803 ( 8.871 5.122 2.609) 10.570 6.142 ( -1.494 -0.863 -3.982) 4.340 6.221 ( 2.556 1.476 -4.601) 5.466 6.582 ( -1.273 -0.735 -12.659) 12.744 6.664 ( -1.487 -0.859 -6.351) 6.579 6.692 ( 1.102 0.636 -11.900) 11.968 6.830 ( -3.628 -2.095 -5.539) 6.944 6.869 ( -1.986 -1.147 -7.475) 7.819 7.018 ( -1.605 -0.927 -10.082) 10.251 7.063 ( 3.398 1.962 -7.287) 8.276 7.115 ( 1.572 0.907 -0.162) 1.822 7.116 ( 1.817 1.049 5.049) 5.468 7.184 ( 5.676 3.277 -2.972) 7.197 7.609 ( -0.487 -0.281 0.113) 0.573 7.747 ( 8.103 4.679 -2.636) 9.721 7.992 ( -5.378 -3.105 1.144) 6.315 8.025 ( -3.754 -2.167 1.050) 4.460 8.174 ( -2.334 -1.347 -1.975) 3.341 8.194 ( -5.188 -2.995 1.144) 6.099 8.283 ( 1.616 0.933 3.086) 3.607 8.288 ( 1.060 0.612 3.217) 3.442 8.389 ( 5.515 3.184 1.555) 6.555 9.021 ( -0.308 -0.178 8.348) 8.356 9.023 ( 0.286 0.165 -0.490) 0.591 9.202 ( -0.458 -0.264 0.395) 0.660 9.535 ( -6.940 -4.007 -4.139) 9.020 9.598 ( -1.597 -0.922 -3.761) 4.189 9.884 ( 4.474 2.583 -11.952) 13.021 10.549 ( -0.313 -0.180 15.170) 15.175 10.567 ( 1.459 0.843 14.774) 14.870 11.263 ( -1.237 -0.714 -3.530) 3.808 11.367 ( -8.769 -5.063 3.152) 10.605 11.821 ( -2.994 -1.729 -6.771) 7.603 11.830 ( -1.954 -1.128 -6.989) 7.344 14.828 ( -0.352 -0.203 2.312) 2.348 14.847 ( 1.199 0.692 2.274) 2.662 14.919 ( -1.043 -0.602 0.789) 1.440 15.048 ( 2.062 1.190 1.003) 2.583 15.193 ( -0.384 -0.221 -3.145) 3.176 15.443 ( 16.398 9.468 -8.318) 20.682 16.554 ( -0.816 -0.471 15.437) 15.466 17.475 ( -12.721 -7.345 1.924) 14.815 ======================= Grid point 148 (23/50) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 13.674 7.894 22.672) 27.628 1.720 ( 21.073 12.166 17.742) 30.114 2.863 ( -9.311 -5.376 -1.536) 10.861 3.029 ( 10.983 6.341 21.283) 24.775 3.171 ( 0.565 0.326 -6.653) 6.685 3.252 ( 2.235 1.290 -0.961) 2.754 3.313 ( 9.701 5.601 2.335) 11.442 3.652 ( -1.082 -0.624 -0.711) 1.437 3.711 ( 0.059 0.034 2.915) 2.916 3.809 ( -2.126 -1.228 1.026) 2.661 3.834 ( -2.294 -1.324 2.554) 3.680 4.222 ( -1.046 -0.604 -2.885) 3.128 4.318 ( -0.994 -0.574 2.374) 2.637 4.386 ( -6.770 -3.909 -3.573) 8.595 4.545 ( 4.141 2.391 -4.471) 6.546 4.629 ( -3.139 -1.812 -2.147) 4.213 4.961 ( -5.501 -3.176 0.395) 6.364 5.013 ( -0.759 -0.438 2.494) 2.643 5.176 ( 0.760 0.439 1.657) 1.875 5.206 ( 0.033 0.019 -5.631) 5.631 5.473 ( 1.201 0.694 -2.497) 2.857 5.625 ( 2.005 1.158 1.930) 3.014 5.763 ( 5.607 3.237 -4.437) 7.849 5.918 ( -0.855 -0.494 2.880) 3.045 5.970 ( 10.900 6.293 -0.969) 12.623 6.138 ( 2.863 1.653 -1.125) 3.492 6.248 ( 2.080 1.201 -0.587) 2.472 6.479 ( -7.769 -4.486 -6.282) 10.952 6.612 ( 0.194 0.112 -8.511) 8.514 6.634 ( -5.450 -3.147 -14.742) 16.029 6.833 ( 0.371 0.214 2.871) 2.903 6.836 ( -1.854 -1.071 -0.970) 2.351 6.994 ( 1.254 0.724 -10.301) 10.403 7.136 ( 2.672 1.543 -0.482) 3.123 7.191 ( 4.557 2.631 -9.210) 10.607 7.226 ( 7.812 4.510 1.111) 9.088 7.350 ( 8.090 4.671 -3.890) 10.119 7.606 ( 0.148 0.085 -0.034) 0.174 7.760 ( -7.242 -4.181 6.815) 10.788 7.917 ( -2.826 -1.631 -1.727) 3.692 7.948 ( -2.426 -1.401 -1.598) 3.225 8.158 ( 0.379 0.219 -3.451) 3.479 8.175 ( 5.447 3.145 -6.374) 8.955 8.271 ( -1.699 -0.981 6.103) 6.410 8.301 ( 0.353 0.204 4.696) 4.713 8.502 ( 4.691 2.708 2.235) 5.859 9.015 ( -3.173 -1.832 -10.956) 11.552 9.022 ( 0.372 0.215 9.527) 9.537 9.146 ( -7.177 -4.144 2.183) 8.570 9.386 ( -1.701 -0.982 -1.471) 2.454 9.532 ( -4.405 -2.543 -0.254) 5.093 9.967 ( 1.690 0.976 -11.199) 11.367 10.551 ( 0.626 0.362 12.307) 12.328 10.632 ( 4.734 2.733 9.918) 11.324 11.169 ( -6.734 -3.888 3.339) 8.463 11.245 ( -1.288 -0.744 -0.265) 1.511 11.734 ( -4.640 -2.679 -6.842) 8.690 11.763 ( -4.500 -2.598 -7.201) 8.880 14.820 ( -0.178 -0.103 2.335) 2.344 14.882 ( 1.903 1.099 1.852) 2.874 14.937 ( 1.859 1.073 -0.829) 2.301 15.101 ( 2.612 1.508 1.474) 3.357 15.180 ( -0.774 -0.447 -2.828) 2.966 15.789 ( 14.119 8.151 -11.257) 19.811 16.533 ( -0.811 -0.468 14.657) 14.687 17.159 ( -14.762 -8.523 7.174) 18.494 ======================= Grid point 149 (24/50) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 13.881 8.014 19.252) 25.051 2.222 ( 23.490 13.562 10.724) 29.166 2.614 ( -11.873 -6.855 -1.011) 13.748 3.043 ( -7.802 -4.505 3.381) 9.623 3.192 ( 1.561 0.901 -7.518) 7.731 3.302 ( 0.253 0.146 3.249) 3.262 3.410 ( -1.139 -0.657 -3.391) 3.637 3.603 ( -1.284 -0.741 1.175) 1.892 3.644 ( -7.300 -4.215 -0.191) 8.432 3.764 ( -4.211 -2.431 -0.712) 4.914 3.911 ( 10.415 6.013 11.034) 16.321 4.175 ( -1.787 -1.032 -6.433) 6.756 4.360 ( 4.572 2.640 3.819) 6.516 4.433 ( 8.253 4.765 2.191) 9.778 4.620 ( 1.721 0.994 -0.637) 2.087 4.642 ( 2.371 1.369 -6.061) 6.650 4.913 ( 2.072 1.196 1.871) 3.037 5.038 ( 3.525 2.035 2.909) 5.003 5.161 ( -2.511 -1.450 1.834) 3.431 5.230 ( 2.696 1.556 -2.925) 4.272 5.448 ( -3.705 -2.139 -3.537) 5.551 5.538 ( -6.352 -3.667 -0.928) 7.393 5.727 ( -13.386 -7.728 9.757) 18.278 5.933 ( 8.790 5.075 -4.868) 11.257 6.133 ( 1.329 0.767 -4.659) 4.905 6.239 ( 2.372 1.369 -3.857) 4.730 6.278 ( -0.023 -0.013 -0.566) 0.566 6.419 ( 3.768 2.175 -1.338) 4.552 6.512 ( -3.466 -2.001 -14.734) 15.267 6.630 ( 0.965 0.557 -3.252) 3.437 6.785 ( -3.388 -1.956 2.654) 4.727 6.786 ( -2.440 -1.409 0.171) 2.822 7.088 ( 4.828 2.787 -9.792) 11.267 7.188 ( 2.056 1.187 -2.854) 3.712 7.259 ( 1.533 0.885 -4.330) 4.678 7.414 ( 6.918 3.994 1.138) 8.069 7.492 ( 3.877 2.238 -0.639) 4.522 7.592 ( -1.661 -0.959 -1.274) 2.302 7.620 ( -2.543 -1.468 6.546) 7.174 7.886 ( 2.537 1.465 -3.325) 4.431 7.947 ( 2.201 1.271 -1.664) 3.038 8.138 ( -2.830 -1.634 -1.475) 3.585 8.151 ( -4.701 -2.714 3.891) 6.678 8.346 ( 3.878 2.239 1.714) 4.795 8.393 ( 7.064 4.079 -10.576) 13.357 8.592 ( 3.390 1.957 1.586) 4.224 8.801 ( -13.040 -7.529 -6.453) 16.382 8.958 ( -7.795 -4.500 -6.021) 10.829 9.026 ( -0.248 -0.143 10.077) 10.081 9.420 ( -5.032 -2.905 4.707) 7.478 9.502 ( 9.214 5.320 0.323) 10.645 9.921 ( -5.783 -3.339 -3.425) 7.504 10.575 ( 1.291 0.745 9.196) 9.316 10.774 ( 7.602 4.389 2.808) 9.216 11.054 ( -4.433 -2.559 0.181) 5.122 11.245 ( 1.512 0.873 0.759) 1.904 11.635 ( -6.618 -3.821 -6.356) 9.940 11.637 ( -3.692 -2.132 -6.901) 8.112 14.823 ( 0.340 0.196 2.508) 2.538 14.923 ( 1.609 0.929 1.343) 2.293 14.973 ( 1.164 0.672 -0.991) 1.670 15.156 ( 2.110 1.218 1.032) 2.646 15.161 ( -0.826 -0.477 -2.426) 2.607 16.048 ( 9.150 5.283 -10.717) 15.049 16.533 ( 1.332 0.769 13.839) 13.924 16.855 ( -12.589 -7.268 8.898) 17.044 ======================= Grid point 150 (25/50) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -0.000 -0.000 21.269) 21.269 2.429 ( 0.000 0.000 -3.914) 3.914 2.662 ( -0.000 -0.000 17.909) 17.909 2.770 ( 0.000 0.000 -7.964) 7.964 3.234 ( 0.000 0.000 -11.458) 11.458 3.268 ( -0.000 -0.000 8.728) 8.728 3.409 ( 0.000 0.000 -0.509) 0.509 3.528 ( 0.000 0.000 -3.580) 3.580 3.614 ( 0.000 0.000 2.343) 2.343 3.691 ( -0.000 -0.000 -2.923) 2.923 4.034 ( -0.000 -0.000 0.885) 0.885 4.156 ( 0.000 0.000 -5.499) 5.499 4.437 ( 0.000 0.000 3.288) 3.288 4.568 ( 0.000 0.000 2.436) 2.436 4.644 ( 0.000 0.000 -1.347) 1.347 4.650 ( 0.000 0.000 -6.043) 6.043 4.994 ( 0.000 0.000 5.413) 5.413 5.085 ( -0.000 -0.000 2.041) 2.041 5.147 ( -0.000 -0.000 -3.034) 3.034 5.286 ( 0.000 0.000 13.431) 13.431 5.430 ( -0.000 -0.000 8.493) 8.493 5.432 ( 0.000 0.000 -0.936) 0.936 5.457 ( 0.000 0.000 -3.304) 3.304 6.113 ( -0.000 -0.000 0.153) 0.153 6.121 ( 0.000 0.000 -5.245) 5.245 6.160 ( 0.000 0.000 -14.772) 14.772 6.284 ( 0.000 0.000 -1.968) 1.968 6.489 ( 0.000 0.000 2.648) 2.648 6.513 ( 0.000 0.000 -12.668) 12.668 6.641 ( 0.000 0.000 -1.669) 1.669 6.741 ( 0.000 0.000 0.708) 0.708 6.749 ( 0.000 0.000 0.993) 0.993 7.141 ( 0.000 0.000 -8.711) 8.711 7.214 ( 0.000 0.000 -6.859) 6.859 7.274 ( 0.000 0.000 1.663) 1.663 7.449 ( 0.000 0.000 3.516) 3.516 7.564 ( 0.000 0.000 -1.975) 1.975 7.578 ( -0.000 -0.000 -0.777) 0.777 7.593 ( 0.000 0.000 3.722) 3.722 7.997 ( 0.000 0.000 1.545) 1.545 8.023 ( 0.000 0.000 7.859) 7.859 8.059 ( -0.000 -0.000 -8.950) 8.950 8.080 ( -0.000 -0.000 -2.959) 2.959 8.384 ( 0.000 0.000 -10.520) 10.520 8.404 ( 0.000 0.000 -0.214) 0.214 8.636 ( 0.000 0.000 0.226) 0.226 8.724 ( 0.000 0.000 -12.775) 12.775 8.815 ( 0.000 0.000 -0.861) 0.861 9.016 ( 0.000 0.000 10.452) 10.452 9.356 ( 0.000 0.000 7.632) 7.632 9.686 ( 0.000 0.000 -4.174) 4.174 9.776 ( -0.000 -0.000 4.323) 4.323 10.592 ( 0.000 0.000 7.921) 7.921 10.914 ( -0.000 -0.000 2.063) 2.063 10.960 ( 0.000 0.000 -3.312) 3.312 11.283 ( 0.000 0.000 -0.052) 0.052 11.536 ( 0.000 0.000 -5.153) 5.153 11.593 ( 0.000 0.000 -6.922) 6.922 14.828 ( 0.000 0.000 2.611) 2.611 14.943 ( 0.000 0.000 1.091) 1.091 14.985 ( 0.000 0.000 -0.736) 0.736 15.150 ( 0.000 0.000 -2.219) 2.219 15.181 ( 0.000 0.000 0.568) 0.568 16.158 ( 0.000 0.000 -10.313) 10.313 16.617 ( 0.000 0.000 15.254) 15.254 16.635 ( -0.000 -0.000 7.595) 7.595 ======================= Grid point 156 (26/50) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 8.618 14.928 23.086) 28.811 1.583 ( 10.246 17.747 20.392) 28.910 2.895 ( 3.293 5.703 14.744) 16.147 3.021 ( 7.688 13.316 19.802) 25.071 3.107 ( -4.872 -8.438 -4.120) 10.579 3.216 ( 2.383 4.128 -2.896) 5.577 3.270 ( 0.751 1.302 -7.017) 7.176 3.665 ( 1.844 3.194 0.117) 3.690 3.733 ( 0.565 0.978 0.202) 1.147 3.817 ( -1.340 -2.321 1.787) 3.221 3.858 ( 0.575 0.996 -2.019) 2.324 4.183 ( -3.086 -5.346 0.560) 6.198 4.360 ( 0.092 0.159 -0.057) 0.192 4.491 ( -1.738 -3.010 -4.358) 5.575 4.514 ( -4.981 -8.628 -3.891) 