----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:20:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.581832465573628 1.490621669001446 4.693212749999995 b -2.581832465573622 1.490621669001446 4.693212749999995 c 0.000000000000002 -2.981243338002897 4.693212749999995 Atomic positions (fractional): *1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 *2 F 0.38838931246236 0.74834077702262 0.11368280121951 18.998 3 F 0.11368280121951 0.38838931246236 0.74834077702262 18.998 4 F 0.74834077702261 0.11368280121951 0.38838931246236 18.998 5 F 0.88631719878049 0.61161068753764 0.25165922297739 18.998 6 F 0.25165922297739 0.88631719878049 0.61161068753764 18.998 7 F 0.61161068753764 0.25165922297739 0.88631719878049 18.998 *8 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.163664931147251 0.000000000000000 0.000000000000000 b -2.581832465573625 4.471865007004343 0.000000000000000 c 0.000000000000000 0.000000000000000 14.079638250000002 Atomic positions (fractional): *1 Li 0.33333333333333 0.66666666666667 0.16666666666667 6.941 > 1 2 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 3 Li 0.66666666666667 0.33333333333333 0.83333333333333 6.941 > 1 *4 F 0.30491834889420 0.96978816234865 0.08347096356816 18.998 > 2 5 F 0.03021183765135 0.33513018654554 0.08347096356816 18.998 > 3 6 F 0.66486981345445 0.69508165110580 0.08347096356816 18.998 > 4 7 F 0.63645482901532 0.99820314678779 0.24986236976517 18.998 > 5 8 F 0.00179685321221 0.63825168222753 0.24986236976517 18.998 > 6 9 F 0.36174831777247 0.36354517098468 0.24986236976517 18.998 > 7 10 F 0.97158501556086 0.30312149568199 0.41680429690149 18.998 > 2 11 F 0.69687850431801 0.66846351987888 0.41680429690149 18.998 > 3 12 F 0.33153648012112 0.02841498443913 0.41680429690149 18.998 > 4 13 F 0.30312149568199 0.33153648012112 0.58319570309851 18.998 > 5 14 F 0.66846351987888 0.97158501556086 0.58319570309851 18.998 > 6 15 F 0.02841498443913 0.69687850431801 0.58319570309851 18.998 > 7 16 F 0.63825168222753 0.63645482901532 0.75013763023483 18.998 > 2 17 F 0.36354517098468 0.00179685321221 0.75013763023483 18.998 > 3 18 F 0.99820314678779 0.36174831777247 0.75013763023483 18.998 > 4 19 F 0.96978816234865 0.66486981345445 0.91652903643184 18.998 > 5 20 F 0.33513018654554 0.30491834889420 0.91652903643184 18.998 > 6 21 F 0.69508165110580 0.03021183765135 0.91652903643184 18.998 > 7 *22 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 8 23 Bi 0.66666666666667 0.33333333333333 0.33333333333333 208.980 > 8 24 Bi 0.33333333333333 0.66666666666667 0.66666666666667 208.980 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.327329862294501 0.000000000000000 0.000000000000000 b -5.163664931147250 8.943730014008686 0.000000000000000 c 0.000000000000000 0.000000000000000 14.079638250000002 Atomic positions (fractional): *1 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 *13 F 0.15245917444710 0.48489408117433 0.08347096356816 18.998 > 2 14 F 0.65245917444710 0.48489408117433 0.08347096356816 18.998 > 2 15 F 0.15245917444710 0.98489408117433 0.08347096356816 18.998 > 2 16 F 0.65245917444710 0.98489408117433 0.08347096356816 18.998 > 2 17 F 0.01510591882567 0.16756509327277 0.08347096356816 18.998 > 3 18 F 0.51510591882567 0.16756509327277 0.08347096356816 18.998 > 3 19 F 0.01510591882567 0.66756509327277 0.08347096356816 18.998 > 3 20 F 0.51510591882567 0.66756509327277 0.08347096356816 18.998 > 3 21 F 0.33243490672723 0.34754082555290 0.08347096356816 18.998 > 4 22 F 0.83243490672723 0.34754082555290 0.08347096356816 18.998 > 4 23 F 0.33243490672723 0.84754082555290 0.08347096356816 18.998 > 4 24 F 0.83243490672723 0.84754082555290 0.08347096356816 18.998 > 4 25 F 0.31822741450766 0.49910157339389 0.24986236976517 18.998 > 5 26 F 0.81822741450766 0.49910157339389 0.24986236976517 18.998 > 5 27 F 0.31822741450766 0.99910157339389 0.24986236976517 18.998 > 5 28 F 0.81822741450766 0.99910157339389 0.24986236976517 18.998 > 5 29 F 0.00089842660611 0.31912584111377 0.24986236976517 18.998 > 6 30 F 0.50089842660611 0.31912584111377 0.24986236976517 18.998 > 6 31 F 0.00089842660611 0.81912584111377 0.24986236976517 18.998 > 6 32 F 0.50089842660611 0.81912584111377 0.24986236976517 18.998 > 6 33 F 0.18087415888623 0.18177258549234 0.24986236976517 18.998 > 7 34 F 0.68087415888623 0.18177258549234 0.24986236976517 18.998 > 7 35 F 0.18087415888623 0.68177258549234 0.24986236976517 18.998 > 7 36 F 0.68087415888623 0.68177258549234 0.24986236976517 18.998 > 7 37 F 0.48579250778043 0.15156074784099 0.41680429690149 18.998 > 2 38 F 0.98579250778043 0.15156074784099 0.41680429690149 18.998 > 2 39 F 0.48579250778043 0.65156074784099 0.41680429690149 18.998 > 2 40 F 0.98579250778043 0.65156074784099 0.41680429690149 18.998 > 2 41 F 0.34843925215901 0.33423175993944 0.41680429690149 18.998 > 3 42 F 0.84843925215901 0.33423175993944 0.41680429690149 18.998 > 3 43 F 0.34843925215901 0.83423175993944 0.41680429690149 18.998 > 3 44 F 0.84843925215901 0.83423175993944 0.41680429690149 18.998 > 3 45 F 0.16576824006056 0.01420749221957 0.41680429690149 18.998 > 4 46 F 0.66576824006056 0.01420749221957 0.41680429690149 18.998 > 4 47 F 0.16576824006056 0.51420749221957 0.41680429690149 18.998 > 4 48 F 0.66576824006056 0.51420749221957 0.41680429690149 18.998 > 4 49 F 0.15156074784099 0.16576824006056 0.58319570309851 18.998 > 5 50 F 0.65156074784099 0.16576824006056 0.58319570309851 18.998 > 5 51 F 0.15156074784099 0.66576824006056 0.58319570309851 18.998 > 5 52 F 0.65156074784099 0.66576824006056 0.58319570309851 18.998 > 5 53 F 0.33423175993944 0.48579250778043 0.58319570309851 18.998 > 6 54 F 0.83423175993944 0.48579250778043 0.58319570309851 18.998 > 6 55 F 0.33423175993944 0.98579250778043 0.58319570309851 18.998 > 6 56 F 0.83423175993944 0.98579250778043 0.58319570309851 18.998 > 6 57 F 0.01420749221957 0.34843925215901 0.58319570309851 18.998 > 7 58 F 0.51420749221957 0.34843925215901 0.58319570309851 18.998 > 7 59 F 0.01420749221957 0.84843925215901 0.58319570309851 18.998 > 7 60 F 0.51420749221957 0.84843925215901 0.58319570309851 18.998 > 7 61 F 0.31912584111377 0.31822741450766 0.75013763023483 18.998 > 2 62 F 0.81912584111377 0.31822741450766 0.75013763023483 18.998 > 2 63 F 0.31912584111377 0.81822741450766 0.75013763023483 18.998 > 2 64 F 0.81912584111377 0.81822741450766 0.75013763023483 18.998 > 2 65 F 0.18177258549234 0.00089842660611 0.75013763023483 18.998 > 3 66 F 0.68177258549234 0.00089842660611 0.75013763023483 18.998 > 3 67 F 0.18177258549234 0.50089842660611 0.75013763023483 18.998 > 3 68 F 0.68177258549234 0.50089842660611 0.75013763023483 18.998 > 3 69 F 0.49910157339389 0.18087415888623 0.75013763023483 18.998 > 4 70 F 0.99910157339389 0.18087415888623 0.75013763023483 18.998 > 4 71 F 0.49910157339389 0.68087415888623 0.75013763023483 18.998 > 4 72 F 0.99910157339389 0.68087415888623 0.75013763023483 18.998 > 4 73 F 0.48489408117433 0.33243490672723 0.91652903643184 18.998 > 5 74 F 0.98489408117433 0.33243490672723 0.91652903643184 18.998 > 5 75 F 0.48489408117433 0.83243490672723 0.91652903643184 18.998 > 5 76 F 0.98489408117433 0.83243490672723 0.91652903643184 18.998 > 5 77 F 0.16756509327277 0.15245917444710 0.91652903643184 18.998 > 6 78 F 0.66756509327277 0.15245917444710 0.91652903643184 18.998 > 6 79 F 0.16756509327277 0.65245917444710 0.91652903643184 18.998 > 6 80 F 0.66756509327277 0.65245917444710 0.91652903643184 18.998 > 6 81 F 0.34754082555290 0.01510591882567 0.91652903643184 18.998 > 7 82 F 0.84754082555290 0.01510591882567 0.91652903643184 18.998 > 7 83 F 0.34754082555290 0.51510591882567 0.91652903643184 18.998 > 7 84 F 0.84754082555290 0.51510591882567 0.91652903643184 18.998 > 7 *85 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 8 86 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 8 87 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 8 88 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 8 89 Bi 0.33333333333333 0.16666666666667 0.33333333333333 208.980 > 8 90 Bi 0.83333333333333 0.16666666666667 0.33333333333333 208.980 > 8 91 Bi 0.33333333333333 0.66666666666667 0.33333333333333 208.980 > 8 92 Bi 0.83333333333333 0.66666666666667 0.33333333333333 208.980 > 8 93 Bi 0.16666666666667 0.33333333333333 