10.695 4.579 ( -1.756 -3.042 0.190) 3.518 4.994 ( -2.841 -4.920 0.275) 5.688 5.073 ( -1.193 -2.067 2.380) 3.370 5.084 ( -2.322 -4.022 -1.128) 4.780 5.271 ( 3.218 5.574 -4.371) 7.780 5.542 ( 2.501 4.332 -4.524) 6.744 5.546 ( 4.973 8.613 3.123) 10.425 5.733 ( 0.786 1.361 -0.151) 1.579 5.835 ( 1.613 2.794 0.757) 3.314 5.918 ( 4.852 8.404 -0.323) 9.710 6.196 ( -2.128 -3.685 -0.863) 4.342 6.203 ( 3.906 6.766 -2.329) 8.153 6.520 ( -5.093 -8.821 -7.822) 12.842 6.583 ( 0.541 0.937 -8.691) 8.758 6.742 ( -2.427 -4.204 -2.847) 5.628 6.755 ( -3.578 -6.198 -10.747) 12.912 6.851 ( 3.294 5.706 -5.708) 8.717 7.036 ( 0.678 1.174 -5.184) 5.358 7.094 ( 1.455 2.520 -2.987) 4.171 7.157 ( 2.722 4.715 -0.677) 5.486 7.196 ( 2.943 5.097 -2.063) 6.237 7.316 ( 5.620 9.734 -6.578) 13.023 7.598 ( -0.036 -0.063 0.462) 0.468 7.823 ( -0.988 -1.712 2.706) 3.351 7.902 ( -2.986 -5.172 1.437) 6.143 7.996 ( -0.180 -0.311 -2.107) 2.138 8.098 ( -2.417 -4.186 -0.481) 4.857 8.166 ( -0.225 -0.390 -2.846) 2.882 8.217 ( -1.382 -2.393 2.463) 3.702 8.357 ( 2.182 3.779 3.223) 5.425 8.492 ( 3.293 5.703 2.715) 7.123 9.014 ( -0.352 -0.610 9.635) 9.660 9.034 ( -0.082 -0.142 -10.009) 10.010 9.196 ( 0.126 0.218 5.242) 5.248 9.380 ( -6.485 -11.232 -3.945) 13.556 9.568 ( -1.364 -2.363 -1.445) 3.088 9.951 ( 1.847 3.199 -12.270) 12.814 10.543 ( -0.060 -0.103 13.031) 13.032 10.611 ( 2.232 3.865 11.761) 12.580 11.227 ( -4.314 -7.472 5.445) 10.202 11.237 ( -1.164 -2.016 -2.652) 3.528 11.760 ( -2.716 -4.705 -6.761) 8.673 11.788 ( -1.891 -3.275 -7.289) 8.212 14.831 ( 0.323 0.560 2.364) 2.451 14.854 ( 0.003 0.005 1.645) 1.645 14.943 ( 1.945 3.368 -0.363) 3.906 15.058 ( -0.070 -0.121 1.232) 1.240 15.207 ( 0.807 1.398 -2.581) 3.044 15.699 ( 8.645 14.974 -11.075) 20.533 16.538 ( -0.579 -1.002 14.881) 14.926 17.247 ( -8.598 -14.892 6.261) 18.301 ======================= Grid point 157 (27/50) ======================= q-point: ( 0.25 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 9.032 18.113 17.830) 26.973 2.000 ( 18.987 16.191 12.590) 27.949 2.794 ( -12.849 -1.584 -2.323) 13.153 2.983 ( 1.544 -9.409 -0.452) 9.545 3.225 ( 2.065 0.423 2.668) 3.400 3.280 ( 1.435 4.066 -0.460) 4.336 3.401 ( 5.402 3.774 3.715) 7.565 3.622 ( -4.552 -5.753 3.793) 8.259 3.694 ( -2.688 -1.480 -1.422) 3.382 3.793 ( -2.014 2.253 3.921) 4.950 3.905 ( 1.623 5.880 4.944) 7.852 4.142 ( 2.499 -3.728 -2.074) 4.944 4.295 ( -4.037 -1.592 -2.300) 4.911 4.439 ( 4.510 -0.857 -0.759) 4.653 4.487 ( 3.164 0.042 0.907) 3.292 4.658 ( 5.019 6.803 -3.075) 8.996 4.909 ( -2.245 -1.940 -0.728) 3.055 5.025 ( -0.013 0.818 0.995) 1.288 5.080 ( 3.408 -3.329 -0.478) 4.789 5.354 ( -2.679 9.207 -4.460) 10.575 5.541 ( -5.668 4.714 -3.061) 7.982 5.625 ( -6.613 -1.761 0.627) 6.872 5.760 ( 2.685 -7.525 -0.355) 7.997 5.819 ( 4.518 -3.819 1.254) 6.047 6.042 ( 1.969 -1.207 -1.825) 2.944 6.132 ( 3.410 -3.879 0.648) 5.205 6.321 ( -3.516 1.477 -1.728) 4.187 6.403 ( 4.293 0.761 -1.873) 4.745 6.600 ( -3.927 1.760 -6.267) 7.602 6.637 ( -2.906 1.968 -7.546) 8.322 6.720 ( 2.211 -3.466 -2.389) 4.755 6.937 ( 1.884 2.673 -5.682) 6.556 7.029 ( -2.553 5.403 -2.812) 6.604 7.190 ( 4.621 1.389 -6.926) 8.441 7.242 ( 1.146 4.764 -2.418) 5.464 7.324 ( 7.817 3.921 0.508) 8.760 7.487 ( 3.139 8.986 -6.043) 11.275 7.623 ( -2.225 0.690 2.603) 3.494 7.669 ( -5.495 -3.335 6.125) 8.879 7.850 ( 1.748 -4.659 0.279) 4.983 7.934 ( -3.030 -1.719 -2.285) 4.166 8.054 ( 3.395 -8.027 1.297) 8.811 8.186 ( -0.384 -0.752 -2.551) 2.687 8.272 ( 5.456 5.600 -7.248) 10.662 8.425 ( 1.061 6.129 0.812) 6.273 8.577 ( 1.384 3.809 1.962) 4.503 8.919 ( -9.726 -7.634 -2.595) 12.634 8.985 ( -2.254 -7.155 -3.506) 8.280 9.123 ( -8.375 3.533 4.690) 10.228 9.317 ( 8.468 -4.003 1.855) 9.548 9.516 ( -2.181 0.275 2.642) 3.437 9.955 ( -2.478 -2.958 -5.852) 7.010 10.555 ( 1.320 0.520 9.662) 9.765 10.713 ( 4.889 5.220 5.111) 8.790 11.120 ( -4.621 -0.453 1.788) 4.976 11.206 ( 1.449 -3.432 -0.256) 3.734 11.659 ( -3.492 -4.767 -6.450) 8.747 11.697 ( -4.627 -4.305 -7.003) 9.433 14.832 ( -0.927 1.187 2.068) 2.559 14.876 ( 3.009 -0.823 1.474) 3.450 14.999 ( -1.443 3.661 -0.325) 3.948 15.075 ( 4.482 -1.231 0.401) 4.665 15.227 ( -1.296 2.995 -1.951) 3.802 15.963 ( 8.722 9.403 -11.082) 16.950 16.524 ( 0.008 -0.450 14.161) 14.168 16.956 ( -10.294 -12.008 8.533) 17.971 ======================= Grid point 158 (28/50) ======================= q-point: ( 0.38 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 5.424 16.062 15.745) 23.137 2.427 ( 12.093 4.645 5.097) 13.921 2.590 ( -5.585 5.963 1.735) 8.352 2.855 ( -7.427 -10.556 -1.303) 12.973 3.234 ( 0.908 1.766 -1.147) 2.293 3.303 ( -2.678 -1.976 0.367) 3.348 3.434 ( 0.857 3.263 0.558) 3.419 3.514 ( -2.207 -4.458 3.225) 5.928 3.639 ( -2.043 0.752 -0.735) 2.297 3.698 ( -5.379 -2.860 -0.578) 6.119 4.044 ( 3.436 5.434 0.701) 6.467 4.141 ( 1.190 -3.991 -5.148) 6.622 4.296 ( 5.272 -4.068 0.214) 6.663 4.477 ( 6.646 -8.968 -4.012) 11.861 4.640 ( 1.837 11.812 4.868) 12.907 4.770 ( -1.598 6.753 -3.110) 7.605 4.918 ( 4.946 -0.210 2.156) 5.400 5.046 ( 1.123 -3.218 1.163) 3.601 5.184 ( 7.815 9.141 6.195) 13.528 5.355 ( -3.937 5.865 -2.164) 7.388 5.407 ( -8.795 -1.713 -0.874) 9.003 5.523 ( -7.025 -2.114 1.163) 7.428 5.564 ( -9.172 -4.550 6.142) 11.939 5.917 ( 10.518 -7.425 -6.019) 14.212 6.006 ( 1.735 -9.471 -4.980) 10.840 6.200 ( 3.200 -2.857 2.059) 4.758 6.243 ( 2.365 -5.699 -2.087) 6.513 6.501 ( -3.797 6.080 -6.500) 9.676 6.576 ( 1.298 4.716 0.814) 4.959 6.637 ( -2.111 3.430 -5.941) 7.178 6.718 ( -0.075 -0.728 -1.264) 1.461 6.949 ( -5.977 9.615 -2.641) 11.625 7.101 ( 5.221 0.417 -6.096) 8.037 7.233 ( -0.066 1.046 -8.209) 8.275 7.254 ( -1.559 -0.634 0.330) 1.715 7.452 ( -4.011 -0.905 6.724) 7.882 7.500 ( 5.362 -0.192 1.231) 5.505 7.592 ( 0.617 4.990 -4.792) 6.945 7.697 ( -2.870 5.500 0.001) 6.204 7.833 ( 3.538 -8.684 4.919) 10.589 7.963 ( 7.439 2.872 -7.400) 10.879 8.072 ( 3.470 -1.783 -1.493) 4.177 8.162 ( -3.620 0.825 -2.221) 4.327 8.354 ( -0.465 0.893 -5.408) 5.501 8.484 ( -2.478 1.626 -5.073) 5.875 8.604 ( 1.049 -1.886 -1.793) 2.806 8.702 ( -1.842 -1.354 -4.044) 4.646 8.836 ( -4.533 -7.842 -3.005) 9.543 9.096 ( -4.069 7.204 9.643) 12.706 9.347 ( -0.272 -2.599 5.384) 5.984 9.605 ( 9.447 4.047 2.495) 10.576 9.817 ( -7.165 -7.640 1.167) 10.539 10.584 ( 0.905 0.643 7.366) 7.449 10.860 ( 6.609 4.313 0.195) 7.895 11.020 ( -6.338 -1.805 -2.038) 6.897 11.245 ( 4.050 -0.366 -0.624) 4.115 11.557 ( -3.915 -3.362 -5.185) 7.315 11.596 ( -1.717 -2.416 -6.345) 7.004 14.831 ( -0.303 0.563 1.997) 2.097 14.924 ( 3.431 -0.924 0.888) 3.662 14.976 ( -2.137 -0.395 1.498) 2.640 15.156 ( 3.185 2.589 -1.161) 4.266 15.214 ( -3.228 1.981 -1.836) 4.209 16.145 ( 4.046 4.706 -10.928) 12.567 16.551 ( 4.031 1.036 13.267) 13.905 16.700 ( -8.277 -8.345 10.228) 15.581 ======================= Grid point 165 (29/50) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 9.912 17.168 10.153) 22.273 2.301 ( 8.334 14.434 8.356) 18.645 2.786 ( -1.412 -2.446 -8.896) 9.333 2.788 ( -3.985 -6.903 4.086) 8.957 3.238 ( -0.094 -0.162 4.845) 4.848 3.278 ( -1.363 -2.362 1.844) 3.292 3.445 ( 0.251 0.436 1.234) 1.333 3.513 ( -2.052 -3.553 4.466) 6.065 3.689 ( -0.704 -1.219 -0.924) 1.684 3.761 ( -1.693 -2.932 1.216) 3.597 4.028 ( 2.399 4.156 0.780) 4.862 4.069 ( -2.973 -5.149 -2.751) 6.551 4.274 ( -0.347 -0.602 -0.249) 0.738 4.336 ( -0.029 -0.051 -8.734) 8.734 4.702 ( 7.543 13.064 5.736) 16.139 4.790 ( 3.553 6.153 -1.184) 7.203 4.884 ( -0.487 -0.844 0.687) 1.193 5.022 ( 0.228 0.395 -1.419) 1.490 5.142 ( 5.229 9.057 5.382) 11.762 5.469 ( -3.404 -5.897 0.128) 6.810 5.538 ( -3.622 -6.273 -10.903) 13.090 5.541 ( 0.026 0.045 -3.681) 3.681 5.599 ( -3.620 -6.270 6.060) 9.441 5.765 ( -0.898 -1.555 4.117) 4.492 5.998 ( -1.457 -2.524 -1.016) 3.087 6.038 ( -2.195 -3.801 -3.350) 5.522 6.227 ( -3.100 -5.370 3.696) 7.218 6.547 ( 5.061 8.766 -1.227) 10.196 6.643 ( -0.274 -0.474 1.952) 2.027 6.653 ( 1.203 2.083 -8.060) 8.412 6.746 ( 1.743 3.019 -1.232) 3.697 6.932 ( 0.241 0.417 -5.422) 5.444 7.143 ( -0.514 -0.890 -5.227) 5.327 7.212 ( 1.649 2.856 -11.547) 12.009 7.340 ( 2.348 4.067 -0.074) 4.697 7.383 ( 2.613 4.527 1.709) 5.499 7.538 ( -1.573 -2.725 11.045) 11.484 7.634 ( 1.176 2.037 -9.941) 10.215 7.660 ( -1.261 -2.183 4.352) 5.030 7.849 ( 3.695 6.400 0.509) 7.408 7.925 ( -0.161 -0.280 -6.191) 6.199 7.948 ( -0.280 -0.485 -6.033) 6.059 8.195 ( 0.853 1.478 -1.890) 2.546 8.366 ( 1.993 3.452 -4.579) 6.071 8.504 ( 0.728 1.261 -5.263) 5.460 8.594 ( -1.955 -3.386 -2.993) 4.925 8.751 ( -5.045 -8.739 0.710) 10.116 8.806 ( -4.505 -7.802 -4.334) 9.997 9.215 ( 2.565 4.442 9.692) 10.966 9.307 ( 1.467 2.540 4.256) 5.169 9.529 ( 1.180 2.043 4.782) 5.332 9.841 ( -5.115 -8.860 1.463) 10.335 10.581 ( 1.173 2.031 6.787) 7.181 10.819 ( 3.377 5.849 -0.257) 6.758 11.090 ( -3.497 -6.057 -2.324) 7.370 11.183 ( 2.230 3.863 -0.982) 4.567 11.577 ( -1.972 -3.416 -5.151) 6.487 11.599 ( -3.161 -5.475 -5.931) 8.669 14.849 ( 0.038 0.066 0.905) 0.908 14.872 ( 0.457 0.792 1.702) 1.932 15.001 ( -0.879 -1.522 3.819) 4.204 15.133 ( 2.979 5.159 -2.570) 6.488 15.257 ( 0.005 0.009 -2.393) 2.393 16.131 ( 4.478 7.756 -11.477) 14.558 16.522 ( 0.300 0.519 13.853) 13.866 16.730 ( -6.369 -11.031 10.221) 16.332 ======================= Grid point 166 (30/50) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -4.482 7.763 8.284) 12.205 2.458 ( -0.102 0.176 -0.162) 0.260 2.686 ( -1.100 1.906 11.913) 12.115 2.779 ( -1.527 2.645 -12.612) 12.977 3.231 ( 1.777 -3.078 2.740) 4.488 3.233 ( 1.520 -2.632 7.166) 7.784 3.462 ( -0.292 0.505 2.859) 2.918 3.481 ( 0.211 -0.365 3.725) 3.749 3.684 ( -1.460 2.529 0.285) 2.934 3.699 ( -1.899 3.288 0.940) 3.912 4.006 ( 3.724 -6.450 -5.100) 9.027 4.053 ( 2.449 -4.242 -2.444) 5.474 4.293 ( -1.413 2.448 -4.439) 5.263 4.353 ( 1.859 -3.220 -7.729) 8.577 4.829 ( -4.030 6.980 1.983) 8.300 4.853 ( -0.889 1.540 -0.515) 1.851 4.927 ( -0.309 0.535 2.969) 3.033 5.007 ( 0.576 -0.997 2.794) 3.022 5.348 ( -0.557 0.964 -4.970) 5.093 5.386 ( -1.455 2.526 10.403) 10.804 5.386 ( -1.881 3.253 2.776) 4.672 5.452 ( 1.687 -2.921 -2.427) 4.156 5.549 ( 2.412 -4.178 3.132) 5.751 5.834 ( -0.985 1.707 -0.686) 2.087 5.882 ( 0.245 -0.424 -7.566) 7.582 6.044 ( 6.466 -11.199 -4.756) 13.779 6.176 ( 0.995 -1.723 8.260) 8.496 6.618 ( -2.624 4.545 -1.036) 5.350 6.659 ( -0.259 0.449 4.609) 4.638 6.675 ( -0.453 0.784 -10.622) 10.660 6.772 ( -4.977 8.620 0.922) 9.996 7.018 ( 5.189 -8.988 -0.744) 10.405 7.019 ( 0.966 -1.673 -3.795) 4.258 7.244 ( -0.552 0.956 -14.180) 14.223 7.363 ( -6.417 11.114 1.356) 12.905 7.462 ( -0.804 1.393 5.151) 5.396 7.538 ( -0.803 1.391 0.027) 1.606 7.612 ( 1.089 -1.886 -3.598) 4.206 7.660 ( 3.805 -6.590 2.581) 8.035 7.856 ( -4.707 8.152 -6.168) 11.254 7.967 ( 3.267 -5.659 -9.595) 11.609 8.008 ( 0.437 -0.756 -2.256) 2.419 8.234 ( -3.002 5.200 -1.368) 6.158 8.391 ( -1.594 2.762 -4.093) 5.188 8.461 ( 1.335 -2.312 -6.072) 6.633 8.512 ( 4.028 -6.976 -7.758) 11.184 8.710 ( -0.169 0.292 -1.521) 1.558 8.718 ( 1.564 -2.708 1.510) 3.473 9.265 ( -4.932 8.542 11.123) 14.867 9.333 ( -0.223 0.386 6.189) 6.205 9.631 ( 2.647 -4.586 5.760) 7.824 9.666 ( 1.720 -2.980 3.784) 5.114 10.608 ( -0.791 1.371 5.840) 6.051 10.919 ( -0.531 0.921 -1.687) 1.994 10.979 ( 0.674 -1.167 -3.589) 3.834 11.243 ( 0.008 -0.014 -4.323) 4.323 11.523 ( 0.012 -0.020 -3.941) 3.942 11.550 ( 1.287 -2.229 -4.599) 5.270 14.847 ( -0.694 1.203 1.060) 1.747 14.885 ( 1.298 -2.248 0.356) 2.620 14.984 ( -0.374 0.648 5.658) 5.708 15.206 ( -0.957 1.658 -2.662) 3.279 15.237 ( -0.363 0.629 -3.047) 3.132 16.220 ( -1.520 2.634 -13.560) 13.897 16.560 ( 1.296 -2.245 12.066) 12.341 16.575 ( 1.040 -1.802 14.512) 14.660 ======================= Grid point 219 (31/50) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -0.000 0.000 25.142) 25.142 1.748 ( 0.000 -0.000 25.142) 25.142 2.918 ( 0.000 0.000 -16.751) 16.751 2.918 ( 0.000 -0.000 -16.751) 16.751 2.973 ( 0.000 -0.000 3.418) 3.418 3.257 ( -0.000 0.000 -6.520) 6.520 3.450 ( 0.000 0.000 51.378) 51.378 3.643 ( -0.000 -0.000 2.354) 2.354 3.643 ( 0.000 -0.000 2.354) 2.354 3.711 ( -0.000 0.000 -2.492) 2.492 3.711 ( 0.000 0.000 -2.492) 2.492 4.399 ( -0.000 -0.000 3.956) 3.956 4.399 ( -0.000 -0.000 3.956) 3.956 4.728 ( -0.000 0.000 -1.677) 1.677 4.738 ( 0.000 -0.000 -5.015) 5.015 4.738 ( 0.000 0.000 -5.015) 5.015 5.151 ( 0.000 0.000 0.572) 0.572 5.208 ( 0.000 -0.000 20.952) 20.952 5.221 ( 0.000 0.000 -5.939) 5.939 5.221 ( -0.000 0.000 -5.939) 5.939 5.225 ( 0.000 0.000 -4.714) 4.714 5.225 ( 0.000 0.000 -4.714) 4.714 5.538 ( 0.000 0.000 -0.767) 0.767 5.793 ( -0.000 0.000 4.726) 4.726 5.793 ( 0.000 -0.000 4.726) 4.726 6.037 ( -0.000 -0.000 -6.640) 6.640 6.037 ( -0.000 0.000 -6.640) 6.640 6.303 ( 0.000 0.000 -14.181) 14.181 6.365 ( -0.000 0.000 -17.227) 17.227 6.486 ( 0.000 -0.000 -12.622) 12.622 6.800 ( 0.000 -0.000 -7.680) 7.680 6.800 ( 0.000 0.000 -7.680) 7.680 6.809 ( 0.000 0.000 -3.973) 3.973 6.809 ( 0.000 -0.000 -3.973) 3.973 7.212 ( 0.000 0.000 7.381) 7.381 7.248 ( 0.000 -0.000 8.594) 8.594 7.248 ( 0.000 0.000 8.594) 8.594 7.601 ( -0.000 -0.000 -1.821) 1.821 7.601 ( 0.000 -0.000 -1.821) 1.821 8.059 ( 0.000 0.000 -15.605) 15.605 8.127 ( 0.000 0.000 2.099) 2.099 8.127 ( -0.000 -0.000 2.099) 2.099 8.254 ( -0.000 0.000 -2.302) 2.302 8.254 ( 0.000 -0.000 -2.302) 2.302 8.262 ( 0.000 -0.000 0.987) 0.987 8.276 ( -0.000 -0.000 0.827) 0.827 9.168 ( 0.000 0.000 7.062) 7.062 9.168 ( 0.000 0.000 7.062) 7.062 9.219 ( 0.000 0.000 4.780) 4.780 9.511 ( 0.000 0.000 -5.646) 5.646 9.511 ( -0.000 0.000 -5.646) 5.646 9.655 ( -0.000 -0.000 -8.779) 8.779 10.878 ( 0.000 0.000 17.326) 17.326 10.878 ( 0.000 0.000 17.326) 17.326 11.235 ( 0.000 -0.000 0.002) 0.002 11.435 ( 0.000 -0.000 -3.578) 3.578 11.696 ( 0.000 0.000 -10.097) 10.097 11.696 ( 0.000 -0.000 -10.097) 10.097 14.889 ( -0.000 0.000 3.446) 3.446 14.889 ( 0.000 0.000 3.446) 3.446 15.003 ( 0.000 0.000 1.644) 1.644 15.032 ( 0.000 -0.000 0.409) 0.409 15.126 ( 0.000 -0.000 -4.140) 4.140 15.126 ( -0.000 -0.000 -4.140) 4.140 16.875 ( 0.000 -0.000 16.401) 16.401 17.544 ( 0.000 -0.000 -6.264) 6.264 ======================= Grid point 220 (32/50) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 5.927 3.422 23.597) 24.569 1.836 ( 7.916 4.570 24.130) 25.803 2.880 ( -1.971 -1.138 -11.745) 11.963 2.962 ( 3.601 2.079 -15.231) 15.788 3.053 ( 4.396 2.538 -0.857) 5.147 3.194 ( -4.055 -2.341 -4.123) 6.239 3.480 ( 1.972 1.138 29.875) 29.962 3.655 ( 1.138 0.657 2.358) 2.699 3.678 ( 2.958 1.708 1.655) 3.795 3.789 ( 5.389 3.112 -2.983) 6.901 3.825 ( 8.888 5.132 12.160) 15.912 4.325 ( -5.697 -3.289 3.720) 7.558 4.389 ( -0.993 -0.574 3.450) 3.636 4.569 ( -11.839 -6.835 -3.213) 14.043 4.580 ( -9.304 -5.371 -0.861) 10.777 4.692 ( -3.233 -1.867 -0.843) 3.827 5.103 ( -7.615 -4.396 -2.903) 9.259 5.112 ( -3.928 -2.268 -0.142) 4.538 5.141 ( -1.754 -1.013 -1.521) 2.533 5.187 ( -0.908 -0.524 -1.163) 1.566 5.313 ( 4.428 2.557 -7.425) 9.016 5.445 ( 12.544 7.242 7.499) 16.311 5.698 ( 11.124 6.422 -1.300) 12.910 5.762 ( -1.948 -1.125 2.699) 3.514 5.868 ( 5.766 3.329 3.107) 7.347 6.041 ( 0.536 0.310 -5.725) 5.758 6.081 ( 3.061 1.767 -7.888) 8.644 6.334 ( 2.638 1.523 -12.278) 12.651 6.433 ( 2.536 1.464 -14.815) 15.101 6.504 ( 1.300 0.751 -10.533) 10.640 6.721 ( -3.371 -1.946 -4.134) 5.678 6.757 ( 0.597 0.345 -3.766) 3.829 6.865 ( 1.594 0.920 -6.203) 6.470 6.885 ( 3.821 2.206 -7.333) 8.558 7.217 ( 1.592 0.919 6.225) 6.491 7.241 ( -0.460 -0.266 8.543) 8.559 7.257 ( 1.489 0.860 8.110) 8.291 7.598 ( -0.189 -0.109 -1.600) 1.615 7.689 ( 6.716 3.878 -3.565) 8.535 7.937 ( -5.763 -3.327 -7.913) 10.339 8.035 ( -5.968 -3.445 0.313) 6.898 8.130 ( -4.271 -2.466 -2.608) 5.579 8.204 ( -1.622 -0.936 0.033) 1.873 8.293 ( 5.912 3.414 -2.490) 7.267 8.338 ( 3.403 1.964 2.558) 4.688 8.406 ( 6.242 3.604 0.287) 7.213 9.015 ( -9.271 -5.353 2.885) 11.087 9.173 ( 0.539 0.311 7.498) 7.524 9.281 ( 1.433 0.828 5.581) 5.821 9.422 ( -7.271 -4.198 -6.892) 10.863 9.512 ( -0.039 -0.023 -5.021) 5.021 9.680 ( 2.141 1.236 -9.528) 9.843 10.858 ( -1.659 -0.958 16.766) 16.875 10.870 ( -0.493 -0.285 16.374) 16.384 11.230 ( -0.490 -0.283 0.194) 0.598 11.382 ( -4.727 -2.729 -1.183) 5.585 11.661 ( -2.992 -1.727 -10.058) 10.635 11.671 ( -1.965 -1.134 -9.818) 10.077 14.877 ( -0.691 -0.399 2.735) 2.849 14.899 ( 0.890 0.514 3.242) 3.401 14.937 ( -2.208 -1.275 0.822) 2.679 15.073 ( 3.154 1.821 1.737) 4.035 15.124 ( -0.145 -0.084 -3.975) 3.979 15.308 ( 12.020 6.940 -6.319) 15.250 16.857 ( -1.575 -0.909 15.801) 15.906 17.453 ( -7.811 -4.510 -3.809) 9.791 ======================= Grid point 221 (33/50) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 9.676 5.587 19.520) 22.492 2.087 ( 14.476 8.358 19.905) 25.992 2.817 ( -4.711 -2.720 -5.763) 7.925 3.030 ( -3.676 -2.122 -4.261) 6.014 3.055 ( 4.425 2.555 -10.226) 11.431 3.232 ( 5.437 3.139 -1.987) 6.585 3.481 ( -3.171 -1.831 7.980) 8.780 3.674 ( 0.097 0.056 2.964) 2.966 3.729 ( 0.166 0.096 -1.626) 1.637 3.858 ( -0.777 -0.448 -0.248) 0.931 3.968 ( 0.994 0.574 11.013) 11.073 4.209 ( -7.328 -4.231 0.653) 8.487 4.369 ( 0.664 0.383 2.023) 2.163 4.397 ( 3.232 1.866 7.640) 8.503 4.478 ( 0.600 0.346 -1.638) 1.778 4.627 ( -1.677 -0.968 1.893) 2.708 4.940 ( -5.380 -3.106 -1.935) 6.507 5.043 ( -1.914 -1.105 -4.041) 4.606 5.149 ( 2.705 1.562 4.145) 5.190 5.175 ( -0.459 -0.265 -2.887) 2.935 5.378 ( 1.418 0.819 -5.826) 6.051 5.654 ( 2.620 1.513 0.710) 3.108 5.719 ( 0.126 0.073 0.467) 0.490 5.916 ( 5.793 3.344 -1.489) 6.853 5.986 ( 4.994 2.883 1.021) 5.857 6.086 ( 4.059 2.343 -3.155) 5.650 6.170 ( 5.711 3.297 -6.075) 8.966 6.389 ( -5.146 -2.971 -10.381) 11.962 6.392 ( 0.519 0.299 -5.712) 5.743 6.490 ( -0.838 -0.484 -2.574) 2.749 6.728 ( 3.729 2.153 -9.171) 10.132 6.804 ( 1.356 0.783 -1.544) 2.199 6.880 ( 0.538 0.310 -4.210) 4.256 6.991 ( 5.539 3.198 -8.220) 10.415 7.243 ( 1.043 0.602 7.316) 7.415 7.284 ( 4.401 2.541 3.880) 6.394 7.350 ( 6.600 3.810 4.107) 8.657 7.591 ( -0.654 -0.378 -1.814) 1.965 7.793 ( -1.206 -0.696 -4.512) 4.722 7.875 ( 2.101 1.213 -3.560) 4.308 7.924 ( -3.112 -1.796 -0.593) 3.642 8.081 ( -0.292 -0.168 -4.487) 4.499 8.111 ( -4.420 -2.552 2.376) 5.630 8.387 ( 1.028 0.594 4.169) 4.335 8.392 ( 1.481 0.855 2.843) 3.318 8.523 ( 4.294 2.479 -0.010) 4.959 8.814 ( -8.642 -4.990 -6.491) 11.905 9.131 ( -13.632 -7.870 -4.793) 16.454 9.192 ( 1.028 0.593 8.199) 8.284 9.374 ( 3.192 1.843 1.525) 3.989 9.501 ( -1.077 -0.622 -2.856) 3.116 9.742 ( 3.117 1.800 -11.164) 11.730 10.816 ( -1.849 -1.068 15.023) 15.174 10.866 ( 0.269 0.155 13.190) 13.194 11.196 ( -3.965 -2.289 1.080) 4.704 11.275 ( -2.677 -1.546 1.691) 3.524 11.574 ( -4.597 -2.654 -9.913) 11.245 11.610 ( -3.732 -2.155 -8.831) 9.827 14.866 ( -0.182 -0.105 2.336) 2.345 14.925 ( 1.390 0.803 2.692) 3.134 14.929 ( 0.966 0.558 -0.174) 1.129 15.119 ( -0.362 -0.209 -3.521) 3.546 15.149 ( 3.452 1.993 3.730) 5.459 15.582 ( 12.037 6.949 -10.512) 17.427 16.815 ( -1.964 -1.134 14.252) 14.431 17.236 ( -11.028 -6.367 1.004) 12.774 ======================= Grid point 222 (34/50) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 10.285 5.938 13.212) 17.765 2.442 ( 16.917 9.767 12.551) 23.219 2.663 ( -8.499 -4.907 5.460) 11.231 2.996 ( 0.199 0.115 -9.583) 9.586 3.121 ( -0.734 -0.424 0.843) 1.196 3.324 ( 2.305 1.331 -2.675) 3.773 3.359 ( -4.461 -2.576 0.980) 5.244 3.628 ( -9.021 -5.208 -0.671) 10.438 3.657 ( -0.931 -0.537 4.434) 4.562 3.777 ( -5.030 -2.904 1.424) 5.981 3.971 ( 0.766 0.442 -4.697) 4.779 4.044 ( -4.909 -2.834 -6.070) 8.306 4.434 ( 4.295 2.480 3.347) 5.983 4.536 ( 2.407 1.389 -4.302) 5.121 4.552 ( 4.784 2.762 7.244) 9.109 4.642 ( 2.105 1.215 3.034) 3.888 4.925 ( 4.446 2.567 -0.418) 5.150 5.032 ( 1.459 0.842 -3.398) 3.792 5.158 ( -1.409 -0.814 -2.407) 2.905 5.271 ( 4.988 2.880 -1.747) 6.019 5.411 ( 5.512 3.182 9.745) 11.639 5.534 ( -8.306 -4.795 0.516) 9.605 5.800 ( 3.723 2.149 -8.793) 9.788 5.914 ( -4.761 -2.749 8.363) 10.008 6.065 ( 0.190 0.110 -1.619) 1.634 6.166 ( 0.266 0.154 -2.925) 2.941 6.252 ( -0.723 -0.417 -3.490) 3.588 6.287 ( -1.689 -0.975 -7.833) 8.072 6.391 ( 4.758 2.747 -0.609) 5.527 6.557 ( 3.895 2.249 -3.488) 5.692 6.764 ( -1.044 -0.603 -4.406) 4.568 6.804 ( -0.717 -0.414 1.857) 2.033 6.941 ( 4.427 2.556 -5.801) 7.732 7.079 ( 2.147 1.240 -6.436) 6.897 7.289 ( 2.644 1.527 4.726) 5.626 7.397 ( 4.549 2.626 -0.561) 5.282 7.501 ( 5.925 3.421 0.840) 6.893 7.557 ( -2.351 -1.357 -2.557) 3.730 7.763 ( 0.853 0.492 -0.195) 1.004 7.836 ( -3.271 -1.888 5.795) 6.917 7.927 ( 3.134 1.809 -0.204) 3.624 8.085 ( -0.576 -0.333 -3.829) 3.886 8.114 ( 1.505 0.869 -8.555) 8.730 8.361 ( -2.869 -1.656 5.867) 6.737 8.402 ( 0.955 0.551 3.765) 3.924 8.591 ( 1.849 1.067 -1.462) 2.587 8.597 ( -11.613 -6.705 -12.069) 18.041 8.864 ( -8.306 -4.796 -5.333) 10.974 9.209 ( 0.282 0.163 8.814) 8.820 9.470 ( -1.447 -0.836 0.504) 1.745 9.488 ( 6.525 3.767 -0.558) 7.555 9.784 ( 0.013 0.008 -9.022) 9.022 10.787 ( -0.776 -0.448 12.634) 12.666 10.892 ( 2.336 1.349 8.046) 8.486 11.079 ( -5.388 -3.111 1.952) 6.521 11.269 ( 0.945 0.545 1.563) 1.906 11.479 ( -3.621 -2.090 -9.668) 10.533 11.511 ( -4.772 -2.755 -6.565) 8.571 14.870 ( 0.419 0.242 2.328) 2.378 14.955 ( 1.153 0.666 2.024) 2.423 14.955 ( 1.076 0.621 -0.925) 1.548 15.109 ( -0.443 -0.256 -2.949) 2.993 15.214 ( 2.251 1.300 5.195) 5.809 15.808 ( 7.951 4.590 -13.565) 16.379 16.787 ( -0.134 -0.078 12.205) 12.206 17.003 ( -9.555 -5.516 5.681) 12.410 ======================= Grid point 223 (35/50) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -0.000 -0.000 0.559) 0.559 2.506 ( 0.000 0.000 18.913) 18.913 2.713 ( 0.000 0.000 2.393) 2.393 3.006 ( 0.000 0.000 -11.069) 11.069 3.010 ( 0.000 0.000 16.874) 16.874 3.341 ( 0.000 0.000 -1.817) 1.817 3.414 ( -0.000 -0.000 -7.525) 7.525 3.425 ( 0.000 0.000 2.421) 2.421 3.663 ( 0.000 0.000 2.737) 2.737 3.695 ( -0.000 -0.000 3.149) 3.149 3.988 ( -0.000 -0.000 -5.831) 5.831 3.991 ( 0.000 0.000 -10.595) 10.595 4.499 ( -0.000 -0.000 3.037) 3.037 4.553 ( 0.000 0.000 -3.692) 3.692 4.622 ( -0.000 -0.000 0.195) 0.195 4.635 ( 0.000 0.000 3.521) 3.521 5.067 ( 0.000 0.000 1.476) 1.476 5.071 ( 0.000 0.000 -3.518) 3.518 5.086 ( -0.000 -0.000 -2.001) 2.001 5.281 ( 0.000 0.000 -6.711) 6.711 5.412 ( 0.000 0.000 -0.327) 0.327 5.683 ( -0.000 -0.000 18.070) 18.070 5.694 ( 0.000 0.000 17.142) 17.142 5.851 ( -0.000 -0.000 -16.094) 16.094 6.052 ( 0.000 0.000 -1.636) 1.636 6.128 ( 0.000 0.000 1.072) 1.072 6.245 ( 0.000 0.000 -2.568) 2.568 6.298 ( 0.000 0.000 -9.041) 9.041 6.472 ( 0.000 0.000 -3.638) 3.638 6.599 ( 0.000 0.000 -2.294) 2.294 6.744 ( 0.000 0.000 0.053) 0.053 6.794 ( 0.000 0.000 3.678) 3.678 6.997 ( 0.000 0.000 -6.010) 6.010 7.099 ( 0.000 0.000 -5.602) 5.602 7.326 ( 0.000 0.000 3.600) 3.600 7.440 ( 0.000 0.000 -1.934) 1.934 7.522 ( 0.000 0.000 -2.465) 2.465 7.568 ( 0.000 0.000 -1.231) 1.231 7.751 ( 0.000 0.000 9.807) 9.807 7.916 ( 0.000 0.000 -5.220) 5.220 8.009 ( 0.000 0.000 -0.137) 0.137 8.039 ( -0.000 -0.000 -1.652) 1.652 8.066 ( 0.000 0.000 -5.871) 5.871 8.298 ( 0.000 0.000 1.795) 1.795 8.422 ( 0.000 0.000 2.029) 2.029 8.460 ( -0.000 -0.000 -12.206) 12.206 8.609 ( 0.000 0.000 -2.733) 2.733 8.773 ( 0.000 0.000 -4.149) 4.149 9.209 ( 0.000 0.000 9.375) 9.375 9.452 ( 0.000 0.000 2.286) 2.286 9.591 ( 0.000 0.000 -4.102) 4.102 9.761 ( 0.000 0.000 -4.605) 4.605 10.779 ( 0.000 0.000 11.434) 11.434 10.963 ( -0.000 -0.000 2.793) 2.793 10.977 ( 0.000 0.000 3.790) 3.790 11.288 ( 0.000 0.000 0.675) 0.675 11.435 ( 0.000 0.000 -9.524) 9.524 11.444 ( 0.000 0.000 -4.478) 4.478 14.876 ( 0.000 0.000 2.330) 2.330 14.968 ( 0.000 0.000 -1.094) 1.094 14.969 ( 0.000 0.000 1.690) 1.690 15.103 ( 0.000 0.000 -2.655) 2.655 15.240 ( 0.000 0.000 5.691) 5.691 15.902 ( 0.000 0.000 -15.020) 15.020 16.814 ( 0.000 0.000 9.423) 9.423 16.860 ( -0.000 -0.000 9.785) 9.785 ======================= Grid point 229 (36/50) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 5.757 9.972 20.332) 23.366 1.992 ( 6.783 11.749 21.642) 25.542 2.843 ( -1.548 -2.682 -9.688) 10.171 3.009 ( 0.186 0.321 -9.210) 9.217 3.127 ( -0.486 -0.841 -4.693) 4.792 3.136 ( 2.489 4.311 -1.196) 5.120 3.521 ( 1.454 2.519 13.865) 14.166 3.682 ( 0.655 1.135 1.325) 1.863 3.717 ( 1.065 1.845 -1.573) 2.648 3.833 ( -0.164 -0.284 -0.247) 0.411 3.976 ( 4.036 6.991 16.079) 17.991 4.211 ( -3.850 -6.668 2.066) 7.972 4.382 ( -0.991 -1.716 2.287) 3.026 4.423 ( -3.339 -5.783 -2.540) 7.145 4.479 ( -0.746 -1.292 1.205) 1.918 4.614 ( -2.106 -3.647 3.417) 5.423 4.974 ( -3.974 -6.883 -2.339) 8.286 5.053 ( -2.451 -4.245 -4.586) 6.713 5.121 ( -0.223 -0.387 5.003) 5.023 5.196 ( 1.712 2.966 -4.168) 5.394 5.392 ( 1.583 2.742 -9.173) 9.703 5.624 ( 5.823 10.085 5.676) 12.955 5.756 ( 0.026 0.045 1.860) 1.861 5.819 ( 0.548 0.949 -1.570) 1.914 5.929 ( 3.642 6.309 -0.197) 7.287 6.092 ( -0.310 -0.536 -7.716) 7.741 6.140 ( 5.059 8.762 -2.982) 10.548 6.399 ( -1.900 -3.291 -6.030) 7.128 6.409 ( 3.443 5.964 -9.433) 11.680 6.562 ( 1.147 1.987 -11.611) 11.835 6.618 ( -3.650 -6.322 -2.727) 7.793 6.792 ( 1.313 2.275 -2.750) 3.803 6.914 ( 2.691 4.662 -6.880) 8.736 6.963 ( 2.670 4.624 -6.803) 8.648 7.237 ( 0.606 1.050 6.489) 6.602 7.284 ( 1.643 2.846 7.107) 7.830 7.288 ( 3.056 5.293 3.922) 7.262 7.592 ( -0.073 -0.126 -1.481) 1.489 7.795 ( 2.648 4.587 -4.938) 7.241 7.851 ( -2.678 -4.639 -6.106) 8.123 7.976 ( -0.757 -1.312 -0.127) 1.520 8.057 ( -1.318 -2.283 -3.123) 4.087 8.172 ( -2.929 -5.074 2.719) 6.459 8.306 ( -0.455 -0.788 3.827) 3.934 8.411 ( 2.033 3.521 2.424) 4.733 8.508 ( 3.451 5.977 -1.420) 7.046 8.867 ( -4.888 -8.467 -3.969) 10.552 9.169 ( -2.495 -4.321 4.332) 6.608 9.274 ( -3.827 -6.628 -4.406) 8.831 9.300 ( 0.350 0.606 5.206) 5.253 9.521 ( 0.483 0.837 -3.145) 3.290 9.724 ( 1.852 3.207 -10.852) 11.467 10.819 ( -1.587 -2.749 15.258) 15.585 10.872 ( 0.206 0.357 14.523) 14.529 11.219 ( -0.618 -1.070 0.682) 1.411 11.288 ( -3.555 -6.158 1.146) 7.202 11.609 ( -2.417 -4.186 -9.123) 10.324 11.624 ( -1.788 -3.098 -9.885) 10.512 14.877 ( 0.200 0.347 2.229) 2.264 14.888 ( -0.517 -0.895 1.721) 2.007 14.952 ( 1.474 2.554 1.327) 3.234 15.081 ( -0.078 -0.135 0.490) 0.514 15.165 ( 1.798 3.113 -0.840) 3.692 15.506 ( 7.063 12.234 -9.500) 17.024 16.826 ( -1.204 -2.085 14.736) 14.931 17.300 ( -6.165 -10.677 -0.313) 12.333 ======================= Grid point 230 (37/50) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 6.804 11.214 14.733) 19.726 2.273 ( 13.398 10.603 15.561) 23.109 2.758 ( -5.792 -3.382 -3.315) 7.482 2.950 ( -1.262 -4.765 -1.954) 5.303 3.172 ( 0.769 6.825 -4.884) 8.428 3.234 ( 5.136 -0.285 -2.341) 5.651 3.515 ( -6.456 3.388 4.503) 8.569 3.670 ( -3.542 -1.029 2.073) 4.231 3.698 ( -1.689 -2.999 0.934) 3.566 3.804 ( -0.958 -3.274 -0.433) 3.439 3.987 ( -3.210 0.318 0.700) 3.300 4.097 ( -4.218 -5.620 -2.778) 7.555 4.304 ( 0.644 -4.129 1.825) 4.559 4.410 ( 5.660 -8.672 -1.891) 10.527 4.590 ( 3.317 10.594 7.087) 13.171 4.630 ( 4.154 5.171 1.722) 6.852 4.896 ( -0.212 -0.913 -0.239) 0.967 5.004 ( 0.939 -2.378 -3.331) 4.199 5.156 ( 2.807 3.768 5.330) 7.106 5.267 ( 1.315 6.923 -3.387) 7.819 5.411 ( 0.336 0.518 -5.594) 5.628 5.648 ( -10.049 -2.719 1.416) 10.506 5.754 ( 1.674 1.920 -0.507) 2.597 5.862 ( 6.747 -4.876 2.112) 8.589 6.027 ( -1.116 -1.754 -0.872) 2.254 6.081 ( 5.096 -2.642 -3.915) 6.949 6.293 ( 0.299 6.194 -2.224) 6.588 6.336 ( -2.470 0.174 -3.044) 3.924 6.482 ( -3.959 5.297 -2.113) 6.943 6.533 ( 2.049 7.005 -5.625) 9.214 6.654 ( 6.761 -2.945 -4.626) 8.705 6.843 ( 4.159 0.348 -5.429) 6.848 6.960 ( -4.029 6.290 -3.699) 8.335 7.055 ( 3.514 1.765 -6.438) 7.544 7.277 ( 1.515 3.116 4.860) 5.968 7.364 ( 3.922 4.924 2.504) 6.775 7.419 ( 5.930 3.654 0.735) 7.004 7.609 ( -0.101 3.546 -2.484) 4.331 7.755 ( -2.846 -2.453 -3.542) 5.163 7.820 ( 0.864 -4.362 -0.953) 4.548 7.949 ( -4.953 -2.988 5.272) 7.826 8.049 ( 1.992 0.298 -3.644) 4.163 8.135 ( 1.958 3.832 -3.822) 5.756 8.244 ( 0.490 -9.072 7.293) 11.650 8.460 ( 0.420 1.988 1.656) 2.621 8.585 ( 0.262 1.892 -1.697) 2.555 8.714 ( -7.237 -4.864 -11.585) 14.500 8.925 ( -9.441 -12.958 -6.222) 17.197 9.259 ( -1.623 5.617 7.845) 9.784 9.359 ( 5.827 -0.615 2.825) 6.505 9.540 ( -0.166 3.307 0.049) 3.311 9.781 ( 1.168 1.802 -10.276) 10.498 10.772 ( -0.358 -2.757 12.572) 12.876 