0.66666666666667 208.980 > 8 94 Bi 0.66666666666667 0.33333333333333 0.66666666666667 208.980 > 8 95 Bi 0.16666666666667 0.83333333333333 0.66666666666667 208.980 > 8 96 Bi 0.66666666666667 0.83333333333333 0.66666666666667 208.980 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4848926 0.0000005 0.0000000 -0.0000005 2.4848926 0.0000000 0.0000000 0.0000000 2.5109713 -------------------------- Born effective charges -------------------------- 1 Li 1.2461463 -0.2882272 0.0000000 0.2882272 1.2461463 -0.0000000 0.0000000 0.0000000 1.4168191 2 F -1.0213139 0.1444890 -0.3310851 0.1055671 -0.7004767 0.1370412 -0.3185505 0.1382935 -0.8655989 3 F -0.6724086 0.0958735 0.0468614 0.0569516 -1.0493821 -0.3552487 0.0395096 -0.3450196 -0.8655989 4 F -0.8889635 -0.1819797 0.2842237 -0.2209016 -0.8328271 0.2182075 0.2790409 0.2067261 -0.8655989 5 F -0.6724086 0.0958735 0.0468614 0.0569516 -1.0493821 -0.3552487 0.0395096 -0.3450196 -0.8655989 6 F -0.8889635 -0.1819797 0.2842237 -0.2209016 -0.8328271 0.2182075 0.2790409 0.2067261 -0.8655989 7 F -1.0213139 0.1444890 -0.3310851 0.1055671 -0.7004767 0.1370412 -0.3185505 0.1382935 -0.8655989 8 Bi 3.9192257 0.1714615 0.0000000 -0.1714615 3.9192257 -0.0000000 0.0000000 0.0000000 3.7767742 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 296 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: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 160 - Time: 0.483 Solver_block: 160 / 160 - Time: 0.322 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.820 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 4920/4920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 620 Number of blocks in projector: 296 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: 284 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 80 Use standard eigh solver. Tree of FC basis block matrices: - (620, 606), data: False |-- (80, 77), data: True |-- (256, 252), data: True |-- (284, 277), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 06:20:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:20:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.581832465573628 1.490621669001446 4.693212749999995 b -2.581832465573622 1.490621669001446 4.693212749999995 c 0.000000000000002 -2.981243338002897 4.693212749999995 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 F 0.38838931246236 0.74834077702262 0.11368280121951 18.998 3 F 0.11368280121951 0.38838931246236 0.74834077702262 18.998 4 F 0.74834077702261 0.11368280121951 0.38838931246236 18.998 5 F 0.88631719878049 0.61161068753764 0.25165922297739 18.998 6 F 0.25165922297739 0.88631719878049 0.61161068753764 18.998 7 F 0.61161068753764 0.25165922297739 0.88631719878049 18.998 8 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.327329862294501 0.000000000000000 0.000000000000000 b -5.163664931147250 8.943730014008686 0.000000000000000 c 0.000000000000000 0.000000000000000 14.079638250000002 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 13 F 0.15245917444710 0.48489408117433 0.08347096356816 18.998 > 13 14 F 0.65245917444710 0.48489408117433 0.08347096356816 18.998 > 13 15 F 0.15245917444710 0.98489408117433 0.08347096356816 18.998 > 13 16 F 0.65245917444710 0.98489408117433 0.08347096356816 18.998 > 13 17 F 0.01510591882567 0.16756509327277 0.08347096356816 18.998 > 17 18 F 0.51510591882567 0.16756509327277 0.08347096356816 18.998 > 17 19 F 0.01510591882567 0.66756509327277 0.08347096356816 18.998 > 17 20 F 0.51510591882567 0.66756509327277 0.08347096356816 18.998 > 17 21 F 0.33243490672723 0.34754082555290 0.08347096356816 18.998 > 21 22 F 0.83243490672723 0.34754082555290 0.08347096356816 18.998 > 21 23 F 0.33243490672723 0.84754082555290 0.08347096356816 18.998 > 21 24 F 0.83243490672723 0.84754082555290 0.08347096356816 18.998 > 21 25 F 0.31822741450766 0.49910157339389 0.24986236976517 18.998 > 25 26 F 0.81822741450766 0.49910157339389 0.24986236976517 18.998 > 25 27 F 0.31822741450766 0.99910157339389 0.24986236976517 18.998 > 25 28 F 0.81822741450766 0.99910157339389 0.24986236976517 18.998 > 25 29 F 0.00089842660611 0.31912584111377 0.24986236976517 18.998 > 29 30 F 0.50089842660611 0.31912584111377 0.24986236976517 18.998 > 29 31 F 0.00089842660611 0.81912584111377 0.24986236976517 18.998 > 29 32 F 0.50089842660611 0.81912584111377 0.24986236976517 18.998 > 29 33 F 0.18087415888623 0.18177258549234 0.24986236976517 18.998 > 33 34 F 0.68087415888623 0.18177258549234 0.24986236976517 18.998 > 33 35 F 0.18087415888623 0.68177258549234 0.24986236976517 18.998 > 33 36 F 0.68087415888623 0.68177258549234 0.24986236976517 18.998 > 33 37 F 0.48579250778043 0.15156074784099 0.41680429690149 18.998 > 13 38 F 0.98579250778043 0.15156074784099 0.41680429690149 18.998 > 13 39 F 0.48579250778043 0.65156074784099 0.41680429690149 18.998 > 13 40 F 0.98579250778043 0.65156074784099 0.41680429690149 18.998 > 13 41 F 0.34843925215901 0.33423175993944 0.41680429690149 18.998 > 17 42 F 0.84843925215901 0.33423175993944 0.41680429690149 18.998 > 17 43 F 0.34843925215901 0.83423175993944 0.41680429690149 18.998 > 17 44 F 0.84843925215901 0.83423175993944 0.41680429690149 18.998 > 17 45 F 0.16576824006056 0.01420749221957 0.41680429690149 18.998 > 21 46 F 0.66576824006056 0.01420749221957 0.41680429690149 18.998 > 21 47 F 0.16576824006056 0.51420749221957 0.41680429690149 18.998 > 21 48 F 0.66576824006056 0.51420749221957 0.41680429690149 18.998 > 21 49 F 0.15156074784099 0.16576824006056 0.58319570309851 18.998 > 25 50 F 0.65156074784099 0.16576824006056 0.58319570309851 18.998 > 25 51 F 0.15156074784099 0.66576824006056 0.58319570309851 18.998 > 25 52 F 0.65156074784099 0.66576824006056 0.58319570309851 18.998 > 25 53 F 0.33423175993944 0.48579250778043 0.58319570309851 18.998 > 29 54 F 0.83423175993944 0.48579250778043 0.58319570309851 18.998 > 29 55 F 0.33423175993944 0.98579250778043 0.58319570309851 18.998 > 29 56 F 0.83423175993944 0.98579250778043 0.58319570309851 18.998 > 29 57 F 0.01420749221957 0.34843925215901 0.58319570309851 18.998 > 33 58 F 0.51420749221957 0.34843925215901 0.58319570309851 18.998 > 33 59 F 0.01420749221957 0.84843925215901 0.58319570309851 18.998 > 33 60 F 0.51420749221957 0.84843925215901 0.58319570309851 18.998 > 33 61 F 0.31912584111377 0.31822741450766 0.75013763023483 18.998 > 13 62 F 0.81912584111377 0.31822741450766 0.75013763023483 18.998 > 13 63 F 0.31912584111377 0.81822741450766 0.75013763023483 18.998 > 13 64 F 0.81912584111377 0.81822741450766 0.75013763023483 18.998 > 13 65 F 0.18177258549234 0.00089842660611 0.75013763023483 18.998 > 17 66 F 0.68177258549234 0.00089842660611 0.75013763023483 18.998 > 17 67 F 0.18177258549234 0.50089842660611 0.75013763023483 18.998 > 17 68 F 0.68177258549234 0.50089842660611 0.75013763023483 18.998 > 17 69 F 0.49910157339389 0.18087415888623 0.75013763023483 18.998 > 21 70 F 0.99910157339389 0.18087415888623 0.75013763023483 18.998 > 21 71 F 0.49910157339389 0.68087415888623 0.75013763023483 18.998 > 21 72 F 0.99910157339389 0.68087415888623 0.75013763023483 18.998 > 21 73 F 0.48489408117433 0.33243490672723 0.91652903643184 18.998 > 25 74 F 0.98489408117433 0.33243490672723 0.91652903643184 18.998 > 25 75 F 0.48489408117433 0.83243490672723 0.91652903643184 18.998 > 25 76 F 0.98489408117433 0.83243490672723 0.91652903643184 18.998 > 25 77 F 0.16756509327277 0.15245917444710 0.91652903643184 18.998 > 29 78 F 0.66756509327277 0.15245917444710 0.91652903643184 18.998 > 29 79 F 0.16756509327277 0.65245917444710 0.91652903643184 18.998 > 29 80 F 0.66756509327277 0.65245917444710 0.91652903643184 18.998 > 29 81 F 0.34754082555290 0.01510591882567 0.91652903643184 18.998 > 33 82 F 0.84754082555290 0.01510591882567 0.91652903643184 18.998 > 33 83 F 0.34754082555290 0.51510591882567 0.91652903643184 18.998 > 33 84 F 0.84754082555290 0.51510591882567 0.91652903643184 18.998 > 33 85 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 85 86 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 85 87 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 85 88 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 85 89 Bi 0.33333333333333 0.16666666666667 0.33333333333333 208.980 > 85 90 Bi 0.83333333333333 0.16666666666667 0.33333333333333 208.980 > 85 91 Bi 0.33333333333333 0.66666666666667 0.33333333333333 208.980 > 85 92 Bi 0.83333333333333 0.66666666666667 0.33333333333333 208.980 > 85 93 Bi 0.16666666666667 0.33333333333333 0.66666666666667 208.980 > 85 94 Bi 0.66666666666667 0.33333333333333 0.66666666666667 208.980 > 85 95 Bi 0.16666666666667 0.83333333333333 0.66666666666667 208.980 > 85 96 Bi 0.66666666666667 0.83333333333333 0.66666666666667 208.980 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4848926 0.0000005 0.0000000 -0.0000005 2.4848926 0.0000000 0.0000000 0.0000000 2.5109713 -------------------------- Born effective charges -------------------------- 1 Li 1.2461463 -0.2882272 0.0000000 0.2882272 1.2461463 -0.0000000 0.0000000 0.0000000 1.4168191 2 F -1.0213139 0.1444890 -0.3310851 0.1055671 -0.7004767 0.1370412 -0.3185505 0.1382935 -0.8655989 3 F -0.6724086 0.0958735 0.0468614 0.0569516 -1.0493821 -0.3552487 0.0395096 -0.3450196 -0.8655989 4 F -0.8889635 -0.1819797 0.2842237 -0.2209016 -0.8328271 0.2182075 0.2790409 0.2067261 -0.8655989 5 F -0.6724086 0.0958735 0.0468614 0.0569516 -1.0493821 -0.3552487 0.0395096 -0.3450196 -0.8655989 6 F -0.8889635 -0.1819797 0.2842237 -0.2209016 -0.8328271 0.2182075 0.2790409 0.2067261 -0.8655989 7 F -1.0213139 0.1444890 -0.3310851 0.1055671 -0.7004767 0.1370412 -0.3185505 0.1382935 -0.8655989 8 Bi 3.9192257 0.1714615 0.0000000 -0.1714615 3.9192257 -0.0000000 0.0000000 0.0000000 3.7767742 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-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[ 85, 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: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000015 (yx) 0.00000015 (yx) 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 06:20:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:20:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.581832465573628 1.490621669001446 4.693212749999995 b -2.581832465573622 1.490621669001446 4.693212749999995 c 0.000000000000002 -2.981243338002897 4.693212749999995 Atomic positions (fractional): 1 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 2 F 0.38838931246236 0.74834077702262 0.11368280121951 18.998 3 F 0.11368280121951 0.38838931246236 0.74834077702262 18.998 4 F 0.74834077702261 0.11368280121951 0.38838931246236 18.998 5 F 0.88631719878049 0.61161068753764 0.25165922297739 18.998 6 F 0.25165922297739 0.88631719878049 0.61161068753764 18.998 7 F 0.61161068753764 0.25165922297739 0.88631719878049 18.998 8 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.327329862294501 0.000000000000000 0.000000000000000 b -5.163664931147250 8.943730014008686 0.000000000000000 c 0.000000000000000 0.000000000000000 14.079638250000002 Atomic positions (fractional): 1 Li 0.16666666666667 0.33333333333333 0.16666666666667 6.941 > 1 2 Li 0.66666666666667 0.33333333333333 0.16666666666667 6.941 > 1 3 Li 0.16666666666667 0.83333333333333 0.16666666666667 6.941 > 1 4 Li 0.66666666666667 0.83333333333333 0.16666666666667 6.941 > 1 5 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 6 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 7 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 8 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 9 Li 0.33333333333333 0.16666666666667 0.83333333333333 6.941 > 1 10 Li 0.83333333333333 0.16666666666667 0.83333333333333 6.941 > 1 11 Li 0.33333333333333 0.66666666666667 0.83333333333333 6.941 > 1 12 Li 0.83333333333333 0.66666666666667 0.83333333333333 6.941 > 1 13 F 0.15245917444710 0.48489408117433 0.08347096356816 18.998 > 13 14 F 0.65245917444710 0.48489408117433 0.08347096356816 18.998 > 13 15 F 0.15245917444710 0.98489408117433 0.08347096356816 18.998 > 13 16 F 0.65245917444710 0.98489408117433 0.08347096356816 18.998 > 13 17 F 0.01510591882567 0.16756509327277 0.08347096356816 18.998 > 17 18 F 0.51510591882567 0.16756509327277 0.08347096356816 18.998 > 17 19 F 0.01510591882567 0.66756509327277 0.08347096356816 18.998 > 17 20 F 0.51510591882567 0.66756509327277 0.08347096356816 18.998 > 17 21 F 0.33243490672723 0.34754082555290 0.08347096356816 18.998 > 21 22 F 0.83243490672723 0.34754082555290 0.08347096356816 18.998 > 21 23 F 0.33243490672723 0.84754082555290 0.08347096356816 18.998 > 21 24 F 0.83243490672723 0.84754082555290 0.08347096356816 18.998 > 21 25 F 0.31822741450766 0.49910157339389 0.24986236976517 18.998 > 25 26 F 0.81822741450766 0.49910157339389 0.24986236976517 18.998 > 25 27 F 0.31822741450766 0.99910157339389 0.24986236976517 18.998 > 25 28 F 0.81822741450766 0.99910157339389 0.24986236976517 18.998 > 25 29 F 0.00089842660611 0.31912584111377 0.24986236976517 18.998 > 29 30 F 0.50089842660611 0.31912584111377 0.24986236976517 18.998 > 29 31 F 0.00089842660611 0.81912584111377 0.24986236976517 18.998 > 29 32 F 0.50089842660611 0.81912584111377 0.24986236976517 18.998 > 29 33 F 0.18087415888623 0.18177258549234 0.24986236976517 18.998 > 33 34 F 0.68087415888623 0.18177258549234 0.24986236976517 18.998 > 33 35 F 0.18087415888623 0.68177258549234 0.24986236976517 18.998 > 33 36 F 0.68087415888623 0.68177258549234 0.24986236976517 18.998 > 33 37 F 0.48579250778043 0.15156074784099 0.41680429690149 18.998 > 13 38 F 0.98579250778043 0.15156074784099 0.41680429690149 18.998 > 13 39 F 0.48579250778043 0.65156074784099 0.41680429690149 18.998 > 13 40 F 0.98579250778043 0.65156074784099 0.41680429690149 18.998 > 13 41 F 0.34843925215901 0.33423175993944 0.41680429690149 18.998 > 17 42 F 0.84843925215901 0.33423175993944 0.41680429690149 18.998 > 17 43 F 0.34843925215901 0.83423175993944 0.41680429690149 18.998 > 17 44 F 0.84843925215901 0.83423175993944 0.41680429690149 18.998 > 17 45 F 0.16576824006056 0.01420749221957 0.41680429690149 18.998 > 21 46 F 0.66576824006056 0.01420749221957 0.41680429690149 18.998 > 21 47 F 0.16576824006056 0.51420749221957 0.41680429690149 18.998 > 21 48 F 0.66576824006056 0.51420749221957 0.41680429690149 18.998 > 21 49 F 0.15156074784099 0.16576824006056 0.58319570309851 18.998 > 25 50 F 0.65156074784099 0.16576824006056 0.58319570309851 18.998 > 25 51 F 0.15156074784099 0.66576824006056 0.58319570309851 18.998 > 25 52 F 0.65156074784099 0.66576824006056 0.58319570309851 18.998 > 25 53 F 0.33423175993944 0.48579250778043 0.58319570309851 18.998 > 29 54 F 0.83423175993944 0.48579250778043 0.58319570309851 18.998 > 29 55 F 0.33423175993944 0.98579250778043 0.58319570309851 18.998 > 29 56 F 0.83423175993944 0.98579250778043 0.58319570309851 18.998 > 29 57 F 0.01420749221957 0.34843925215901 0.58319570309851 18.998 > 33 58 F 0.51420749221957 0.34843925215901 0.58319570309851 18.998 > 33 59 F 0.01420749221957 0.84843925215901 0.58319570309851 18.998 > 33 60 F 0.51420749221957 0.84843925215901 0.58319570309851 18.998 > 33 61 F 0.31912584111377 0.31822741450766 0.75013763023483 18.998 > 13 62 F 0.81912584111377 0.31822741450766 0.75013763023483 18.998 > 13 63 F 0.31912584111377 0.81822741450766 0.75013763023483 18.998 > 13 64 F 0.81912584111377 0.81822741450766 0.75013763023483 18.998 > 13 65 F 0.18177258549234 0.00089842660611 0.75013763023483 18.998 > 17 66 F 0.68177258549234 0.00089842660611 0.75013763023483 18.998 > 17 67 F 0.18177258549234 0.50089842660611 0.75013763023483 18.998 > 17 68 F 0.68177258549234 0.50089842660611 0.75013763023483 18.998 > 17 69 F 0.49910157339389 0.18087415888623 0.75013763023483 18.998 > 21 70 F 0.99910157339389 0.18087415888623 0.75013763023483 18.998 > 21 71 F 0.49910157339389 0.68087415888623 0.75013763023483 18.998 > 21 72 F 0.99910157339389 0.68087415888623 0.75013763023483 18.998 > 21 73 F 0.48489408117433 0.33243490672723 0.91652903643184 18.998 > 25 74 F 0.98489408117433 0.33243490672723 0.91652903643184 18.998 > 25 75 F 0.48489408117433 0.83243490672723 0.91652903643184 18.998 > 25 76 F 0.98489408117433 0.83243490672723 0.91652903643184 18.998 > 25 77 F 0.16756509327277 0.15245917444710 0.91652903643184 18.998 > 29 78 F 0.66756509327277 0.15245917444710 0.91652903643184 18.998 > 29 79 F 0.16756509327277 0.65245917444710 0.91652903643184 18.998 > 29 80 F 0.66756509327277 0.65245917444710 0.91652903643184 18.998 > 29 81 F 0.34754082555290 0.01510591882567 0.91652903643184 18.998 > 33 82 F 0.84754082555290 0.01510591882567 0.91652903643184 18.998 > 33 83 F 0.34754082555290 0.51510591882567 0.91652903643184 18.998 > 