10.880 ( 0.387 0.564 10.567) 10.589 11.147 ( -5.797 -2.366 1.363) 6.408 11.221 ( 1.718 -4.256 1.045) 4.707 11.521 ( -3.416 -2.807 -8.126) 9.251 11.550 ( -3.328 -3.676 -8.164) 9.552 14.869 ( -0.506 0.199 1.773) 1.854 14.903 ( 2.223 -0.805 1.058) 2.590 15.001 ( -0.624 4.652 0.700) 4.746 15.093 ( 2.339 -0.739 0.347) 2.478 15.212 ( 0.378 2.631 1.673) 3.141 15.732 ( 7.717 8.063 -12.682) 16.894 16.789 ( -0.898 -1.378 13.042) 13.145 17.081 ( -7.997 -9.304 4.047) 12.919 ======================= Grid point 231 (38/50) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 5.790 8.246 6.265) 11.865 2.551 ( 4.585 0.433 8.977) 10.090 2.635 ( -0.325 1.743 4.343) 4.691 2.898 ( 0.035 -5.623 0.330) 5.633 3.194 ( -5.464 5.244 4.242) 8.680 3.319 ( 4.569 2.460 -1.254) 5.338 3.447 ( -4.572 5.235 -1.095) 7.036 3.550 ( -8.629 0.547 -0.007) 8.646 3.660 ( -0.739 -0.314 3.575) 3.664 3.705 ( -3.936 -3.839 1.993) 5.848 3.972 ( 1.123 -0.784 -8.241) 8.355 4.010 ( -2.196 -0.958 -7.414) 7.791 4.323 ( 7.540 -9.394 2.101) 12.227 4.410 ( 6.500 -11.695 -2.361) 13.587 4.691 ( -0.996 7.387 -1.264) 7.560 4.738 ( -1.673 6.894 0.982) 7.161 4.953 ( 5.851 1.434 2.239) 6.427 5.036 ( 3.310 -1.034 -1.695) 3.860 5.205 ( -2.565 5.419 -5.495) 8.133 5.334 ( -4.991 0.741 -3.593) 6.194 5.460 ( -1.574 1.225 -1.598) 2.556 5.532 ( 9.301 5.408 14.983) 18.446 5.765 ( -0.989 -5.056 0.185) 5.156 5.807 ( -3.697 -6.941 3.617) 8.656 5.955 ( -0.242 -6.977 1.702) 7.186 6.139 ( 7.656 -8.237 -7.268) 13.390 6.271 ( -4.215 4.463 2.341) 6.570 6.334 ( -3.655 6.998 -4.315) 8.997 6.555 ( 0.481 7.836 -2.407) 8.212 6.594 ( -1.242 3.594 -2.948) 4.812 6.717 ( 1.262 1.495 1.139) 2.264 6.910 ( -1.553 5.397 -2.132) 6.007 6.958 ( 1.176 0.534 -6.661) 6.785 7.093 ( 1.216 -0.555 -6.193) 6.335 7.319 ( 0.280 1.660 4.724) 5.015 7.442 ( 0.378 1.575 -1.981) 2.559 7.534 ( 3.825 1.899 -0.544) 4.305 7.586 ( -4.476 1.589 -0.804) 4.817 7.763 ( -1.320 -0.429 6.867) 7.006 7.828 ( 8.862 3.318 -4.003) 10.275 7.884 ( 3.344 -7.607 -1.068) 8.378 8.076 ( 0.745 -5.523 -0.954) 5.654 8.114 ( -3.502 0.354 -1.042) 3.671 8.260 ( 1.524 0.880 -1.091) 2.070 8.419 ( -4.401 -3.711 -5.809) 8.178 8.544 ( -0.174 -2.628 -4.921) 5.582 8.575 ( -4.171 0.158 -4.359) 6.036 8.761 ( -0.511 -5.334 -5.923) 7.987 9.281 ( -3.418 7.221 9.088) 12.100 9.424 ( 1.642 -0.340 3.008) 3.444 9.613 ( 3.264 6.016 -0.676) 6.877 9.767 ( -2.496 -2.265 -5.187) 6.185 10.757 ( 0.920 -1.923 10.440) 10.655 10.917 ( 3.817 1.155 4.904) 6.321 11.023 ( -5.670 -3.361 1.565) 6.775 11.227 ( 3.346 -4.209 -1.540) 5.593 11.462 ( -2.121 -0.635 -5.513) 5.941 11.465 ( -2.568 -0.835 -6.184) 6.748 14.867 ( 0.205 -0.306 1.812) 1.849 14.929 ( 2.126 -1.888 -0.215) 2.851 15.014 ( -2.271 3.958 2.007) 4.985 15.134 ( 0.469 2.792 -2.017) 3.476 15.226 ( 0.371 -0.530 4.487) 4.533 15.885 ( 3.483 3.133 -15.045) 15.758 16.787 ( 1.836 0.080 10.973) 11.125 16.891 ( -5.402 -5.582 8.244) 11.327 ======================= Grid point 238 (39/50) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 5.211 9.026 6.845) 12.469 2.472 ( 5.376 9.311 9.058) 14.059 2.675 ( -2.878 -4.984 -3.395) 6.682 2.886 ( -0.815 -1.411 4.623) 4.902 3.245 ( 1.490 2.581 0.791) 3.084 3.296 ( 2.100 3.637 1.018) 4.321 3.551 ( 0.428 0.742 5.125) 5.196 3.604 ( -1.462 -2.532 3.774) 4.773 3.681 ( -0.539 -0.934 0.938) 1.430 3.750 ( -1.460 -2.529 -1.876) 3.471 3.985 ( -0.544 -0.942 -4.236) 4.374 4.007 ( -2.917 -5.052 -4.522) 7.381 4.194 ( -3.582 -6.204 -4.625) 8.527 4.249 ( -2.588 -4.483 -2.400) 5.706 4.756 ( 4.072 7.052 -2.272) 8.454 4.774 ( 3.510 6.080 0.453) 7.035 4.914 ( 2.307 3.996 3.899) 6.041 4.993 ( 1.095 1.896 -1.450) 2.626 5.249 ( 0.278 0.482 -6.569) 6.593 5.396 ( 0.902 1.563 -6.604) 6.846 5.436 ( 4.264 7.386 11.597) 14.395 5.513 ( -3.430 -5.941 0.058) 6.860 5.741 ( -1.514 -2.623 8.690) 9.203 5.854 ( 0.099 0.171 2.899) 2.906 5.901 ( -4.586 -7.944 -8.988) 12.842 6.003 ( -3.028 -5.244 2.250) 6.460 6.319 ( -0.358 -0.621 4.101) 4.163 6.411 ( 2.615 4.529 -4.906) 7.171 6.589 ( 3.308 5.730 -2.085) 6.937 6.638 ( 1.816 3.145 -1.726) 4.021 6.754 ( 5.333 9.237 -1.872) 10.829 6.847 ( 1.126 1.950 -4.593) 5.115 7.035 ( -0.729 -1.263 -5.797) 5.977 7.050 ( 0.213 0.369 -5.057) 5.075 7.358 ( 2.750 4.763 2.743) 6.145 7.434 ( 1.666 2.886 3.077) 4.536 7.490 ( 1.669 2.891 -3.357) 4.734 7.687 ( -1.368 -2.370 -2.273) 3.557 7.725 ( -2.801 -4.851 2.518) 6.141 7.759 ( 4.232 7.329 -5.778) 10.248 7.854 ( -2.559 -4.433 3.600) 6.258 7.972 ( -2.855 -4.945 4.543) 7.297 8.170 ( 0.987 1.710 0.034) 1.974 8.253 ( 2.791 4.834 -5.446) 7.798 8.448 ( -2.263 -3.920 -2.422) 5.134 8.508 ( -5.330 -9.231 -6.184) 12.323 8.669 ( -0.857 -1.484 -8.663) 8.831 8.697 ( -4.088 -7.081 -5.919) 10.094 9.388 ( 3.434 5.948 7.884) 10.456 9.393 ( 2.472 4.281 4.745) 6.852 9.596 ( 1.682 2.913 2.363) 4.110 9.784 ( -1.283 -2.222 -5.634) 6.191 10.737 ( -0.362 -0.626 9.258) 9.287 10.886 ( 0.495 0.857 6.087) 6.167 11.077 ( -3.844 -6.657 0.463) 7.701 11.153 ( -0.610 -1.057 -2.476) 2.760 11.479 ( -0.842 -1.459 -5.015) 5.290 11.485 ( -1.634 -2.829 -5.734) 6.599 14.870 ( -0.056 -0.097 1.187) 1.193 14.894 ( -0.129 -0.224 0.656) 0.706 15.092 ( 0.917 1.588 4.331) 4.703 15.099 ( 2.386 4.132 -1.008) 4.877 15.231 ( -0.419 -0.726 1.036) 1.333 15.866 ( 3.218 5.574 -15.080) 16.397 16.771 ( -0.105 -0.182 11.678) 11.680 16.911 ( -4.509 -7.810 7.541) 11.756 ======================= Grid point 239 (40/50) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -1.640 2.840 1.322) 3.535 2.540 ( 0.886 -1.534 4.709) 5.031 2.636 ( 0.076 -0.131 -1.304) 1.313 2.877 ( -0.952 1.649 6.573) 6.843 3.274 ( -1.639 2.838 4.808) 5.819 3.328 ( 0.967 -1.675 4.425) 4.829 3.555 ( -3.252 5.633 4.021) 7.647 3.604 ( 0.453 -0.784 6.957) 7.015 3.675 ( -1.796 3.110 -0.453) 3.620 3.710 ( -3.840 6.650 0.215) 7.682 3.898 ( 3.715 -6.434 -5.781) 9.414 3.984 ( 2.001 -3.467 -5.542) 6.836 4.183 ( 2.412 -4.178 -6.006) 7.703 4.185 ( 4.476 -7.753 -8.294) 12.204 4.813 ( -2.165 3.750 -2.998) 5.266 4.831 ( -1.809 3.132 -1.648) 3.975 5.018 ( -2.275 3.941 6.280) 7.756 5.041 ( -1.067 1.847 -0.134) 2.137 5.227 ( 2.008 -3.478 -10.256) 11.014 5.255 ( 2.422 -4.196 -2.173) 5.310 5.569 ( -3.389 5.869 -2.080) 7.089 5.608 ( 0.890 -1.542 8.432) 8.618 5.666 ( -0.841 1.456 10.626) 10.759 5.761 ( -0.481 0.833 -1.526) 1.804 5.840 ( 2.672 -4.627 6.358) 8.305 5.964 ( 4.687 -8.117 -5.134) 10.687 6.314 ( -0.197 0.341 5.538) 5.552 6.456 ( -2.594 4.493 -4.441) 6.829 6.654 ( -1.460 2.529 -2.532) 3.865 6.667 ( -0.955 1.654 -0.601) 2.003 6.825 ( -5.281 9.146 2.758) 10.915 6.949 ( -0.518 0.897 -7.527) 7.598 6.984 ( 0.577 -0.999 -1.485) 1.880 7.040 ( 2.675 -4.632 -5.782) 7.877 7.403 ( -4.253 7.366 3.358) 9.144 7.462 ( -0.356 0.616 -1.721) 1.863 7.547 ( 0.848 -1.470 -0.961) 1.950 7.597 ( -0.768 1.331 0.105) 1.540 7.703 ( 5.074 -8.788 -2.234) 10.391 7.782 ( -0.918 1.590 3.246) 3.730 7.866 ( 4.444 -7.698 1.406) 8.999 7.967 ( -3.541 6.134 -4.625) 8.459 8.204 ( -2.667 4.619 -1.304) 5.491 8.271 ( 0.148 -0.256 -6.883) 6.889 8.381 ( 5.643 -9.775 -5.574) 12.588 8.387 ( -0.138 0.239 -3.042) 3.055 8.628 ( -1.315 2.278 -6.430) 6.947 8.673 ( 1.998 -3.461 -5.958) 7.175 9.445 ( -0.829 1.436 5.414) 5.662 9.448 ( -4.804 8.321 7.741) 12.338 9.688 ( 1.835 -3.178 0.927) 3.785 9.694 ( -0.007 0.011 0.125) 0.125 10.738 ( 0.020 -0.034 7.619) 7.619 10.932 ( 0.677 -1.172 2.447) 2.796 10.958 ( 0.485 -0.841 0.950) 1.358 11.148 ( 1.784 -3.090 -5.588) 6.630 11.455 ( -0.260 0.450 -3.160) 3.203 11.466 ( 0.132 -0.229 -3.975) 3.984 14.868 ( -0.283 0.490 1.159) 1.290 14.892 ( 0.922 -1.596 0.345) 1.875 15.100 ( -2.632 4.559 4.422) 6.875 15.182 ( -0.398 0.689 -2.654) 2.771 15.191 ( 1.229 -2.130 3.236) 4.064 15.923 ( -0.561 0.971 -16.451) 16.489 16.786 ( 0.229 -0.396 10.410) 10.421 16.815 ( 1.083 -1.876 10.077) 10.307 ======================= Grid point 292 (41/50) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.000 0.000 21.315) 21.315 2.186 ( -0.000 0.000 21.315) 21.315 2.570 ( -0.000 0.000 -19.430) 19.430 2.570 ( 0.000 -0.000 -19.430) 19.430 3.048 ( 0.000 -0.000 4.488) 4.488 3.143 ( 0.000 0.000 -5.531) 5.531 3.679 ( 0.000 0.000 1.138) 1.138 3.679 ( 0.000 -0.000 1.138) 1.138 3.689 ( 0.000 -0.000 -0.283) 0.283 3.689 ( -0.000 -0.000 -0.283) 0.283 4.281 ( 0.000 0.000 33.847) 33.847 4.503 ( 0.000 0.000 6.547) 6.547 4.503 ( 0.000 0.000 6.547) 6.547 4.629 ( -0.000 -0.000 -6.392) 6.392 4.629 ( -0.000 -0.000 -6.392) 6.392 4.663 ( 0.000 -0.000 -7.972) 7.972 5.132 ( 0.000 -0.000 -2.589) 2.589 5.132 ( 0.000 -0.000 -2.589) 2.589 5.140 ( 0.000 -0.000 -3.221) 3.221 5.140 ( 0.000 0.000 -3.221) 3.221 5.201 ( 0.000 0.000 5.973) 5.973 5.404 ( 0.000 0.000 -12.757) 12.757 5.613 ( 0.000 0.000 21.393) 21.393 5.864 ( 0.000 -0.000 3.144) 3.144 5.864 ( -0.000 0.000 3.144) 3.144 5.931 ( 0.000 0.000 -4.368) 4.368 5.931 ( -0.000 0.000 -4.368) 4.368 6.009 ( 0.000 0.000 -20.074) 20.074 6.147 ( 0.000 -0.000 -0.694) 0.694 6.252 ( -0.000 0.000 -10.322) 10.322 6.727 ( -0.000 0.000 -0.642) 0.642 6.727 ( 0.000 -0.000 -0.642) 0.642 6.749 ( -0.000 0.000 -2.408) 2.408 6.749 ( -0.000 0.000 -2.408) 2.408 7.410 ( -0.000 0.000 8.016) 8.016 7.410 ( 0.000 -0.000 8.016) 8.016 7.411 ( 0.000 0.000 13.414) 13.414 7.537 ( 0.000 0.000 -5.076) 5.076 7.537 ( 0.000 0.000 -5.076) 5.076 7.717 ( 0.000 -0.000 -18.387) 18.387 8.164 ( 0.000 0.000 1.998) 1.998 8.164 ( 0.000 0.000 1.998) 1.998 8.206 ( 0.000 -0.000 -2.478) 2.478 8.206 ( 0.000 0.000 -2.478) 2.478 8.278 ( 0.000 -0.000 0.634) 0.634 8.284 ( 0.000 0.000 0.041) 0.041 9.292 ( 0.000 -0.000 6.074) 6.074 9.292 ( 0.000 0.000 6.074) 6.074 9.346 ( 0.000 -0.000 7.718) 7.718 9.403 ( 0.000 -0.000 -5.723) 5.723 9.403 ( 0.000 -0.000 -5.723) 5.723 9.496 ( 0.000 0.000 -8.048) 8.048 11.196 ( 0.000 -0.000 15.892) 15.892 11.196 ( -0.000 0.000 15.892) 15.892 11.272 ( 0.000 -0.000 3.517) 3.517 11.354 ( 0.000 0.000 -4.694) 4.694 11.474 ( 0.000 -0.000 -13.255) 13.255 11.474 ( 0.000 0.000 -13.255) 13.255 14.962 ( -0.000 0.000 4.147) 4.147 14.962 ( 0.000 -0.000 4.147) 4.147 15.027 ( -0.000 0.000 0.838) 0.838 15.035 ( 0.000 -0.000 -0.067) 0.067 15.044 ( 0.000 0.000 -4.413) 4.413 15.044 ( -0.000 -0.000 -4.413) 4.413 17.165 ( 0.000 -0.000 13.810) 13.810 17.391 ( 0.000 -0.000 -9.968) 9.968 ======================= Grid point 293 (42/50) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 3.393 1.959 19.822) 20.205 2.261 ( 6.552 3.783 20.824) 22.155 2.580 ( 0.900 0.519 -17.790) 17.820 2.635 ( 5.536 3.196 -18.697) 19.760 3.084 ( 2.308 1.332 2.529) 3.674 3.133 ( -0.593 -0.342 -2.633) 2.720 3.661 ( -2.084 -1.203 2.308) 3.334 3.687 ( 0.298 0.172 -0.551) 0.650 3.701 ( 1.984 1.146 2.258) 3.217 3.741 ( 4.241 2.448 -2.109) 5.332 4.312 ( -3.148 -1.817 19.885) 20.215 4.416 ( -6.128 -3.538 4.874) 8.592 4.470 ( -3.032 -1.751 4.595) 5.777 4.522 ( -4.095 -2.364 1.326) 4.911 4.545 ( -6.077 -3.508 -2.920) 7.600 4.668 ( 0.452 0.261 -4.188) 4.220 5.042 ( -4.861 -2.806 -1.246) 5.749 5.052 ( -5.900 -3.406 -0.890) 6.871 5.097 ( -2.439 -1.408 -5.149) 5.869 5.113 ( -1.032 -0.596 -6.963) 7.065 5.308 ( 7.443 4.297 10.571) 13.623 5.569 ( 11.077 6.395 -13.016) 18.249 5.679 ( 3.144 1.815 12.431) 12.950 5.790 ( -3.395 -1.960 -0.301) 3.932 5.915 ( 4.087 2.360 2.231) 5.220 5.968 ( 3.217 1.857 -3.956) 5.427 5.975 ( 4.282 2.472 0.822) 5.012 6.145 ( 7.009 4.047 -14.691) 16.772 6.195 ( 4.146 2.394 -0.590) 4.824 6.296 ( 3.811 2.200 -9.697) 10.648 6.705 ( -1.380 -0.797 1.796) 2.401 6.733 ( 1.655 0.956 0.985) 2.150 6.767 ( 0.788 0.455 -4.304) 4.399 6.782 ( 2.464 1.422 -3.933) 4.854 7.371 ( -1.663 -0.960 8.723) 8.932 7.406 ( -0.387 -0.224 8.262) 8.274 7.406 ( 0.059 0.034 6.154) 6.154 7.536 ( -0.130 -0.075 -5.159) 5.162 7.615 ( 5.158 2.978 -3.161) 6.743 7.712 ( 0.027 0.016 -12.852) 12.852 8.047 ( -6.698 -3.867 1.154) 7.820 8.081 ( -5.908 -3.411 -2.350) 7.215 8.213 ( 2.295 1.325 1.120) 2.877 8.244 ( 4.000 2.309 -2.149) 5.094 8.378 ( 4.907 2.833 1.694) 5.914 8.401 ( 5.973 3.449 -0.743) 6.937 9.127 ( -11.331 -6.542 7.610) 15.136 9.274 ( -10.160 -5.866 -7.506) 13.927 9.303 ( 0.923 0.533 6.186) 6.277 9.399 ( 1.807 1.043 5.773) 6.138 9.412 ( 0.755 0.436 -5.481) 5.550 9.521 ( 1.345 0.777 -7.274) 7.438 11.164 ( -2.631 -1.519 13.634) 13.968 11.168 ( -2.411 -1.392 15.577) 15.823 11.261 ( -0.941 -0.543 2.325) 2.566 11.341 ( -1.572 -0.908 -2.014) 2.711 11.441 ( -2.821 -1.629 -13.097) 13.497 11.462 ( -0.850 -0.491 -11.849) 11.890 14.923 ( -1.666 -0.962 1.873) 2.685 14.943 ( -2.398 -1.384 -0.268) 2.781 14.968 ( 0.528 0.305 3.929) 3.976 15.046 ( 0.169 0.097 -4.210) 4.215 15.119 ( 5.549 3.204 3.295) 7.206 15.200 ( 8.628 4.982 -5.094) 11.190 17.132 ( -2.853 -1.647 12.855) 13.270 17.336 ( -4.818 -2.782 -8.495) 10.154 ======================= Grid point 294 (43/50) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 5.033 2.906 15.717) 16.757 2.456 ( 10.707 6.182 18.799) 22.500 2.606 ( 1.251 0.722 -14.197) 14.270 2.793 ( 8.348 4.820 -16.408) 19.030 3.066 ( -2.717 -1.569 5.547) 6.373 3.170 ( 2.618 1.511 -4.596) 5.501 3.599 ( -3.645 -2.104 5.298) 6.767 3.681 ( -1.112 -0.642 -3.295) 3.536 3.748 ( 1.413 0.816 4.314) 4.612 3.823 ( 1.522 0.879 -3.267) 3.709 4.090 ( -12.190 -7.038 4.441) 14.759 4.176 ( -13.250 -7.650 -4.021) 15.819 4.401 ( -0.801 -0.462 2.488) 2.654 4.458 ( -1.029 -0.594 -2.245) 2.540 4.616 ( 5.963 3.443 9.179) 11.475 4.676 ( 0.096 0.056 1.698) 1.702 4.942 ( -2.975 -1.718 3.490) 4.897 4.981 ( -0.537 -0.310 0.940) 1.126 5.062 ( -0.678 -0.391 -7.713) 7.752 5.101 ( 0.365 0.211 -9.125) 9.135 5.499 ( 10.065 5.811 17.358) 20.890 5.680 ( -2.976 -1.718 2.318) 4.145 5.724 ( -3.099 -1.789 -1.372) 3.832 5.813 ( 10.136 5.852 -11.954) 16.730 6.008 ( 3.898 2.251 2.096) 4.965 6.070 ( 5.514 3.183 -4.193) 7.623 6.089 ( 4.636 2.676 4.415) 6.939 6.220 ( -0.059 -0.034 -8.179) 8.180 6.310 ( 5.659 3.267 -0.015) 6.535 6.398 ( 4.773 2.755 -7.321) 9.164 6.681 ( -0.156 -0.090 3.519) 3.523 6.778 ( 0.616 0.355 -5.835) 5.878 6.801 ( 3.517 2.031 1.507) 4.332 6.864 ( 5.038 2.908 -5.070) 7.716 7.368 ( 1.350 0.779 5.118) 5.350 7.396 ( -0.390 -0.225 8.014) 8.027 7.430 ( 2.087 1.205 1.167) 2.678 7.525 ( -1.011 -0.584 -5.281) 5.409 7.700 ( 2.064 1.192 -2.054) 3.146 7.763 ( 4.993 2.883 -6.508) 8.695 7.936 ( -2.560 -1.478 1.980) 3.557 7.997 ( -1.427 -0.824 -4.130) 4.447 8.212 ( -2.730 -1.576 6.447) 7.177 8.336 ( 2.473 1.428 -6.326) 6.941 8.457 ( 2.111 1.219 3.167) 3.996 8.505 ( 3.294 1.902 -1.815) 4.215 8.840 ( -13.816 -7.976 6.923) 17.390 8.995 ( -14.102 -8.142 -8.474) 18.357 9.329 ( 1.302 0.752 6.220) 6.399 9.430 ( 0.757 0.437 -4.545) 4.628 9.439 ( 2.472 1.427 4.970) 5.732 9.561 ( 2.483 1.434 -7.939) 8.440 11.096 ( -3.248 -1.875 10.064) 10.740 11.101 ( -3.375 -1.948 14.583) 15.095 11.206 ( -4.367 -2.521 -1.462) 5.250 11.309 ( -0.572 -0.330 3.339) 3.404 11.360 ( -4.225 -2.439 -12.593) 13.505 11.435 ( -1.693 -0.977 -9.066) 9.274 14.903 ( -0.195 -0.113 1.513) 1.529 14.923 ( 0.188 0.109 -0.600) 0.638 14.983 ( 0.785 0.453 3.337) 3.458 15.050 ( 0.176 0.102 -3.657) 3.662 15.247 ( 5.653 3.264 6.578) 9.267 15.395 ( 8.694 5.019 -8.988) 13.474 17.052 ( -4.034 -2.329 10.386) 11.382 17.199 ( -7.082 -4.089 -4.927) 9.548 ======================= Grid point 295 (44/50) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 3.580 2.067 10.141) 10.952 2.626 ( 0.377 0.218 -10.142) 10.151 2.703 ( 10.896 6.291 14.835) 19.452 2.980 ( 8.067 4.658 -13.092) 16.067 3.014 ( -1.493 -0.862 10.612) 10.751 3.213 ( 1.275 0.736 -8.661) 8.786 3.494 ( -5.530 -3.193 9.588) 11.520 3.616 ( -5.743 -3.316 -2.128) 6.964 3.740 ( -1.690 -0.976 3.806) 4.277 3.788 ( -3.334 -1.925 -0.903) 3.954 3.867 ( -6.786 -3.918 -2.529) 8.234 3.924 ( -8.084 -4.668 -6.534) 11.395 4.464 ( 4.625 2.670 0.979) 5.429 4.495 ( 3.265 1.885 -1.423) 4.030 4.654 ( -0.539 -0.311 3.739) 3.790 4.689 ( -0.264 -0.152 0.480) 0.569 4.945 ( 3.328 1.921 3.849) 5.438 5.013 ( 2.794 1.613 2.734) 4.229 5.063 ( 0.424 0.245 -7.064) 7.081 5.128 ( 1.464 0.845 -8.431) 8.599 5.563 ( -6.870 -3.966 2.883) 8.441 5.650 ( -3.517 -2.031 -6.307) 7.502 5.746 ( 11.735 6.775 18.270) 22.746 5.981 ( 4.811 2.778 -4.239) 6.988 6.069 ( 0.724 0.418 2.583) 2.715 6.148 ( 0.762 0.440 0.973) 1.312 6.154 ( 1.221 0.705 -5.582) 5.757 6.191 ( -1.343 -0.775 -3.307) 3.653 6.405 ( 2.968 1.713 3.151) 4.655 6.500 ( 4.107 2.371 -4.435) 6.493 6.721 ( 3.284 1.896 2.221) 4.395 6.823 ( 3.842 2.218 -6.794) 8.114 6.862 ( 1.896 1.095 4.281) 4.808 6.961 ( 2.984 1.723 -5.918) 6.848 7.394 ( 0.268 0.155 5.761) 5.769 7.413 ( 2.051 1.184 2.317) 3.314 7.480 ( 2.108 1.217 -3.573) 4.323 7.492 ( -1.737 -1.003 -4.333) 4.774 7.759 ( 3.714 2.144 3.429) 5.491 7.870 ( 4.102 2.368 -6.334) 7.909 7.945 ( 2.766 1.597 2.187) 3.871 8.007 ( 1.415 0.817 -4.044) 4.362 8.089 ( -7.608 -4.393 8.383) 12.143 8.287 ( -7.615 -4.396 -11.336) 14.346 8.477 ( 0.048 0.028 3.921) 3.922 8.545 ( 0.516 0.298 -3.167) 3.223 8.580 ( -8.168 -4.716 7.852) 12.272 8.736 ( -7.805 -4.506 -7.874) 11.968 9.353 ( 0.747 0.431 6.257) 6.316 9.443 ( 0.391 0.226 -3.197) 3.228 9.514 ( 3.955 2.283 3.653) 5.848 9.623 ( 2.572 1.485 -7.477) 8.045 11.034 ( -2.061 -1.190 6.069) 6.519 11.035 ( -2.304 -1.330 13.126) 13.393 11.099 ( -4.641 -2.679 -0.680) 5.402 11.274 ( -3.210 -1.853 -11.832) 12.399 11.308 ( 0.242 0.140 2.968) 2.981 11.392 ( -1.940 -1.120 -5.701) 6.125 14.908 ( 0.456 0.263 1.701) 1.780 14.936 ( 0.685 0.395 -1.199) 1.436 14.999 ( 0.609 0.352 2.609) 2.702 15.052 ( 0.053 0.031 -2.967) 2.968 15.352 ( 3.618 2.089 9.256) 10.155 15.559 ( 5.657 3.266 -12.317) 13.942 16.975 ( -2.533 -1.462 7.229) 7.798 17.051 ( -5.727 -3.307 -0.711) 6.651 ======================= Grid point 296 (45/50) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 0.000 0.000 6.939) 6.939 2.627 ( 0.000 0.000 -7.675) 7.675 2.853 ( 0.000 0.000 11.469) 11.469 3.002 ( 0.000 0.000 12.128) 12.128 3.089 ( 0.000 0.000 -10.551) 10.551 3.227 ( 0.000 0.000 -9.535) 9.535 3.427 ( 0.000 0.000 9.859) 9.859 3.491 ( 0.000 0.000 3.254) 3.254 3.715 ( 0.000 0.000 2.497) 2.497 3.741 ( -0.000 -0.000 0.413) 0.413 3.807 ( 0.000 0.000 -6.822) 6.822 3.836 ( 0.000 0.000 -8.522) 8.522 4.526 ( 0.000 0.000 0.658) 0.658 4.537 ( 0.000 0.000 0.537) 0.537 4.650 ( 0.000 0.000 2.023) 2.023 4.673 ( 0.000 0.000 0.158) 0.158 5.038 ( 0.000 0.000 -1.741) 1.741 5.048 ( -0.000 -0.000 -2.291) 2.291 5.054 ( 0.000 0.000 2.156) 2.156 5.145 ( 0.000 0.000 -6.744) 6.744 5.459 ( 0.000 0.000 5.098) 5.098 5.600 ( -0.000 -0.000 -10.005) 10.005 5.968 ( -0.000 -0.000 10.857) 10.857 5.972 ( 0.000 0.000 9.129) 9.129 6.051 ( 0.000 0.000 1.186) 1.186 6.146 ( 0.000 0.000 0.938) 0.938 6.160 ( 0.000 0.000 -6.774) 6.774 6.181 ( 0.000 0.000 -3.454) 3.454 6.444 ( 0.000 0.000 3.014) 3.014 6.543 ( 0.000 0.000 -4.620) 4.620 6.775 ( 0.000 0.000 4.140) 4.140 6.883 ( 0.000 0.000 5.470) 5.470 6.886 ( 0.000 0.000 -6.313) 6.313 6.992 ( 0.000 0.000 -5.808) 5.808 7.400 ( 0.000 0.000 3.947) 3.947 7.435 ( 0.000 0.000 1.987) 