33 84 F 0.84754082555290 0.51510591882567 0.91652903643184 18.998 > 33 85 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 85 86 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 85 87 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 85 88 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 85 89 Bi 0.33333333333333 0.16666666666667 0.33333333333333 208.980 > 85 90 Bi 0.83333333333333 0.16666666666667 0.33333333333333 208.980 > 85 91 Bi 0.33333333333333 0.66666666666667 0.33333333333333 208.980 > 85 92 Bi 0.83333333333333 0.66666666666667 0.33333333333333 208.980 > 85 93 Bi 0.16666666666667 0.33333333333333 0.66666666666667 208.980 > 85 94 Bi 0.66666666666667 0.33333333333333 0.66666666666667 208.980 > 85 95 Bi 0.16666666666667 0.83333333333333 0.66666666666667 208.980 > 85 96 Bi 0.66666666666667 0.83333333333333 0.66666666666667 208.980 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4848926 0.0000005 0.0000000 -0.0000005 2.4848926 0.0000000 0.0000000 0.0000000 2.5109713 -------------------------- Born effective charges -------------------------- 1 Li 1.2461463 -0.2882272 0.0000000 0.2882272 1.2461463 -0.0000000 0.0000000 0.0000000 1.4168191 2 F -1.0213139 0.1444890 -0.3310851 0.1055671 -0.7004767 0.1370412 -0.3185505 0.1382935 -0.8655989 3 F -0.6724086 0.0958735 0.0468614 0.0569516 -1.0493821 -0.3552487 0.0395096 -0.3450196 -0.8655989 4 F -0.8889635 -0.1819797 0.2842237 -0.2209016 -0.8328271 0.2182075 0.2790409 0.2067261 -0.8655989 5 F -0.6724086 0.0958735 0.0468614 0.0569516 -1.0493821 -0.3552487 0.0395096 -0.3450196 -0.8655989 6 F -0.8889635 -0.1819797 0.2842237 -0.2209016 -0.8328271 0.2182075 0.2790409 0.2067261 -0.8655989 7 F -1.0213139 0.1444890 -0.3310851 0.1055671 -0.7004767 0.1370412 -0.3185505 0.1382935 -0.8655989 8 Bi 3.9192257 0.1714615 0.0000000 -0.1714615 3.9192257 -0.0000000 0.0000000 0.0000000 3.7767742 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 12 12 12 ] 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: 0.87, Number of G-points: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 294 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 3.091 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.321 ( 0.000 0.000 0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.421 ( 0.000 0.000 0.000) 0.000 15.060 ( 0.000 0.000 0.000) 0.000 15.060 ( 0.000 0.000 0.000) 0.000 16.098 ( 0.000 0.000 0.000) 0.000 16.098 ( 0.000 0.000 0.000) 0.000 16.138 ( 0.000 0.000 0.000) 0.000 16.457 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 13.928 13.785 2.932) 19.814 0.395 ( 18.684 0.963 14.208) 23.492 0.451 ( 16.643 13.095 8.945) 22.989 3.057 ( -1.964 -1.718 -1.848) 3.198 3.071 ( -2.153 -0.344 -0.086) 2.182 3.830 ( 1.745 3.062 -1.218) 3.729 3.976 ( 5.505 0.900 -0.127) 5.580 4.445 ( -4.480 -2.638 -1.519) 5.416 5.181 ( -2.273 -1.644 15.971) 16.216 5.300 ( -2.458 -1.095 1.222) 2.955 5.710 ( 3.245 3.458 0.601) 4.780 6.370 ( -1.138 -3.511 -2.311) 4.355 6.812 ( -3.128 1.091 1.371) 3.585 6.837 ( 2.003 -0.203 -0.614) 2.104 6.949 ( 0.563 0.066 -0.885) 1.051 9.356 ( -0.951 2.553 -3.881) 4.742 9.389 ( -2.607 -1.886 1.545) 3.570 11.241 ( -1.650 -3.511 2.140) 4.430 15.079 ( 1.716 1.521 -0.832) 2.439 15.090 ( 2.441 0.582 2.587) 3.604 16.096 ( 0.244 -0.342 -0.822) 0.923 16.123 ( -0.801 -0.701 -0.427) 1.147 16.465 ( 0.645 0.385 0.283) 0.803 17.452 ( -2.437 -0.240 2.050) 3.194 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 12.964 14.279 4.786) 19.871 0.784 ( 16.952 4.569 10.512) 20.464 0.884 ( 18.225 7.880 9.656) 22.079 2.996 ( -1.990 -1.506 -1.737) 3.041 3.023 ( -2.778 -0.504 -0.342) 2.844 3.868 ( 1.807 0.349 -3.135) 3.636 4.063 ( -1.298 1.062 4.991) 5.266 4.348 ( -0.489 -1.786 -0.735) 1.992 5.219 ( -2.947 -0.753 4.871) 5.742 5.270 ( 1.488 0.030 3.609) 3.904 5.829 ( 5.226 5.322 1.641) 7.637 6.292 ( -1.099 -5.486 -2.510) 6.132 6.740 ( -6.607 -0.220 -0.126) 6.611 6.870 ( 1.745 1.428 -0.827) 2.402 6.971 ( 2.204 -0.492 0.842) 2.410 9.311 ( -6.778 1.935 0.304) 7.055 9.339 ( -0.526 -1.230 -2.586) 2.912 11.176 ( -1.568 -5.497 -0.620) 5.750 15.130 ( 3.019 2.621 -1.637) 4.320 15.176 ( 4.289 1.137 4.665) 6.438 16.089 ( -0.403 -0.140 -0.977) 1.067 16.092 ( -1.103 -2.034 0.172) 2.321 16.486 ( 1.043 0.688 0.310) 1.288 17.410 ( -3.261 0.120 -0.076) 3.264 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 8.748 13.501 10.251) 19.075 1.140 ( 15.573 8.140 1.097) 17.606 1.306 ( 20.539 2.423 11.313) 23.573 2.945 ( -3.023 0.067 -0.506) 3.066 2.981 ( -0.486 -1.019 -1.252) 1.686 3.804 ( -5.692 -7.261 -2.551) 9.573 4.004 ( -5.151 3.333 -0.757) 6.182 4.433 ( 6.195 1.155 5.796) 8.562 5.157 ( -4.667 -0.274 1.943) 5.063 5.373 ( 6.379 1.492 2.741) 7.102 5.978 ( 5.226 3.826 3.168) 7.210 6.217 ( 0.643 -4.272 -4.241) 6.053 6.609 ( -8.106 -0.608 -1.055) 8.197 6.901 ( -0.493 3.303 -0.238) 3.349 7.012 ( 3.457 -2.412 2.094) 4.707 9.206 ( -7.891 -0.961 3.671) 8.756 9.296 ( -1.724 1.398 -6.535) 6.901 11.088 ( -1.446 -6.391 -1.427) 6.706 15.200 ( 3.588 3.011 -2.264) 5.203 15.298 ( 5.146 1.602 5.873) 7.971 16.049 ( -2.582 -1.524 1.876) 3.537 16.073 ( 0.455 -1.326 -2.734) 3.072 16.512 ( 1.065 0.822 0.013) 1.346 17.352 ( -3.660 0.170 -0.684) 3.728 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 4.543 9.071 9.264) 13.739 1.456 ( 13.268 9.232 -1.685) 16.251 1.722 ( 20.392 0.944 11.269) 23.318 2.886 ( -4.095 0.412 -0.829) 4.199 2.975 ( 1.269 -0.525 -1.584) 2.096 3.560 ( -11.516 -8.019 -2.226) 14.209 3.978 ( -1.503 2.499 -1.790) 3.422 4.567 ( 3.868 0.565 6.871) 7.905 5.106 ( -3.156 1.277 1.207) 3.612 5.524 ( 8.507 1.819 1.778) 8.879 6.046 ( 0.691 -4.047 1.939) 4.541 6.213 ( 3.040 1.606 -6.157) 7.052 6.484 ( -5.693 1.102 0.534) 5.823 6.906 ( -3.207 3.286 1.299) 4.772 7.064 ( 4.318 -2.671 1.982) 5.451 9.093 ( -7.021 -1.725 3.994) 8.260 9.233 ( -2.507 1.635 -7.183) 7.782 11.002 ( -1.072 -5.641 -1.283) 5.884 15.269 ( 3.229 2.596 -2.384) 4.780 15.432 ( 4.805 1.815 5.904) 7.825 16.006 ( -2.348 -1.423 2.103) 3.458 16.046 ( 0.056 -1.471 -3.215) 3.536 16.533 ( 0.776 0.731 -0.365) 1.127 17.293 ( -3.216 0.096 -0.607) 3.274 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 2.252 4.574 4.360) 6.708 1.695 ( 7.605 5.870 -0.365) 9.614 2.098 ( 16.537 1.226 8.952) 18.844 2.804 ( -5.184 -0.058 -2.798) 5.892 2.978 ( 0.229 -0.195 -1.545) 1.574 3.313 ( -8.550 -5.271 -0.935) 10.088 3.969 ( -0.711 1.087 -1.007) 1.644 4.638 ( 0.949 -0.353 4.225) 4.345 5.095 ( -0.975 1.760 0.722) 2.137 5.693 ( 8.310 1.614 2.814) 8.921 6.000 ( -0.945 -3.748 -1.842) 4.281 6.173 ( -3.723 -0.680 -4.592) 5.951 6.494 ( 1.930 3.020 1.236) 3.791 6.880 ( -3.583 1.663 1.873) 4.372 7.118 ( 3.132 -1.269 1.297) 3.620 9.005 ( -4.145 -1.397 2.621) 5.100 9.170 ( -2.003 1.040 -4.939) 5.430 10.940 ( -0.549 -3.297 -0.696) 3.414 15.319 ( 1.931 1.492 -1.611) 2.924 15.544 ( 3.097 1.411 4.164) 5.377 15.975 ( -1.367 -0.902 1.416) 2.165 16.013 ( -0.313 -1.119 -2.566) 2.816 16.545 ( 0.376 0.427 -0.408) 0.700 17.248 ( -1.893 0.023 -0.289) 1.915 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 -0.000) 0.000 2.302 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 6.112 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 7.144 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.142 ( 0.000 0.000 0.000) 0.000 10.918 ( 0.000 0.000 0.000) 0.000 15.337 ( 0.000 0.000 0.000) 0.000 15.591 ( 0.000 0.000 0.000) 0.000 15.964 ( 0.000 0.000 -0.000) 0.000 15.996 ( 0.000 0.000 0.000) 0.000 16.549 ( 0.000 0.000 0.000) 0.000 17.232 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( -1.353 10.603 5.861) 12.191 0.349 ( 0.307 9.543 13.892) 16.857 0.697 ( -0.112 23.176 20.682) 31.062 3.050 ( -0.371 -2.514 -1.905) 3.176 3.082 ( 0.771 -0.756 -0.156) 1.092 3.859 ( 5.848 4.237 1.260) 7.330 3.924 ( -6.054 4.944 -1.546) 7.968 4.439 ( -0.040 -4.457 -2.111) 4.932 5.280 ( -1.260 -8.108 15.555) 17.587 5.306 ( 0.656 -6.170 4.632) 7.743 5.716 ( 3.020 4.222 1.244) 5.338 6.363 ( -4.494 -1.594 -2.538) 5.402 6.780 ( -1.477 -3.263 -1.739) 3.982 6.826 ( 4.046 1.272 -1.550) 4.515 6.929 ( -0.446 -0.786 -2.394) 2.559 9.399 ( 3.910 3.192 0.759) 5.104 9.435 ( -0.310 2.046 1.786) 2.733 11.206 ( -3.493 -8.602 -0.121) 9.285 15.062 ( 0.047 0.421 -0.340) 0.543 15.115 ( -0.482 3.859 3.038) 4.935 16.103 ( -0.895 0.566 0.022) 1.059 16.129 ( -0.064 0.726 -0.552) 0.915 16.466 ( 0.026 0.607 0.443) 0.752 17.448 ( 1.566 -5.023 1.304) 5.421 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 17.286 6.103 7.216) 19.701 0.630 ( 12.202 10.237 7.795) 17.733 1.035 ( 1.863 19.945 18.790) 27.465 2.994 ( -1.680 -2.589 -1.339) 3.364 3.064 ( -2.026 -0.001 -0.499) 2.087 3.874 ( -2.936 1.365 -2.216) 3.923 4.052 ( 8.249 4.084 6.207) 11.102 4.350 ( -3.621 -3.490 -2.380) 5.564 5.261 ( -1.588 -6.256 6.033) 8.835 5.277 ( -0.288 -1.634 4.237) 4.550 5.840 ( 3.802 5.778 4.050) 8.015 6.244 ( -2.862 -3.987 -5.541) 7.402 6.731 ( 1.161 -6.191 -1.491) 6.473 6.877 ( -1.533 0.503 0.020) 1.614 6.921 ( 4.267 1.086 -3.539) 5.648 9.418 ( -4.686 -1.733 8.270) 9.662 9.447 ( -4.697 9.071 -2.507) 10.518 11.071 ( 0.440 -10.736 -5.089) 11.890 15.085 ( 2.535 0.520 -0.458) 2.629 15.187 ( 1.497 5.069 4.103) 6.691 16.081 ( -1.709 0.196 -0.654) 1.840 16.124 ( -1.192 0.204 0.743) 1.419 16.481 ( 0.652 0.670 0.378) 1.008 17.424 ( 0.157 -3.762 -0.591) 3.811 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 19.968 7.805 3.149) 21.669 0.983 ( 15.115 7.039 8.206) 18.584 1.336 ( 2.201 15.207 15.977) 22.167 2.947 ( -0.525 -1.700 -0.851) 1.972 3.019 ( -3.299 0.382 -0.431) 3.349 3.796 ( -3.950 -5.021 -2.426) 6.834 4.153 ( -6.368 3.681 2.987) 7.939 4.352 ( 8.099 0.929 3.615) 8.918 5.195 ( -1.997 -5.898 2.327) 6.647 5.320 ( 3.299 0.664 2.354) 4.106 5.980 ( 3.399 5.002 4.481) 7.527 6.143 ( -0.288 -3.051 -7.270) 7.889 6.659 ( -2.007 -5.401 -2.888) 6.445 6.866 ( 2.751 -3.114 0.355) 4.170 6.980 ( 1.735 2.431 -0.828) 3.099 9.345 ( -7.903 -4.330 11.618) 14.703 9.418 ( -7.589 11.849 -6.140) 15.352 10.959 ( 2.919 -11.538 -6.546) 13.583 15.142 ( 4.086 0.846 -1.011) 4.293 15.298 ( 2.696 5.310 5.020) 7.789 16.048 ( -1.548 -0.618 -0.481) 1.735 16.105 ( -2.099 0.436 1.055) 2.390 16.502 ( 1.004 0.566 -0.027) 1.153 17.377 ( -1.228 -3.035 -1.545) 3.620 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 13.231 10.433 -1.109) 16.885 1.362 ( 17.051 4.767 8.674) 19.716 1.586 ( 5.400 8.161 13.766) 16.890 2.938 ( 0.957 -0.493 -0.479) 1.179 2.960 ( -4.037 0.451 -0.847) 4.150 3.614 ( -7.939 -9.146 -2.417) 12.350 4.091 ( -6.765 5.731 1.236) 8.952 4.526 ( 6.710 0.545 6.176) 9.136 5.125 ( -1.016 -5.927 1.773) 6.269 5.421 ( 6.854 1.969 0.122) 7.133 6.022 ( -0.176 -2.151 -3.091) 3.771 6.148 ( 3.307 3.552 -2.745) 5.576 6.551 ( -3.574 -2.948 -2.501) 5.265 6.912 ( 6.079 -3.984 1.270) 7.378 7.006 ( -0.721 1.101 1.194) 1.777 9.230 ( -8.912 -4.971 11.022) 15.021 9.355 ( -8.639 11.636 -7.136) 16.154 10.876 ( 4.155 -10.399 -5.876) 12.646 15.214 ( 4.372 1.153 -1.405) 4.735 15.423 ( 3.120 4.497 4.778) 7.265 16.017 ( -1.436 -0.621 0.427) 1.622 16.077 ( -2.709 0.710 0.905) 2.943 16.521 ( 1.041 0.316 -0.519) 1.206 17.314 ( -1.656 -2.850 -1.922) 3.816 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 5.041 5.698 1.076) 7.684 1.642 ( 6.870 7.762 2.057) 10.567 1.887 ( 16.704 1.438 11.489) 20.324 2.882 ( -5.389 0.986 -2.021) 5.839 2.958 ( 1.551 0.267 -0.362) 1.615 3.375 ( -8.646 -8.701 -1.497) 12.358 4.055 ( -5.454 5.298 1.786) 7.811 4.624 ( 2.500 -1.292 2.947) 4.075 5.080 ( 0.968 -6.075 1.776) 6.403 5.576 ( 9.316 2.369 0.525) 9.627 5.978 ( -0.172 -0.096 -5.858) 5.861 6.178 ( -0.641 0.688 -3.053) 3.195 6.489 ( -0.159 -0.679 -1.887) 2.011 6.968 ( -1.732 2.353 -0.695) 3.003 7.014 ( 5.203 -6.420 5.332) 9.835 9.106 ( -7.763 -3.827 7.597) 11.516 9.282 ( -8.157 9.926 -4.484) 13.608 10.834 ( 5.004 -7.727 -4.694) 10.334 15.283 ( 3.498 1.154 -0.975) 3.811 15.525 ( 2.498 2.372 2.239) 4.109 16.003 ( -1.238 0.836 2.410) 2.835 16.042 ( -2.981 0.791 0.433) 3.114 16.534 ( 0.882 -0.021 -0.628) 1.083 17.253 ( -1.029 -2.866 -2.015) 3.651 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -1.849 1.020 -0.438) 2.157 1.776 ( 2.558 2.438 0.026) 3.534 2.207 ( 12.684 0.325 5.973) 14.023 2.781 ( -6.106 1.832 -2.974) 7.035 2.976 ( -0.096 0.704 0.669) 0.976 3.205 ( -2.412 -5.398 0.021) 5.913 4.032 ( -4.484 4.228 2.573) 6.679 4.634 ( 0.804 -1.671 -1.813) 2.593 5.052 ( 1.769 -7.288 1.183) 7.592 5.749 ( 7.615 1.622 0.587) 7.808 5.950 ( 0.091 2.295 -4.749) 5.276 6.138 ( -2.429 1.317 -0.960) 2.926 6.487 ( 2.405 -1.663 -3.986) 4.943 6.912 ( -4.894 0.367 -0.250) 4.914 7.083 ( 5.206 -5.930 4.530) 9.099 9.009 ( -4.566 -2.010 3.057) 5.851 9.239 ( -6.152 8.498 1.127) 10.551 10.838 ( 5.636 -4.442 -3.865) 8.151 15.332 ( 1.563 0.627 0.618) 1.794 15.563 ( 0.999 -0.280 -2.469) 2.678 16.001 ( -2.864 0.041 1.564) 3.263 16.027 ( -0.825 3.786 3.116) 4.973 16.542 ( 0.604 -0.376 -0.168) 0.731 17.209 ( 0.498 -2.811 -1.902) 3.430 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -4.813 -4.010 -4.336) 7.619 1.760 ( -4.598 -2.715 0.631) 5.377 2.250 ( -7.873 -1.466 -5.210) 9.554 2.763 ( 2.286 2.168 1.911) 3.684 2.993 ( 0.225 0.883 2.417) 2.583 3.212 ( 6.656 -0.244 0.569) 6.685 4.020 ( -3.542 3.282 3.453) 5.936 4.613 ( 0.439 -0.489 -5.388) 5.428 5.012 ( 2.422 -8.598 0.142) 8.934 5.767 ( -4.074 -0.247 -4.303) 5.930 6.027 ( 4.490 5.491 1.364) 7.223 6.144 ( 1.463 2.174 1.504) 3.022 6.461 ( 0.134 -3.751 -4.743) 6.049 6.840 ( -2.016 -1.247 -1.855) 3.010 7.112 ( 2.005 -5.255 3.345) 6.544 8.965 ( -0.113 -1.072 -0.047) 1.079 9.259 ( -3.949 8.230 6.362) 11.127 10.884 ( 6.117 -1.576 -3.592) 7.267 15.346 ( -1.175 -0.745 2.795) 3.122 15.529 ( -0.782 -1.084 -6.379) 6.518 15.971 ( -1.203 0.005 -0.107) 1.207 16.077 ( -1.314 4.745 4.807) 6.881 16.544 ( 0.159 -0.699 0.396) 0.819 17.198 ( 2.431 -2.517 -1.354) 3.752 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -7.164 -8.311 -8.170) 13.680 1.598 ( -10.984 -5.866 2.364) 12.675 1.970 ( -17.750 -0.453 -9.458) 20.117 2.835 ( 2.981 0.700 1.304) 3.328 3.006 ( -0.874 -0.025 1.999) 2.182 3.415 ( 13.847 3.752 1.937) 14.477 4.018 ( -3.100 2.413 4.423) 5.916 4.565 ( -1.754 -0.314 -7.176) 7.394 4.991 ( 4.899 -7.307 -0.466) 8.810 5.632 ( -8.108 -1.049 -3.559) 8.916 6.108 ( -1.977 6.595 -2.707) 7.398 6.248 ( 4.605 0.506 6.395) 7.897 6.382 ( 0.341 -3.385 -4.373) 5.541 6.815 ( 2.448 -2.306 -2.822) 4.391 7.096 ( -0.400 -3.966 2.164) 4.536 8.986 ( 4.234 -1.178 -0.755) 4.459 9.328 ( -3.147 8.405 8.808) 12.576 10.958 ( 6.461 0.081 -3.846) 7.519 15.312 ( -3.388 -2.627 3.511) 5.541 15.451 ( -3.038 -0.184 -7.169) 7.788 15.968 ( 1.222 0.191 -1.094) 1.651 16.120 ( -1.967 4.248 4.138) 6.248 16.538 ( -0.409 -0.881 0.497) 1.091 17.225 ( 3.975 -1.994 -0.257) 4.454 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -9.414 -10.521 -10.411) 17.541 1.339 ( -15.583 -6.994 3.599) 17.455 1.596 ( -21.229 0.733 -9.829) 23.405 2.893 ( 3.110 0.618 0.309) 3.186 3.001 ( -0.558 -0.205 1.822) 1.916 3.696 ( 14.192 4.004 0.721) 14.764 4.011 ( -3.546 1.223 5.169) 6.386 4.465 ( -4.129 -1.271 -6.468) 7.778 5.035 ( 7.043 -3.659 -0.795) 7.976 5.462 ( -8.420 -1.424 -3.504) 9.231 6.040 ( -6.829 -1.795 -1.219) 7.166 6.293 ( -1.568 5.101 0.327) 5.347 6.463 ( 9.611 0.067 -0.342) 9.617 6.828 ( 3.452 -3.155 -1.320) 4.860 7.057 ( -1.787 -2.640 1.116) 3.378 9.065 ( 7.115 -1.596 0.055) 7.292 9.405 ( -3.708 8.211 8.742) 12.554 11.042 ( 6.566 0.252 -4.561) 7.998 15.238 ( -3.960 -3.361 2.120) 5.610 15.349 ( -5.109 0.493 -5.284) 7.366 15.998 ( 2.816 0.521 -1.413) 3.194 16.140 ( -2.161 2.912 2.674) 4.506 16.521 ( -0.922 -0.791 0.219) 1.234 17.281 ( 4.524 -1.350 0.948) 4.815 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -11.588 -8.995 -9.853) 17.671 1.019 ( -18.822 -6.139 3.611) 20.124 1.195 ( -22.877 1.321 -7.567) 24.132 2.954 ( 3.561 0.980 -0.367) 3.711 3.014 ( 0.926 -0.171 2.293) 2.478 3.910 ( 6.685 2.070 -1.892) 7.249 3.990 ( -2.024 -0.296 4.283) 4.747 4.363 ( -2.370 -0.561 -3.161) 3.991 5.125 ( 6.391 -0.883 -0.470) 6.469 5.307 ( -6.281 -0.902 -3.378) 7.189 5.895 ( -7.305 -3.060 1.456) 8.053 6.323 ( 0.563 4.202 -3.342) 5.399 6.615 ( 7.875 1.816 -0.224) 8.084 6.846 ( 2.459 -3.207 1.123) 4.194 7.005 ( -2.400 -1.782 0.262) 3.001 9.176 ( 7.811 -1.682 1.372) 8.107 9.456 ( -4.461 6.641 6.767) 10.479 11.115 ( 6.189 -0.479 -5.321) 8.176 15.158 ( -3.469 -2.265 0.626) 4.190 15.239 ( -5.748 0.379 -2.858) 6.430 16.044 ( 2.998 0.629 -1.192) 3.287 16.139 ( -1.690 1.201 1.072) 2.334 16.498 ( -1.202 -0.448 -0.002) 1.283 17.350 ( 3.997 -0.623 1.701) 4.388 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -13.438 1.480 -1.745) 13.631 0.674 ( -20.641 -2.973 3.357) 21.123 0.800 ( -23.782 1.680 -2.939) 24.022 3.017 ( 3.560 0.682 -1.306) 3.853 3.049 ( 1.965 -0.706 2.007) 2.896 3.902 ( -4.450 -0.292 1.796) 