1.987 7.469 ( 0.000 0.000 -3.184) 3.184 7.509 ( 0.000 0.000 -4.697) 4.697 7.844 ( 0.000 0.000 1.260) 1.260 7.923 ( 0.000 0.000 -6.889) 6.889 7.956 ( 0.000 0.000 8.649) 8.649 8.004 ( 0.000 0.000 -0.046) 0.046 8.013 ( -0.000 -0.000 -0.999) 0.999 8.144 ( 0.000 0.000 -11.540) 11.540 8.476 ( 0.000 0.000 3.428) 3.428 8.497 ( 0.000 0.000 8.515) 8.515 8.545 ( 0.000 0.000 -3.718) 3.718 8.656 ( 0.000 0.000 -7.770) 7.770 9.360 ( 0.000 0.000 6.441) 6.441 9.447 ( 0.000 0.000 -2.591) 2.591 9.570 ( 0.000 0.000 2.044) 2.044 9.651 ( 0.000 0.000 -5.853) 5.853 11.009 ( 0.000 0.000 12.328) 12.328 11.021 ( 0.000 0.000 2.326) 2.326 11.031 ( 0.000 0.000 1.398) 1.398 11.236 ( 0.000 0.000 -11.405) 11.405 11.313 ( 0.000 0.000 2.037) 2.037 11.367 ( 0.000 0.000 -3.591) 3.591 14.915 ( 0.000 0.000 1.754) 1.754 14.944 ( 0.000 0.000 -1.390) 1.390 15.006 ( 0.000 0.000 2.240) 2.240 15.053 ( 0.000 0.000 -2.614) 2.614 15.394 ( 0.000 0.000 10.335) 10.335 15.624 ( 0.000 0.000 -13.729) 13.729 16.953 ( 0.000 0.000 4.633) 4.633 16.976 ( -0.000 -0.000 2.391) 2.391 ======================= Grid point 302 (46/50) ======================= q-point: ( 0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 3.013 5.219 16.642) 17.699 2.384 ( 5.029 8.710 19.452) 21.898 2.599 ( 0.747 1.294 -14.601) 14.677 2.739 ( 4.067 7.045 -17.173) 19.002 3.116 ( -0.234 -0.406 1.324) 1.404 3.133 ( 1.636 2.834 -0.119) 3.274 3.636 ( -0.952 -1.648 2.742) 3.338 3.682 ( -0.319 -0.553 -2.093) 2.188 3.737 ( 1.273 2.205 3.868) 4.631 3.803 ( 1.535 2.658 -2.789) 4.147 4.214 ( -5.791 -10.031 6.059) 13.072 4.249 ( -5.886 -10.195 1.378) 11.853 4.388 ( -4.287 -7.424 -1.168) 8.652 4.397 ( -3.105 -5.377 -1.281) 6.340 4.605 ( 4.057 7.026 8.878) 12.027 4.678 ( -0.160 -0.277 1.382) 1.419 4.964 ( -2.075 -3.594 2.739) 4.972 4.986 ( -1.541 -2.669 0.250) 3.092 5.081 ( 0.539 0.934 -7.321) 7.400 5.096 ( -0.659 -1.142 -8.390) 8.493 5.429 ( 4.405 7.630 14.556) 17.014 5.689 ( 2.208 3.825 -5.918) 7.384 5.781 ( 3.766 6.522 -0.298) 7.537 5.783 ( 0.496 0.859 0.655) 1.188 5.912 ( 1.132 1.961 0.827) 2.410 5.973 ( -0.178 -0.309 -4.455) 4.470 6.129 ( 5.343 9.254 2.348) 10.940 6.246 ( 2.656 4.600 -9.123) 10.556 6.288 ( 4.139 7.168 -0.952) 8.332 6.371 ( 3.107 5.382 -8.047) 10.168 6.635 ( -2.574 -4.459 3.602) 6.284 6.725 ( -1.295 -2.243 -5.009) 5.639 6.831 ( 3.705 6.417 -0.563) 7.431 6.865 ( 3.128 5.418 -3.549) 7.193 7.351 ( -0.293 -0.507 6.014) 6.042 7.402 ( 0.237 0.410 3.405) 3.438 7.426 ( 1.013 1.754 7.948) 8.202 7.533 ( 0.051 0.088 -4.351) 4.352 7.691 ( 1.950 3.378 -4.734) 6.134 7.706 ( -0.312 -0.541 -7.051) 7.078 7.980 ( -1.087 -1.883 0.623) 2.262 8.005 ( -1.339 -2.319 -2.092) 3.398 8.236 ( -0.377 -0.653 3.674) 3.751 8.304 ( 2.213 3.834 -3.120) 5.416 8.449 ( 1.839 3.186 1.575) 4.001 8.474 ( 1.782 3.086 -1.299) 3.793 8.915 ( -8.302 -14.379 7.043) 18.035 9.073 ( -8.414 -14.573 -8.692) 18.940 9.333 ( 1.438 2.490 5.128) 5.879 9.382 ( -0.113 -0.195 2.072) 2.084 9.469 ( 1.966 3.405 -0.730) 3.999 9.550 ( 1.335 2.312 -7.411) 7.877 11.095 ( -2.867 -4.966 12.792) 14.018 11.131 ( -1.495 -2.590 11.468) 11.851 11.254 ( -0.621 -1.075 2.652) 2.928 11.278 ( -2.806 -4.860 -1.845) 5.908 11.421 ( -1.390 -2.408 -9.949) 10.330 11.423 ( -0.801 -1.388 -10.251) 10.375 14.908 ( -0.268 -0.464 0.911) 1.056 14.911 ( -0.664 -1.149 0.581) 1.449 14.992 ( 1.021 1.768 2.765) 3.437 15.050 ( 0.353 0.611 -3.018) 3.099 15.212 ( 3.234 5.602 5.205) 8.303 15.339 ( 5.013 8.682 -7.904) 12.767 17.076 ( -2.301 -3.986 11.155) 12.067 17.240 ( -3.945 -6.832 -6.004) 9.914 ======================= Grid point 303 (47/50) ======================= q-point: ( 0.25 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 3.035 4.682 11.290) 12.593 2.563 ( 7.072 3.631 9.340) 12.265 2.629 ( 2.383 2.009 -3.687) 4.828 2.860 ( 4.256 1.335 -11.157) 12.015 3.131 ( -1.051 8.859 3.546) 9.600 3.208 ( 3.513 3.498 -2.488) 5.547 3.584 ( -5.145 0.187 3.918) 6.470 3.656 ( -2.028 -1.939 -3.061) 4.152 3.752 ( -0.953 -0.722 3.724) 3.912 3.801 ( -1.200 -3.051 -0.942) 3.412 3.983 ( -10.732 -4.389 0.659) 11.613 4.031 ( -10.357 -7.295 -3.801) 13.226 4.324 ( 4.867 -6.255 1.118) 8.004 4.366 ( 5.719 -8.157 -2.779) 10.342 4.667 ( -0.012 0.468 3.368) 3.400 4.700 ( 0.996 2.892 0.940) 3.200 4.940 ( 0.757 1.544 4.658) 4.965 4.967 ( 1.297 -0.486 0.708) 1.556 5.086 ( -0.605 2.827 -5.804) 6.484 5.143 ( 2.509 4.295 -8.874) 10.173 5.572 ( 3.758 2.416 11.752) 12.572 5.674 ( -4.142 -2.879 -0.438) 5.063 5.751 ( -3.420 5.827 4.588) 8.167 5.888 ( 5.904 -2.498 -2.565) 6.905 5.973 ( 4.685 -4.124 0.428) 6.256 6.050 ( 4.639 4.724 -3.354) 7.422 6.258 ( 0.176 7.083 -0.301) 7.091 6.290 ( -2.058 5.222 -2.465) 6.130 6.435 ( 1.577 9.803 -1.635) 10.063 6.465 ( 2.031 4.742 -3.027) 5.981 6.618 ( 6.718 -2.548 2.662) 7.662 6.721 ( 4.894 -2.352 -6.836) 8.730 6.920 ( -0.993 5.533 -0.076) 5.622 6.956 ( 1.823 3.846 -3.702) 5.641 7.365 ( 1.962 0.624 4.002) 4.501 7.424 ( 1.081 1.784 1.361) 2.491 7.464 ( 0.306 3.089 2.945) 4.279 7.543 ( -0.838 2.521 -3.570) 4.450 7.688 ( 1.569 -1.915 -0.735) 2.583 7.748 ( 5.333 -3.628 -5.127) 8.240 7.993 ( -0.173 5.473 -0.043) 5.475 8.015 ( 0.793 2.356 -1.631) 2.974 8.177 ( -5.201 -1.579 8.278) 9.903 8.332 ( -1.085 -2.422 -3.900) 4.718 8.459 ( -2.400 -3.140 0.576) 3.994 8.501 ( 1.584 -3.089 -2.309) 4.169 8.652 ( -7.049 -8.838 3.255) 11.764 8.775 ( -8.448 -13.793 -8.442) 18.245 9.385 ( 0.164 4.874 4.926) 6.931 9.416 ( 2.865 1.808 2.129) 4.001 9.533 ( 0.989 5.262 0.292) 5.363 9.609 ( 2.120 3.453 -7.348) 8.391 11.004 ( -1.522 -5.510 10.716) 12.146 11.068 ( -2.552 -3.245 7.649) 8.692 11.157 ( -5.359 -3.273 -0.598) 6.307 11.220 ( -0.310 -6.823 -2.389) 7.236 11.374 ( -2.337 1.767 -4.926) 5.731 11.406 ( -0.573 -1.239 -6.271) 6.418 14.898 ( 0.083 -0.467 1.153) 1.246 14.911 ( 0.981 -0.819 -0.209) 1.295 15.026 ( -0.132 3.516 1.940) 4.018 15.068 ( 0.321 1.915 -2.245) 2.968 15.312 ( 3.458 3.050 8.151) 9.365 15.500 ( 5.614 5.441 -11.359) 13.790 16.996 ( -2.603 -3.222 8.423) 9.387 17.099 ( -5.037 -5.945 -2.236) 8.107 ======================= Grid point 304 (48/50) ======================= q-point: ( 0.38 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 0.827 2.413 6.435) 6.923 2.606 ( 1.289 -2.177 -6.216) 6.711 2.754 ( 6.734 -1.074 10.004) 12.107 2.900 ( 2.369 -2.719 -1.847) 4.052 3.252 ( -0.187 15.232 0.612) 15.245 3.314 ( 1.688 9.039 -1.670) 9.345 3.470 ( -7.832 0.402 6.679) 10.301 3.552 ( -7.835 -1.358 0.080) 7.952 3.723 ( -1.074 -0.931 2.282) 2.688 3.742 ( -1.265 -2.238 0.539) 2.627 3.822 ( -3.731 -1.555 -5.032) 6.454 3.855 ( -4.084 -2.628 -7.602) 9.021 4.359 ( 8.396 -11.804 1.521) 14.565 4.382 ( 7.642 -12.581 -1.029) 14.756 4.681 ( -1.546 3.306 1.154) 3.828 4.724 ( -0.603 2.999 -2.455) 3.922 5.009 ( 3.386 2.111 1.292) 4.195 5.032 ( 3.963 4.147 2.547) 6.277 5.099 ( -1.252 1.894 -2.301) 3.232 5.204 ( -1.961 4.899 -8.282) 9.820 5.488 ( -5.210 -2.928 4.235) 7.325 5.598 ( -3.253 -2.392 -6.827) 7.932 5.844 ( 8.014 -1.458 9.741) 12.698 5.946 ( 4.778 -1.959 2.162) 5.599 6.009 ( 4.271 -5.650 1.165) 7.178 6.057 ( -3.715 -2.634 2.069) 5.002 6.293 ( -3.919 8.709 0.708) 9.576 6.313 ( -2.955 7.311 -0.571) 7.906 6.504 ( -1.871 7.613 -1.162) 7.925 6.537 ( 0.658 2.758 -2.883) 4.044 6.746 ( 5.188 2.927 2.348) 6.403 6.825 ( 5.975 -0.348 -5.604) 8.199 6.922 ( -2.229 2.394 1.749) 3.709 6.987 ( 0.478 -0.155 -4.773) 4.799 7.408 ( 0.892 2.252 4.235) 4.879 7.446 ( -1.099 1.588 2.480) 3.143 7.502 ( 0.519 3.198 -3.295) 4.621 7.531 ( -3.030 2.589 -3.872) 5.557 7.753 ( 7.332 -1.191 0.260) 7.433 7.806 ( 5.765 -5.460 -4.091) 8.932 7.969 ( -3.635 -3.759 7.943) 9.510 8.039 ( -0.726 0.581 -1.567) 1.822 8.098 ( -4.995 3.764 0.543) 6.277 8.223 ( -7.299 0.644 -10.371) 12.699 8.357 ( 2.894 -9.689 7.378) 12.518 8.480 ( 2.306 -7.139 -4.113) 8.556 8.547 ( -2.093 -1.288 1.107) 2.695 8.624 ( 0.371 -5.327 -7.043) 8.838 9.423 ( -2.331 6.378 5.487) 8.730 9.468 ( -0.130 3.161 0.956) 3.305 9.603 ( 0.453 5.590 0.423) 5.624 9.661 ( 0.193 2.182 -5.208) 5.650 10.956 ( 1.581 -4.556 9.231) 10.415 11.009 ( -0.334 -2.352 3.811) 4.491 11.049 ( -3.115 -3.449 1.108) 4.777 11.156 ( 1.782 -7.264 -6.612) 9.983 11.369 ( -1.686 3.164 -1.845) 4.032 11.387 ( -1.263 0.863 -3.011) 3.378 14.898 ( 0.605 -0.877 1.384) 1.746 14.919 ( 1.156 -1.456 -0.812) 2.029 15.049 ( -1.605 3.999 1.875) 4.700 15.089 ( -1.039 3.192 -2.392) 4.122 15.374 ( 2.007 0.003 10.409) 10.601 15.606 ( 2.660 1.539 -13.811) 14.149 16.947 ( -0.343 -1.317 5.497) 5.663 16.986 ( -2.628 -3.212 1.510) 4.417 ======================= Grid point 311 (49/50) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 1.683 2.915 5.406) 6.368 2.575 ( -0.728 -1.261 -3.701) 3.977 2.688 ( 1.863 3.226 9.929) 10.605 2.877 ( 0.568 0.983 -6.744) 6.839 3.315 ( 4.367 7.563 4.427) 9.791 3.331 ( 5.228 9.055 2.130) 10.670 3.591 ( 0.364 0.630 1.138) 1.351 3.623 ( -0.169 -0.293 -1.178) 1.226 3.725 ( -1.028 -1.781 2.230) 3.033 3.743 ( -1.426 -2.470 0.491) 2.894 3.900 ( -3.621 -6.272 -4.483) 8.517 3.902 ( -2.741 -4.748 -3.594) 6.555 4.169 ( -5.351 -9.268 0.712) 10.726 4.199 ( -4.304 -7.455 -2.373) 8.930 4.724 ( 2.712 4.698 -0.491) 5.447 4.744 ( 1.372 2.376 -2.226) 3.533 4.982 ( 1.151 1.993 0.820) 2.443 5.006 ( 3.070 5.317 2.016) 6.462 5.121 ( 0.243 0.421 -0.421) 0.643 5.243 ( 2.653 4.596 -8.859) 10.327 5.554 ( -4.128 -7.150 4.321) 9.319 5.632 ( 0.408 0.707 0.810) 1.149 5.771 ( -2.530 -4.382 -0.439) 5.079 5.829 ( 0.313 0.543 -3.441) 3.498 5.959 ( 0.926 1.604 12.712) 12.847 6.081 ( -1.711 -2.963 1.762) 3.849 6.361 ( 1.571 2.722 0.826) 3.250 6.378 ( 3.107 5.381 -0.886) 6.276 6.562 ( 2.368 4.101 0.284) 4.744 6.602 ( 2.365 4.096 -2.359) 5.285 6.697 ( 5.834 10.106 -1.630) 11.782 6.739 ( 3.653 6.328 -5.617) 9.216 6.969 ( -0.270 -0.468 -2.384) 2.445 6.971 ( -0.739 -1.281 -1.991) 2.480 7.411 ( 2.071 3.587 3.025) 5.129 7.470 ( 1.337 2.315 -0.870) 2.812 7.528 ( 1.554 2.692 5.041) 5.922 7.597 ( 0.600 1.040 -4.336) 4.499 7.677 ( -1.075 -1.861 -2.612) 3.383 7.686 ( 1.978 3.426 -2.580) 4.723 7.998 ( -3.070 -5.318 5.677) 8.363 8.031 ( -1.837 -3.182 0.793) 3.759 8.208 ( 1.345 2.330 2.441) 3.633 8.230 ( -2.609 -4.519 6.443) 8.292 8.349 ( -3.585 -6.210 -9.640) 12.014 8.371 ( -4.632 -8.023 -6.351) 11.232 8.558 ( -1.628 -2.820 -2.147) 3.900 8.581 ( -2.690 -4.658 -4.469) 6.994 9.481 ( 2.598 4.499 3.913) 6.504 9.496 ( 2.925 5.067 2.945) 6.550 9.624 ( 2.434 4.215 1.085) 4.987 9.676 ( 1.688 2.923 -4.893) 5.944 10.914 ( -1.928 -3.339 8.851) 9.654 10.998 ( -1.858 -3.218 3.953) 5.425 11.079 ( -2.795 -4.841 -4.658) 7.277 11.079 ( -3.802 -6.585 -0.978) 7.666 11.402 ( 0.325 0.563 -2.483) 2.567 11.402 ( 0.526 0.912 -2.473) 2.687 14.890 ( -0.151 -0.262 0.852) 0.904 14.899 ( -0.226 -0.392 -0.113) 0.467 15.095 ( 1.731 2.998 0.469) 3.494 15.112 ( 1.353 2.344 -1.000) 2.885 15.351 ( 0.598 1.036 10.447) 10.516 15.587 ( 1.934 3.349 -13.946) 14.473 16.943 ( -1.145 -1.982 6.075) 6.492 16.993 ( -2.667 -4.619 0.914) 5.411 ======================= Grid point 312 (50/50) ======================= q-point: ( 0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -0.906 1.569 2.286) 2.917 2.555 ( 1.453 -2.517 -2.120) 3.597 2.722 ( 0.641 -1.110 9.010) 9.100 2.889 ( -0.285 0.494 -5.695) 5.724 3.407 ( -0.497 0.861 6.331) 6.408 3.419 ( -0.190 0.329 4.115) 4.132 3.599 ( -7.953 13.775 3.430) 16.271 3.671 ( -4.316 7.475 -0.828) 8.671 3.699 ( 0.482 -0.835 2.022) 2.240 3.721 ( -1.202 2.082 0.805) 2.536 3.800 ( 0.322 -0.557 -3.742) 3.797 3.832 ( -0.498 0.863 -8.356) 8.416 4.091 ( 8.733 -15.126 -1.746) 17.553 4.100 ( 7.654 -13.258 -2.469) 15.506 4.769 ( -2.488 4.309 -0.953) 5.066 4.786 ( -1.802 3.121 -2.367) 4.312 5.019 ( 0.263 -0.455 -0.442) 0.687 5.065 ( 1.695 -2.936 -5.424) 6.396 5.153 ( -2.579 4.466 6.695) 8.451 5.248 ( 0.215 -0.372 -1.715) 1.768 5.497 ( -1.958 3.391 -0.627) 3.965 5.577 ( 0.207 -0.359 -7.303) 7.315 5.750 ( 2.519 -4.362 5.993) 7.829 5.853 ( 2.977 -5.156 -5.441) 8.066 5.984 ( 0.081 -0.140 10.409) 10.410 6.013 ( 0.730 -1.264 7.057) 7.206 6.392 ( -1.166 2.019 3.173) 3.938 6.432 ( -2.376 4.115 -0.698) 4.803 6.608 ( -1.727 2.991 -1.669) 3.835 6.623 ( -1.541 2.669 -3.049) 4.335 6.837 ( -1.289 2.233 -2.392) 3.517 6.844 ( -3.285 5.689 -1.075) 6.656 6.940 ( 0.185 -0.321 -1.826) 1.863 6.956 ( 1.411 -2.444 -3.398) 4.417 7.465 ( -0.804 1.392 2.117) 2.658 7.477 ( -1.347 2.333 2.730) 3.835 7.558 ( -1.391 2.410 0.358) 2.806 7.570 ( -0.542 0.939 -1.301) 1.694 7.675 ( 2.850 -4.936 2.840) 6.368 7.801 ( -2.104 3.643 -7.490) 8.591 7.916 ( 1.216 -2.107 2.924) 3.803 7.921 ( 3.776 -6.541 2.031) 7.821 8.172 ( -0.382 0.662 -1.237) 1.455 8.185 ( 2.163 -3.746 -1.891) 4.721 8.320 ( 2.847 -4.930 -1.272) 5.833 8.326 ( -1.982 3.434 -2.632) 4.759 8.523 ( 0.570 -0.988 -3.126) 3.328 8.545 ( 1.806 -3.128 -5.463) 6.549 9.532 ( -1.396 2.418 3.364) 4.371 9.547 ( -2.800 4.850 2.324) 6.063 9.688 ( -0.528 0.915 -0.374) 1.121 9.690 ( -1.287 2.229 -0.421) 2.608 10.885 ( 1.292 -2.239 7.586) 8.014 10.979 ( 0.477 -0.826 0.001) 0.954 10.981 ( 1.134 -1.964 2.031) 3.045 11.035 ( 2.677 -4.637 -5.943) 7.999 11.410 ( -0.542 0.939 -1.387) 1.761 11.410 ( -0.614 1.063 -1.584) 2.004 14.888 ( 0.077 -0.133 0.777) 0.793 14.896 ( 0.477 -0.827 -0.070) 0.957 15.123 ( -1.743 3.018 0.340) 3.502 15.141 ( -0.841 1.456 -1.614) 2.331 15.359 ( 0.588 -1.019 12.102) 12.160 15.620 ( -0.077 0.133 -15.167) 15.167 16.929 ( 0.309 -0.535 4.310) 4.354 16.941 ( 0.725 -1.255 3.073) 3.398 =================== 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 3/38016 10.0 4675.757 4675.757 4024.904 0.000 0.000 -0.000 3/38016 20.0 544.048 544.048 613.388 0.000 0.000 -0.000 3/38016 30.0 122.748 122.748 144.557 0.000 0.000 -0.000 3/38016 40.0 49.189 49.189 59.044 0.000 0.000 -0.000 3/38016 50.0 26.231 26.231 31.872 0.000 0.000 -0.000 3/38016 60.0 16.532 16.532 20.281 0.000 0.000 -0.000 3/38016 70.0 11.610 11.610 14.355 0.000 0.000 -0.000 3/38016 80.0 8.780 8.780 10.929 0.000 0.000 -0.000 3/38016 90.0 6.999 6.999 8.763 0.000 0.000 -0.000 3/38016 100.0 5.799 5.799 7.296 0.000 0.000 -0.000 3/38016 110.0 4.945 4.945 6.249 0.000 0.000 -0.000 3/38016 120.0 4.311 4.311 5.470 0.000 0.000 -0.000 3/38016 130.0 3.824 3.824 4.869 0.000 0.000 -0.000 3/38016 140.0 3.438 3.438 4.393 0.000 0.000 -0.000 3/38016 150.0 3.126 3.126 4.007 0.000 0.000 -0.000 3/38016 160.0 2.868 2.868 3.687 0.000 0.000 -0.000 3/38016 170.0 2.651 2.651 3.418 0.000 0.000 -0.000 3/38016 180.0 2.466 2.466 3.188 0.000 0.000 -0.000 3/38016 190.0 2.307 2.307 2.989 0.000 0.000 -0.000 3/38016 200.0 2.168 2.168 2.815 0.000 0.000 -0.000 3/38016 210.0 2.046 2.046 2.662 0.000 0.000 -0.000 3/38016 220.0 1.937 1.937 2.526 0.000 0.000 -0.000 3/38016 230.0 1.840 1.840 2.404 0.000 0.000 -0.000 3/38016 240.0 1.753 1.753 2.294 0.000 0.000 -0.000 3/38016 250.0 1.674 1.674 2.194 0.000 0.000 -0.000 3/38016 260.0 1.602 1.602 2.103 0.000 0.000 -0.000 3/38016 270.0 1.536 1.536 2.019 0.000 0.000 -0.000 3/38016 280.0 1.476 1.476 1.943 0.000 0.000 -0.000 3/38016 290.0 1.421 1.421 1.872 0.000 0.000 -0.000 3/38016 300.0 1.369 1.369 1.806 0.000 0.000 -0.000 3/38016 310.0 1.322 1.322 1.745 0.000 0.000 -0.000 3/38016 320.0 1.277 1.277 1.688 0.000 0.000 -0.000 3/38016 330.0 1.236 1.236 1.635 0.000 0.000 -0.000 3/38016 340.0 1.197 1.197 1.586 0.000 0.000 -0.000 3/38016 350.0 1.161 1.161 1.539 0.000 0.000 -0.000 3/38016 360.0 1.127 1.127 1.495 0.000 0.000 -0.000 3/38016 370.0 1.095 1.095 1.453 0.000 0.000 -0.000 3/38016 380.0 1.065 1.065 1.414 0.000 0.000 -0.000 3/38016 390.0 1.036 1.036 1.377 0.000 0.000 -0.000 3/38016 400.0 1.009 1.009 1.342 0.000 0.000 -0.000 3/38016 410.0 0.983 0.983 1.309 0.000 0.000 -0.000 3/38016 420.0 0.959 0.959 1.277 0.000 0.000 -0.000 3/38016 430.0 0.936 0.936 1.247 0.000 0.000 -0.000 3/38016 440.0 0.914 0.914 1.218 0.000 0.000 -0.000 3/38016 450.0 0.893 0.893 1.191 0.000 0.000 -0.000 3/38016 460.0 0.873 0.873 1.164 0.000 0.000 -0.000 3/38016 470.0 0.854 0.854 1.139 0.000 0.000 -0.000 3/38016 480.0 0.835 0.835 1.115 0.000 0.000 -0.000 3/38016 490.0 0.818 0.818 1.092 0.000 0.000 -0.000 3/38016 500.0 0.801 0.801 1.070 0.000 0.000 -0.000 3/38016 510.0 0.785 0.785 1.049 0.000 0.000 -0.000 3/38016 520.0 0.769 0.769 1.029 0.000 0.000 -0.000 3/38016 530.0 0.754 0.754 1.009 0.000 0.000 -0.000 3/38016 540.0 0.740 0.740 0.990 0.000 0.000 -0.000 3/38016 550.0 0.726 0.726 0.972 0.000 0.000 -0.000 3/38016 560.0 0.713 0.713 0.955 0.000 0.000 -0.000 3/38016 570.0 0.700 0.700 0.938 0.000 0.000 -0.000 3/38016 580.0 0.688 0.688 0.922 0.000 0.000 -0.000 3/38016 590.0 0.676 0.676 0.906 0.000 0.000 -0.000 3/38016 600.0 0.665 0.665 0.891 0.000 0.000 -0.000 3/38016 610.0 0.654 0.654 0.876 0.000 0.000 -0.000 3/38016 620.0 0.643 0.643 0.862 0.000 0.000 -0.000 3/38016 630.0 0.633 0.633 0.848 0.000 0.000 -0.000 3/38016 640.0 0.623 0.623 0.835 0.000 0.000 -0.000 3/38016 650.0 0.613 0.613 0.822 0.000 0.000 -0.000 3/38016 660.0 0.603 0.603 0.810 0.000 0.000 -0.000 3/38016 670.0 0.594 0.594 0.797 0.000 0.000 -0.000 3/38016 680.0 0.585 0.585 0.786 0.000 0.000 -0.000 3/38016 690.0 0.577 0.577 0.774 0.000 0.000 -0.000 3/38016 700.0 0.568 0.568 0.763 0.000 0.000 -0.000 3/38016 710.0 0.560 0.560 0.752 0.000 0.000 -0.000 3/38016 720.0 0.552 0.552 0.742 0.000 0.000 -0.000 3/38016 730.0 0.545 0.545 0.732 0.000 0.000 -0.000 3/38016 740.0 0.537 0.537 0.722 0.000 0.000 -0.000 3/38016 750.0 0.530 0.530 0.712 0.000 0.000 -0.000 3/38016 760.0 0.523 0.523 0.703 0.000 0.000 -0.000 3/38016 770.0 0.516 0.516 0.694 0.000 0.000 -0.000 3/38016 780.0 0.510 0.510 0.685 0.000 0.000 -0.000 3/38016 790.0 0.503 0.503 0.676 0.000 0.000 -0.000 3/38016 800.0 0.497 0.497 0.668 0.000 0.000 -0.000 3/38016 810.0 0.490 0.490 0.659 0.000 0.000 -0.000 3/38016 820.0 0.484 0.484 0.651 0.000 0.000 -0.000 3/38016 830.0 0.479 0.479 0.643 0.000 0.000 -0.000 3/38016 840.0 0.473 0.473 0.636 0.000 0.000 -0.000 3/38016 850.0 0.467 0.467 0.628 0.000 0.000 -0.000 3/38016 860.0 0.462 0.462 0.621 0.000 0.000 -0.000 3/38016 870.0 0.456 0.456 0.614 0.000 0.000 -0.000 3/38016 880.0 0.451 0.451 0.607 0.000 0.000 -0.000 3/38016 890.0 0.446 0.446 0.600 0.000 0.000 -0.000 3/38016 900.0 0.441 0.441 0.593 0.000 0.000 -0.000 3/38016 910.0 0.436 0.436 0.587 0.000 0.000 -0.000 3/38016 920.0 0.431 0.431 0.580 0.000 0.000 -0.000 3/38016 930.0 0.427 0.427 0.574 0.000 0.000 -0.000 3/38016 940.0 0.422 0.422 0.568 0.000 0.000 -0.000 3/38016 950.0 0.418 0.418 0.562 0.000 0.000 -0.000 3/38016 960.0 0.413 0.413 0.556 0.000 0.000 -0.000 3/38016 970.0 0.409 0.409 0.551 0.000 0.000 -0.000 3/38016 980.0 0.405 0.405 0.545 0.000 0.000 -0.000 3/38016 990.0 0.401 0.401 0.539 0.000 0.000 -0.000 3/38016 1000.0 0.397 0.397 0.534 0.000 0.000 -0.000 3/38016 Thermal conductivity related properties were written into "kappa-m889.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:15:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|