4.808 3.994 ( -0.942 0.360 -1.756) 2.026 4.377 ( 4.805 -0.077 -0.527) 4.835 5.163 ( -2.206 -0.050 0.126) 2.210 5.255 ( 2.582 0.235 -0.060) 2.593 5.781 ( -6.140 -0.515 2.530) 6.661 6.343 ( 2.527 0.106 -4.744) 5.376 6.742 ( 4.747 3.749 -0.022) 6.049 6.854 ( 0.322 -3.006 2.489) 3.916 6.959 ( -1.375 -0.699 -0.197) 1.555 9.291 ( 6.288 -0.929 2.320) 6.766 9.454 ( -4.135 1.305 2.008) 4.778 11.171 ( 4.993 -0.196 -4.247) 6.558 15.100 ( -2.503 0.170 0.242) 2.520 15.143 ( -4.760 -0.088 -0.755) 4.820 16.086 ( 1.920 0.632 -0.906) 2.215 16.124 ( -0.496 -0.695 -0.258) 0.892 16.477 ( -1.115 -0.006 0.054) 1.116 17.413 ( 2.678 0.004 1.900) 3.284 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -14.637 12.193 -1.421) 19.103 0.629 ( -13.286 3.346 16.540) 21.477 1.062 ( -3.706 22.338 19.054) 29.593 3.006 ( 1.405 -1.466 -2.373) 3.123 3.035 ( 2.737 -1.902 0.383) 3.355 3.865 ( -0.132 4.547 -0.696) 4.602 4.048 ( -3.213 -1.225 2.889) 4.491 4.368 ( 1.516 -1.342 -1.267) 2.388 5.238 ( 2.369 -7.242 3.407) 8.347 5.316 ( -0.030 -0.579 9.288) 9.306 5.751 ( -3.436 3.557 -0.834) 5.015 6.386 ( 1.129 0.866 0.210) 1.438 6.734 ( 4.139 -4.203 -1.686) 6.135 6.791 ( -4.446 -3.065 -4.172) 6.824 6.934 ( -2.789 -0.400 -2.455) 3.737 9.312 ( 7.877 2.669 -1.659) 8.481 9.442 ( 3.414 0.730 4.944) 6.052 11.182 ( -2.204 -6.339 -2.382) 7.122 15.082 ( -2.161 0.633 -0.643) 2.342 15.205 ( -2.077 5.476 4.704) 7.512 16.111 ( 1.145 1.281 0.419) 1.768 16.124 ( 1.213 0.243 0.435) 1.312 16.479 ( -0.569 0.526 0.239) 0.811 17.375 ( 0.675 -5.517 -1.733) 5.822 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -0.898 11.113 6.784) 13.051 0.678 ( 0.568 9.187 12.056) 15.168 1.331 ( -1.567 19.736 17.807) 26.628 2.981 ( -0.610 -2.266 -1.305) 2.685 3.066 ( 1.436 -0.336 -0.455) 1.544 3.910 ( -1.051 0.031 -1.332) 1.697 4.030 ( 2.312 3.164 4.831) 6.220 4.356 ( -1.048 -0.794 -0.455) 1.392 5.209 ( 1.252 -8.574 2.421) 8.997 5.325 ( -2.921 -1.462 7.128) 7.841 5.812 ( 5.571 3.663 0.810) 6.716 6.282 ( -8.174 -3.226 -3.486) 9.454 6.671 ( -2.108 -5.640 -1.889) 6.310 6.802 ( 6.606 -0.635 -6.197) 9.080 6.893 ( 0.023 0.510 -0.590) 0.780 9.479 ( 3.330 4.534 -0.500) 5.648 9.517 ( 2.967 1.486 6.353) 7.167 10.991 ( -6.674 -10.426 -4.871) 13.302 15.067 ( 0.061 0.725 -0.631) 0.963 15.269 ( -0.879 7.018 5.566) 9.000 16.120 ( -1.780 1.000 0.456) 2.092 16.141 ( 0.018 0.534 0.554) 0.770 16.480 ( 0.168 0.325 0.034) 0.367 17.337 ( 2.745 -6.029 -2.296) 7.011 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 12.434 8.180 9.248) 17.523 0.914 ( 9.068 10.615 6.505) 15.403 1.570 ( -1.418 15.278 14.822) 21.333 2.941 ( -1.088 -1.871 -0.344) 2.192 3.062 ( -1.560 0.835 -0.831) 1.954 3.814 ( -5.032 -5.090 -1.503) 7.314 4.216 ( 9.350 3.816 6.507) 12.014 4.320 ( -4.031 2.278 0.662) 4.677 5.148 ( 0.054 -9.224 1.538) 9.351 5.314 ( -0.724 0.284 2.754) 2.862 5.944 ( 6.100 -0.286 -0.223) 6.110 6.127 ( -3.818 0.011 -4.363) 5.798 6.586 ( -0.297 -6.853 -1.179) 6.960 6.793 ( 1.765 -4.510 -4.503) 6.614 6.960 ( 3.534 4.027 -1.080) 5.466 9.481 ( -4.788 -0.818 6.084) 7.786 9.606 ( -2.666 7.894 1.298) 8.433 10.777 ( -1.581 -11.920 -7.115) 13.972 15.090 ( 2.371 0.668 -0.706) 2.563 15.369 ( 0.227 7.769 6.139) 9.905 16.090 ( -2.953 0.805 0.628) 3.124 16.142 ( -1.064 0.767 0.703) 1.488 16.489 ( 0.765 0.010 -0.434) 0.879 17.310 ( 2.359 -5.959 -2.968) 7.063 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 17.643 7.192 7.370) 20.429 1.213 ( 11.820 9.205 4.072) 15.525 1.737 ( -1.895 9.635 11.101) 14.821 2.917 ( 0.111 -1.036 0.151) 1.053 3.027 ( -3.382 1.357 -0.774) 3.725 3.646 ( -7.283 -7.551 -1.484) 10.595 4.275 ( -6.719 5.659 2.767) 9.210 4.437 ( 9.147 0.980 5.641) 10.791 5.064 ( -0.051 -10.002 1.147) 10.068 5.350 ( 3.432 1.560 -0.419) 3.793 5.940 ( 1.919 -3.392 -9.039) 9.844 6.151 ( 2.001 3.671 1.495) 4.440 6.514 ( -0.100 -6.200 -1.618) 6.409 6.776 ( 4.618 -5.542 -0.540) 7.234 7.029 ( 1.158 3.490 -1.196) 3.867 9.397 ( -8.394 -3.135 8.267) 12.191 9.597 ( -8.997 10.988 -0.824) 14.225 10.646 ( 4.526 -12.000 -7.680) 14.949 15.143 ( 4.048 0.592 -1.008) 4.214 15.482 ( 0.227 7.230 5.896) 9.333 16.059 ( -2.442 1.314 1.164) 3.007 16.129 ( -2.013 0.780 1.006) 2.382 16.499 ( 1.149 -0.313 -0.995) 1.552 17.263 ( 1.059 -5.777 -3.387) 6.780 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 9.886 9.479 -2.004) 13.842 1.547 ( 16.308 4.320 8.283) 18.794 1.830 ( 0.308 2.906 8.302) 8.801 2.927 ( 1.321 -0.068 0.201) 1.338 2.972 ( -4.367 1.689 -0.796) 4.749 3.432 ( -9.033 -7.598 -0.943) 11.841 4.236 ( -7.333 6.417 3.363) 10.308 4.568 ( 4.315 -2.242 2.173) 5.326 4.989 ( 1.624 -10.063 1.937) 10.376 5.455 ( 7.826 2.598 -1.134) 8.323 5.901 ( 3.046 -0.975 -10.162) 10.653 6.196 ( -0.429 2.129 -0.388) 2.207 6.453 ( 0.115 -4.263 -2.137) 4.771 6.838 ( 8.099 -6.109 3.836) 10.846 7.043 ( -1.845 1.957 -1.128) 2.917 9.261 ( -9.716 -3.741 7.279) 12.703 9.533 ( -10.867 11.886 -0.532) 16.114 10.603 ( 7.992 -10.154 -6.909) 14.652 15.214 ( 4.745 0.556 -1.170) 4.918 15.564 ( -1.153 4.830 3.935) 6.336 16.060 ( -1.278 3.479 2.131) 4.275 16.103 ( -2.835 0.358 1.757) 3.354 16.508 ( 1.355 -0.545 -1.136) 1.851 17.201 ( 0.554 -5.687 -3.620) 6.764 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.411 3.662 -1.512) 3.983 1.754 ( 3.020 2.978 0.011) 4.241 2.015 ( 14.934 -0.505 8.082) 16.989 2.888 ( -5.963 2.579 -2.277) 6.884 2.974 ( 1.908 0.615 0.982) 2.233 3.227 ( -7.335 -5.840 0.642) 9.398 4.197 ( -7.106 5.747 3.662) 9.846 4.576 ( 1.618 -3.720 -2.529) 4.780 4.942 ( 2.153 -9.982 1.606) 10.337 5.625 ( 9.714 2.636 -0.112) 10.066 5.898 ( 3.503 0.787 -8.209) 8.960 6.192 ( -1.786 2.851 -0.890) 3.480 6.413 ( 1.095 -2.957 -3.648) 4.822 6.938 ( 6.917 -6.208 4.390) 10.279 6.993 ( -3.759 -1.009 0.005) 3.892 9.113 ( -8.444 -2.863 3.810) 9.696 9.483 ( -9.547 11.877 3.288) 15.589 10.624 ( 9.505 -7.542 -6.450) 13.741 15.289 ( 4.418 0.542 -0.712) 4.508 15.574 ( -2.931 1.581 0.666) 3.396 16.060 ( -3.292 1.221 -0.621) 3.566 16.113 ( -0.776 4.564 6.043) 7.613 16.520 ( 1.342 -0.655 -0.532) 1.585 17.140 ( 1.302 -5.447 -3.601) 6.658 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -6.872 -2.767 -3.303) 8.111 1.791 ( -0.672 -0.163 -0.379) 0.788 2.233 ( 6.261 -1.727 0.740) 6.537 2.810 ( -4.174 3.674 -1.445) 5.745 3.011 ( 0.818 0.526 1.544) 1.825 3.136 ( 0.667 -2.333 2.419) 3.426 4.161 ( -5.902 4.627 3.902) 8.454 4.555 ( 1.743 -1.338 -4.688) 5.178 4.881 ( 1.941 -10.934 0.023) 11.105 5.756 ( 3.106 1.181 -3.466) 4.802 5.956 ( 7.067 2.041 -1.418) 7.491 6.194 ( -1.431 4.108 -0.481) 4.377 6.389 ( 1.410 -1.356 -4.736) 5.124 6.876 ( -5.153 -2.318 -3.084) 6.437 7.018 ( 4.869 -7.881 6.972) 11.594 8.994 ( -4.965 -1.797 0.746) 5.333 9.493 ( -7.132 11.999 7.636) 15.911 10.685 ( 10.154 -5.376 -6.767) 13.334 15.353 ( 2.668 0.369 0.897) 2.839 15.518 ( -3.652 -0.251 -2.585) 4.481 16.009 ( -3.234 0.424 -0.385) 3.284 16.180 ( -1.397 5.372 5.297) 7.672 16.531 ( 0.891 -0.776 0.306) 1.221 17.108 ( 3.097 -4.524 -2.767) 6.141 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -9.685 -5.296 -4.937) 12.092 1.715 ( -6.961 -3.399 1.791) 7.951 2.148 ( -10.527 -1.266 -7.207) 12.821 2.825 ( 0.938 2.552 1.110) 2.937 3.023 ( -0.270 -0.777 1.163) 1.424 3.245 ( 10.623 1.390 3.040) 11.137 4.142 ( -4.545 3.763 4.700) 7.544 4.543 ( -0.228 1.079 -5.653) 5.760 4.826 ( 4.683 -10.099 -0.303) 11.136 5.709 ( -4.931 -0.426 -4.636) 6.781 6.122 ( 8.799 3.700 -0.881) 9.586 6.206 ( -0.909 1.825 0.956) 2.252 6.370 ( -0.938 1.346 -3.061) 3.473 6.766 ( -1.846 -3.300 -3.316) 5.029 7.044 ( 2.583 -7.586 6.079) 10.058 8.938 ( -0.266 -1.123 -0.348) 1.205 9.555 ( -5.629 11.447 9.802) 16.087 10.765 ( 10.345 -4.079 -7.543) 13.436 15.376 ( -2.704 -0.949 4.854) 5.637 15.439 ( -1.610 0.294 -6.957) 7.147 15.968 ( -1.614 0.333 -0.704) 1.792 16.219 ( -2.435 3.782 3.461) 5.675 16.535 ( 0.183 -0.946 0.514) 1.093 17.128 ( 4.820 -2.749 -0.740) 5.598 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -12.081 -4.056 -4.258) 13.436 1.536 ( -12.307 -5.189 4.539) 14.107 1.860 ( -17.363 0.782 -9.609) 19.860 2.871 ( 1.457 2.050 0.709) 2.613 3.010 ( -0.441 -1.583 1.024) 1.936 3.487 ( 14.599 1.424 1.167) 14.715 4.133 ( -4.322 2.446 5.647) 7.520 4.480 ( -3.525 -0.555 -5.180) 6.290 4.868 ( 8.515 -4.063 0.319) 9.440 5.565 ( -8.114 -0.859 -4.236) 9.194 6.133 ( -6.044 -1.124 0.114) 6.149 6.302 ( 6.350 0.605 -3.677) 7.362 6.380 ( 1.172 7.098 1.325) 7.315 6.733 ( 3.108 -3.050 -1.900) 4.751 7.037 ( 0.777 -6.374 4.780) 8.005 8.961 ( 4.149 -0.775 0.255) 4.228 9.620 ( -5.495 8.830 8.891) 13.683 10.850 ( 10.051 -3.094 -7.983) 13.204 15.304 ( -5.593 -1.161 1.606) 5.934 15.392 ( -2.438 0.589 -3.329) 4.168 15.963 ( 1.052 0.587 -0.949) 1.533 16.213 ( -2.770 1.203 1.144) 3.229 16.527 ( -0.396 -0.725 0.351) 0.898 17.197 ( 5.355 -0.947 1.462) 5.631 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -13.754 2.126 0.197) 13.918 1.287 ( -16.375 -4.970 6.795) 18.412 1.514 ( -20.122 2.536 -9.015) 22.195 2.920 ( 2.007 2.135 -0.330) 2.949 3.001 ( 0.736 -2.029 1.485) 2.620 3.721 ( 13.162 -0.201 -2.043) 13.321 4.107 ( -4.789 0.233 5.949) 7.640 4.385 ( -3.752 -0.336 -3.323) 5.023 5.003 ( 8.547 0.498 1.752) 8.739 5.405 ( -8.068 0.059 -2.822) 8.548 6.006 ( -7.420 -2.448 2.813) 8.304 6.309 ( 0.127 0.861 -6.640) 6.697 6.543 ( 6.702 7.102 0.797) 9.798 6.768 ( 4.135 -2.178 1.028) 4.785 7.009 ( -0.639 -4.852 3.308) 5.907 9.053 ( 7.021 -0.542 1.696) 7.243 9.626 ( -5.961 2.742 4.314) 7.853 10.941 ( 9.118 -1.016 -6.754) 11.392 15.220 ( -4.854 0.571 0.182) 4.891 15.319 ( -5.097 -0.096 -0.870) 5.171 15.996 ( 2.753 0.770 -0.926) 3.005 16.172 ( -2.222 -1.147 -0.758) 2.613 16.514 ( -0.921 -0.138 0.293) 0.976 17.290 ( 4.815 0.087 2.597) 5.472 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -12.599 12.851 8.914) 20.083 1.007 ( -19.011 -2.110 7.377) 20.501 1.165 ( -21.087 3.591 -4.990) 21.965 2.967 ( 2.336 1.199 -1.426) 2.988 3.012 ( 1.882 -2.369 1.143) 3.235 3.860 ( 6.450 -0.946 -4.508) 7.926 4.065 ( -3.118 -1.529 6.067) 6.991 4.334 ( -1.191 1.255 -1.044) 2.021 5.145 ( 5.624 0.731 3.067) 6.448 5.292 ( -5.458 1.618 0.253) 5.699 5.904 ( -6.294 0.217 3.948) 7.433 6.271 ( 0.954 -0.746 -6.667) 6.776 6.692 ( 5.654 1.562 -0.690) 5.907 6.836 ( 2.302 2.733 2.962) 4.641 6.971 ( -1.107 -2.907 2.051) 3.726 9.186 ( 7.793 -0.325 3.255) 8.452 9.516 ( -6.279 -5.666 -3.211) 9.047 11.052 ( 7.747 2.202 -3.273) 8.694 15.167 ( -3.658 2.962 -0.171) 4.710 15.226 ( -5.668 -0.581 1.255) 5.834 16.046 ( 2.943 0.721 -0.685) 3.107 16.119 ( -1.204 -2.182 -1.516) 2.917 16.499 ( -1.236 0.357 0.305) 1.322 17.374 ( 3.582 -0.258 2.101) 4.160 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -16.373 9.580 0.121) 18.970 0.973 ( -14.490 2.680 11.841) 18.904 1.447 ( -5.881 20.432 16.792) 27.093 2.951 ( 2.510 -1.766 -0.807) 3.173 2.987 ( 1.048 -0.825 -0.792) 1.551 3.904 ( 2.349 4.276 -0.847) 4.951 3.958 ( 4.868 -9.821 -0.801) 10.991 4.435 ( -5.107 4.338 4.625) 8.141 5.141 ( 2.173 -8.176 1.360) 8.568 5.390 ( -1.862 4.025 5.334) 6.936 5.878 ( -8.672 2.730 -0.354) 9.099 6.349 ( 6.545 4.654 -0.129) 8.032 6.598 ( 4.027 -7.499 -2.502) 8.872 6.808 ( -4.536 -4.121 -3.474) 7.045 6.974 ( -4.776 -1.688 -2.626) 5.706 9.206 ( 5.914 0.707 -0.781) 6.008 9.397 ( 6.310 0.595 4.614) 7.839 11.125 ( 0.762 -4.235 -3.814) 5.750 15.132 ( -3.755 0.793 -1.052) 3.979 15.329 ( -2.467 6.202 5.808) 8.847 16.092 ( 2.750 -1.054 3.555) 4.616 16.108 ( 1.847 2.752 -2.242) 4.001 16.495 ( -1.026 0.181 -0.307) 1.086 17.306 ( -0.379 -5.855 -2.790) 6.497 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -10.629 12.346 1.690) 16.378 0.897 ( -8.467 4.977 14.536) 17.543 1.650 ( -3.650 17.880 15.379) 23.865 2.962 ( 0.343 -0.934 -1.105) 1.487 3.015 ( 3.636 -0.474 0.039) 3.667 3.902 ( 0.065 -4.844 -1.210) 4.994 4.013 ( 4.811 1.158 2.177) 5.406 4.410 ( -4.302 3.147 2.568) 5.917 5.104 ( 2.428 -9.659 1.463) 10.066 5.422 ( -3.187 1.875 6.823) 7.760 5.803 ( -2.080 3.176 -1.608) 4.123 6.353 ( -6.561 -4.121 -3.537) 8.517 6.616 ( 5.505 -5.385 -4.883) 9.119 6.675 ( -1.154 -1.485 -4.166) 4.571 6.890 ( -0.829 -1.197 -1.058) 1.800 9.388 ( 10.490 6.466 -1.130) 12.374 9.514 ( 3.823 -1.201 7.484) 8.489 10.986 ( -6.294 -8.803 -5.430) 12.108 15.087 ( -2.051 0.856 -0.855) 2.381 15.398 ( -1.653 7.888 6.587) 10.409 16.138 ( 1.307 0.156 1.298) 1.848 16.149 ( 0.573 2.055 0.662) 2.234 16.481 ( -0.345 -0.229 -0.644) 0.766 17.226 ( 0.958 -6.821 -3.570) 7.758 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -0.218 10.841 7.578) 13.229 0.970 ( 0.764 8.358 9.400) 12.601 1.825 ( -3.267 13.330 12.118) 18.309 2.942 ( -0.906 -1.112 -0.040) 1.435 3.066 ( 1.842 1.192 -0.738) 2.314 3.820 ( -2.622 -6.828 -0.887) 7.367 4.146 ( 6.607 3.726 4.119) 8.632 4.401 ( -1.838 2.335 2.501) 3.884 5.050 ( 1.419 -10.090 0.398) 10.197 5.396 ( -5.498 1.836 4.335) 7.238 5.838 ( 3.897 -0.617 -1.856) 4.361 6.157 ( -5.180 -3.978 -6.212) 9.014 6.554 ( -1.411 -4.959 -0.391) 5.171 6.665 ( 2.951 -4.493 -6.862) 8.716 6.933 ( 3.915 3.391 0.014) 5.180 9.543 ( 1.006 2.572 -0.117) 2.764 9.625 ( 6.473 1.790 5.884) 8.929 10.734 ( -8.822 -9.704 -5.648) 14.280 15.073 ( 0.023 0.843 -0.795) 1.159 15.499 ( -1.049 9.155 7.479) 11.868 16.150 ( -2.070 0.681 1.733) 2.784 16.162 ( -0.277 1.495 -0.034) 1.521 16.472 ( 0.380 -0.634 -1.048) 1.282 17.176 ( 3.352 -7.200 -3.976) 8.882 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 9.616 8.154 9.648) 15.876 1.166 ( 7.416 9.477 3.947) 12.664 1.925 ( -3.928 7.609 7.939) 11.677 2.918 ( -0.911 -0.810 0.714) 1.413 3.079 ( -1.452 2.182 -0.874) 2.763 3.686 ( -5.875 -6.269 -0.326) 8.598 4.327 ( 8.366 1.931 3.859) 9.414 4.415 ( -1.751 2.515 4.028) 5.061 4.967 ( 0.322 -9.994 -0.907) 10.040 5.358 ( -2.806 2.176 1.242) 3.762 5.821 ( 1.255 -4.159 -8.316) 9.382 6.114 ( 4.149 -1.830 -0.248) 4.542 6.487 ( -2.666 -2.719 0.691) 3.870 6.633 ( 4.882 -6.102 -4.998) 9.276 7.025 ( 2.722 3.849 -0.767) 4.776 9.523 ( -4.917 -1.320 4.152) 6.569 9.752 ( 1.416 5.550 1.570) 5.939 10.493 ( -4.714 -9.480 -5.860) 12.101 15.093 ( 2.113 0.701 -0.836) 2.378 15.614 ( -1.525 9.325 7.764) 12.230 16.124 ( -2.800 1.401 1.462) 3.456 16.167 ( -0.978 1.162 0.310) 1.550 16.468 ( 0.956 -0.926 -1.506) 2.010 17.139 ( 3.386 -7.537 -4.439) 9.380 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 14.431 7.334 5.882) 17.224 1.407 ( 10.053 6.914 2.905) 12.543 1.934 ( -4.569 1.696 4.022) 6.319 2.914 ( 0.418 -0.348 1.202) 1.319 3.054 ( -3.711 2.407 -0.663) 4.473 3.516 ( -8.551 -4.824 0.367) 9.825 4.407 ( -3.505 3.937 2.438) 5.808 4.476 ( 4.981 -3.006 2.717) 6.421 4.882 ( 0.997 -8.857 0.381) 8.921 5.380 ( 2.950 2.859 -0.620) 4.155 5.768 ( 3.365 -2.032 -10.161) 10.895 6.167 ( 4.199 -3.226 0.160) 5.297 6.423 ( -2.325 -2.392 -0.258) 3.346 6.674 ( 7.997 -4.534 0.193) 9.195 7.069 ( -0.161 2.322 -1.617) 2.834 9.419 ( -8.634 -2.639 4.666) 10.163 9.789 ( -5.939 8.750 1.824) 10.731 10.359 ( 3.598 -9.451 -6.287) 11.908 15.142 ( 3.765 0.531 -0.988) 3.929 15.694 ( -3.905 7.188 6.316) 10.335 16.124 ( -0.933 3.916 1.404) 4.264 16.156 ( -1.854 0.442 1.719) 2.566 16.469 ( 1.508 -0.960 -1.638) 2.424 17.087 ( 2.480 -7.775 -4.833) 9.485 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 6.962 7.043 -3.567) 10.526 1.703 ( 11.459 2.871 5.787) 13.154 1.885 ( 0.296 -3.387 3.173) 4.650 2.938 ( 1.776 -0.163 1.296) 2.205 3.000 ( -4.994 2.276 -0.959) 5.572 3.336 ( -9.625 -2.443 1.452) 10.035 4.374 ( -5.784 3.304 0.234) 6.665 4.492 ( 2.053 -5.041 0.680) 5.485 4.836 ( 1.176 -7.675 1.057) 7.836 5.502 ( 8.200 3.418 -0.086) 8.884 5.776 ( 5.316 0.472 -8.757) 10.256 6.190 ( 2.682 -2.971 -0.585) 4.045 6.373 ( -1.077 -0.940 -1.569) 2.123 6.783 ( 8.402 -4.916 3.918) 10.494 7.039 ( -3.211 -0.163 -2.462) 4.049 9.263 ( -10.161 -2.616 3.369) 11.020 9.772 ( -8.959 11.006 4.454) 14.874 10.346 ( 9.391 -8.571 -6.973) 14.501 15.210 ( 4.749 0.422 -1.088) 4.890 15.689 ( -6.289 3.631 3.579) 8.096 16.119 ( -2.982 1.438 -0.951) 3.445 16.197 ( 0.367 5.049 5.647) 7.583 16.482 ( 1.963 -0.686 -0.934) 2.279 17.023 ( 2.435 -7.641 -4.950) 9.424 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -6.405 -0.216 -2.046) 6.727 1.773 ( 2.179 0.968 -2.004) 3.115 2.060 ( 13.501 -2.258 3.926) 14.241 2.920 ( -6.066 3.332 -2.094) 7.231 2.978 ( 2.432 -1.443 0.823) 2.945 3.202 ( -6.636 0.180 3.432) 7.473 4.303 ( -4.711 2.069 -1.385) 5.329 4.496 ( 1.683 -1.666 2.063) 3.140 4.768 ( -0.292 -8.310 -1.140) 8.393 5.668 ( 7.392 2.712 -1.329) 7.985 5.844 ( 6.790 2.111 -4.392) 8.358 6.201 ( 2.355 -2.567 -0.150) 3.487 6.359 ( 0.053 2.604 -2.856) 3.865 6.863 ( 3.152 -6.273 2.276) 7.380 6.953 ( -2.240 -2.960 0.155) 3.715 9.098 ( -8.965 -1.732 1.460) 9.247 9.777 ( -7.997 11.841 7.719) 16.241 10.400 ( 11.575 -7.242 -8.057) 15.854 15.286 ( 4.936 0.396 -1.141) 5.081 15.616 ( -7.218 1.464 1.892) 7.605 16.069 ( -3.676 0.711 -0.801) 3.829 16.276 ( -0.827 5.032 4.535) 6.825 16.505 ( 1.655 -0.506 0.168) 1.739 16.981 ( 4.090 -6.038 -3.822) 8.234 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -10.527 -1.018 -0.656) 10.596 1.771 ( -2.016 -1.358 -0.441) 2.470 2.174 ( 1.640 -2.851 -3.003) 4.454 2.869 ( -2.420 3.730 -0.615) 4.489 3.001 ( 1.694 -1.422 -0.190) 2.220 3.180 ( 0.901 0.671 3.892) 4.051 4.259 ( -3.274 2.447 0.659) 4.140 4.541 ( 1.401 2.798 1.422) 3.437 4.672 ( 0.873 -9.366 -1.863) 9.590 5.723 ( -0.250 0.500 -4.244) 4.281 5.994 ( 9.493 3.822 -0.896) 10.273 6.221 ( 1.657 -1.494 1.565) 2.725 6.385 ( 0.681 5.301 -3.314) 6.289 6.759 ( -4.354 -5.863 -3.041) 7.911 6.966 ( 3.188 -6.072 6.283) 9.301 8.974 ( -5.288 -0.608 0.275) 5.330 9.814 ( -6.666 9.995 8.603) 14.777 10.484 ( 12.196 -5.283 -8.532) 15.794 15.356 ( 3.943 0.427 -1.687) 4.309 15.516 ( -7.427 0.582 1.773) 7.658 16.011 ( -3.412 0.571 -0.967) 3.592 16.303 ( -2.528 2.168 1.991) 3.880 16.519 ( 0.837 -1.089 0.155) 1.382 17.011 ( 6.084 -2.422 -0.708) 6.587 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -12.617 2.886 2.371) 13.158 1.678 ( -7.316 -3.594 2.979) 8.679 2.040 ( -10.489 -0.558 -7.965) 13.182 2.890 ( 0.052 3.036 0.940) 3.178 2.998 ( 0.050 -1.759 -0.485) 1.825 3.292 ( 10.208 -0.352 1.426) 10.313 4.234 ( -3.082 0.062 2.431) 3.926 4.524 ( -4.645 0.219 -1.348) 4.842 4.706 ( 8.917 -0.631 1.780) 9.115 5.647 ( -5.440 -0.103 -4.129) 6.831 6.169 ( 6.011 4.145 -2.179) 7.620 6.216 ( -0.929 -2.041 1.722) 2.827 6.436 ( 0.603 6.601 -1.391) 6.773 6.655 ( 0.815 -4.760 -1.201) 4.976 6.986 ( 1.804 -6.162 6.095) 8.853 8.928 ( -0.358 0.273 0.320) 0.552 9.822 ( -6.111 3.707 4.926) 8.681 10.599 ( 11.664 -1.428 -6.710) 13.532 15.380 ( -0.793 1.361 -5.551) 5.770 15.427 ( -5.100 -0.308 5.654) 7.620 15.968 ( -1.590 0.713 -1.026) 2.022 16.262 ( -3.212 -1.354 -0.779) 3.572 16.522 ( 0.527 -0.659 0.278) 0.889 17.109 ( 6.320 0.255 1.904) 6.605 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -13.307 9.331 7.036) 17.710 1.515 ( -11.644 -4.254 6.823) 14.150 1.778 ( -15.955 2.593 -9.128) 18.564 2.926 ( 0.481 2.820 0.218) 2.869 2.974 ( 0.108 -2.631 -0.024) 2.633 3.482 ( 13.528 -1.602 -1.400) 13.694 4.176 ( -3.100 -4.129 1.366) 5.341 4.454 ( -4.571 1.846 1.257) 5.088 4.892 ( 9.193 4.038 3.187) 10.534 5.523 ( -7.462 1.280 -2.596) 8.004 6.103 ( -6.018 -3.886 2.044) 7.449 6.275 ( 1.668 2.894 -5.700) 6.606 6.515 ( 3.404 3.570 -0.262) 4.939 6.702 ( 5.448 2.018 3.159) 6.613 6.983 ( 0.514 -5.394 4.848) 7.271 8.970 ( 4.194 0.551 1.467) 4.477 9.725 ( -6.256 -5.115 -2.085) 8.346 10.756 ( 10.253 3.027 -3.215) 11.164 15.313 ( -4.772 2.695 -3.013) 6.254 15.391 ( -3.870 -0.777 3.758) 5.450 15.966 ( 1.112 0.833 -0.837) 1.621 16.181 ( -2.569 -3.251 -2.310) 4.744 16.526 ( -0.141 0.168 0.466) 0.516 17.226 ( 5.477 0.748 2.615) 6.115 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -11.676 14.832 11.344) 22.023 1.315 ( -14.979 -2.442 9.827) 18.080 1.488 ( -18.069 5.741 -6.987) 20.205 2.951 ( 0.191 0.343 -0.984) 1.060 2.964 ( 1.722 -1.485 0.186) 2.282 3.663 ( 12.439 -2.307 -2.923) 12.984 4.085 ( -2.365 -5.791 -0.076) 6.255 4.427 ( -4.265 3.874 4.232) 7.149 5.078 ( 6.359 2.451 3.419) 7.625 5.418 ( -6.781 3.275 0.072) 7.530 6.008 ( -3.653 -1.269 3.130) 4.975 6.245 ( -2.376 1.580 -6.290) 6.907 6.584 ( 5.177 -3.367 -0.893) 6.240 6.867 ( 3.969 9.054 3.974) 10.655 6.961 ( -0.225 -4.797 3.617) 6.012 9.081 ( 7.153 -0.044 3.326) 7.888 9.510 ( -6.556 -10.790 -8.021) 14.958 10.936 ( 8.672 4.734 -0.969) 9.927 15.256 ( -4.015 3.702 -2.775) 6.126 15.331 ( -5.536 -0.229 4.831) 7.351 16.002 ( 2.697 0.551 -0.293) 2.768 16.104 ( -1.256 -2.829 -2.446) 3.945 16.523 ( -0.890 0.565 0.315) 1.100 17.319 ( 4.014 -0.542 1.600) 4.355 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -14.216 3.421 7.793) 16.569 1.275 ( -13.164 6.711 1.746) 14.879 1.819 ( -7.033 17.130 13.476) 22.902 2.886 ( 2.618 -2.500 -0.490) 3.653 2.974 ( 0.002 0.693 -1.437) 1.595 3.676 ( 11.869 -9.982 -1.351) 15.567 3.952 ( -0.488 2.692 -1.116) 2.955 4.591 ( -4.210 3.261 7.066) 8.848 5.042 ( 0.154 -9.103 0.040) 9.104 5.513 ( -4.428 6.728 2.143) 8.334 6.051 ( -8.502 2.841 -0.274) 8.968 6.263 ( 8.935 5.043 -2.156) 10.484 6.459 ( 2.170 -7.175 -1.007) 7.563 6.816 ( -4.140 -5.052 -3.376) 7.352 7.016 ( -5.275 -3.500 -2.575) 6.834 9.133 ( 4.631 0.661 3.097) 5.610 9.308 ( 7.641 0.669 1.898) 7.902 11.041 ( 2.035 -3.359 -4.580) 6.034 15.200 ( -4.377 0.867 -1.395) 4.675 15.460 ( -2.188 5.686 6.031) 8.573 16.054 ( 3.159 -1.755 4.617) 5.864 16.085 ( 2.631 3.550 -3.383) 5.565 16.510 ( -1.300 -0.229 -0.871) 1.581 17.247 ( -0.986 -5.436 -2.629) 6.119 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -13.493 10.388 1.102) 17.064 1.177 ( -10.723 3.553 12.044) 16.513 1.949 ( -4.584 13.931 11.405) 18.579 2.922 ( 3.420 -0.478 -0.078) 3.455 2.975 ( 0.660 0.472 -0.838) 1.166 3.735 ( 8.549 -11.366 -0.717) 14.241 4.005 ( 2.052 5.628 0.945) 6.065 4.556 ( -7.147 2.053 4.203) 8.542 4.976 ( 2.585 -10.401 0.990) 10.763 5.532 ( -2.641 5.325 3.565) 6.931 5.922 ( -8.975 3.172 -1.647) 9.660 6.369 ( -3.782 -4.735 -4.601) 7.609 6.423 ( 7.281 -4.793 -5.085) 10.092 6.672 ( -2.240 -2.056 -3.892) 4.940 6.890 ( -2.853 -3.787 -0.652) 4.786 9.300 ( 7.971 7.631 1.484) 11.134 9.450 ( 7.209 -2.112 6.495) 9.930 10.949 ( -2.816 -7.402 -6.528) 10.263 15.135 ( -3.541 0.848 -1.020) 3.781 15.534 ( -1.000 7.527 6.729) 10.145 16.117 ( 2.580 -0.667 3.097) 4.085 16.150 ( 2.563 3.622 -0.558) 4.472 16.480 ( -0.942 -0.749 -1.256) 1.740 17.144 ( -1.568 -7.004 -3.955) 8.195 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -7.574 11.043 3.500) 13.841 1.145 ( -6.380 4.906 11.484) 14.023 2.049 ( -3.654 9.062 7.632) 12.399 2.946 ( -0.141 -0.186 -0.088) 0.250 3.025 ( 4.037 1.978 -0.154) 4.499 3.739 ( 3.791 -8.540 0.189) 9.345 4.120 ( 4.265 4.704 3.065) 7.051 4.477 ( -5.034 0.171 1.824) 5.357 4.928 ( 2.126 -10.079 0.645) 10.321 5.546 ( -4.860 3.706 4.862) 7.809 5.826 ( -4.183 1.900 -2.428) 5.197 6.146 ( -6.366 -7.750 -9.669) 13.931 6.425 ( 5.639 -7.364 -6.020) 11.058 6.638 ( -3.207 -1.111 -0.347) 3.412 6.895 ( 4.229 2.233 0.645) 4.826 9.496 ( 6.806 7.944 -4.978) 11.585 9.574 ( 5.533 -3.781 11.368) 13.197 10.752 ( -7.019 -8.418 -6.223) 12.604 15.093 ( -1.964 0.856 -0.874) 2.314 15.645 ( -0.322 9.061 7.810) 11.967 16.159 ( 1.297 0.457 1.160) 1.799 16.203 ( -0.469 2.505 1.226) 2.828 16.454 ( -0.181 -1.101 -1.563) 1.920 17.041 ( 0.992 -7.735 -4.650) 9.080 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.582 8.662 7.063) 11.192 1.206 ( 0.561 6.848 6.315) 9.332 2.080 ( -3.985 3.598 3.506) 6.413 2.933 ( -0.954 -0.403 0.500) 1.151 3.100 ( 1.633 3.261 -0.297) 3.659 3.699 ( -1.487 -5.092 1.407) 5.488 4.254 ( 5.504 2.617 3.116) 6.845 4.441 ( 0.091 -1.894 2.214) 2.915 4.860 ( 0.979 -8.529 -1.822) 8.777 5.497 ( -7.837 3.811 3.645) 9.446 5.748 ( -2.661 -3.346 -6.052) 7.410 6.015 ( 2.502 -3.951 -3.453) 5.813 6.428 ( 7.205 -5.878 -6.088) 11.114 6.548 ( -4.723 -2.511 0.401) 5.364 7.005 ( 4.024 3.905 0.198) 5.610 9.571 ( 0.204 0.607 -0.014) 0.641 9.712 ( 6.531 1.045 4.070) 7.766 10.517 ( -8.710 -6.792 -4.522) 11.935 15.079 ( -0.038 0.740 -0.750) 1.054 15.778 ( -0.762 10.093 8.887) 13.470 16.181 ( -0.367 0.087 2.097) 2.130 16.196 ( -2.571 2.514 -0.772) 3.678 16.436 ( 0.489 -1.261 -1.738) 2.202 16.977 ( 3.519 -8.301 -5.113) 10.365 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 8.338 5.113 8.464) 12.935 1.351 ( 6.009 7.534 0.379) 9.645 2.032 ( -4.870 -0.865 0.547) 4.977 2.920 ( -0.610 -0.512 1.122) 1.376 3.126 ( -2.069 3.406 -0.271) 3.995 3.614 ( -6.215 -2.010 2.279) 6.918 4.355 ( 4.786 -2.392 -0.672) 5.392 4.459 ( 1.973 -2.665 3.793) 5.038 4.799 ( 1.327 -4.541 -2.375) 5.294 5.438 ( -5.400 4.081 2.774) 7.315 5.655 ( 0.895 -2.307 -7.889) 8.267 6.042 ( 5.224 -5.007 0.501) 7.253 6.434 ( 0.915 -6.190 -2.868) 6.883 6.512 ( 4.618 0.452 -0.616) 4.680 7.077 ( 1.063 2.499 -0.869) 2.851 9.533 ( -5.001 -1.563 2.368) 5.749 9.837 ( 5.685 1.967 0.306) 6.023 10.310 ( -7.527 -4.231 -2.700) 9.047 15.096 ( 1.895 0.561 -0.679) 2.089 15.886 ( -4.613 8.881 8.426) 13.082 16.175 ( -0.801 2.648 0.904) 2.911 16.190 ( -0.748 0.996 0.449) 1.324 16.427 ( 1.156 -1.097 -1.735) 2.356 16.926 ( 3.719 -8.864 -5.558) 11.104 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 7.877 6.195 -3.535) 10.627 1.548 ( 13.091 1.926 7.130) 15.031 1.926 ( -5.669 -2.948 -0.225) 6.394 2.921 ( 0.585 -0.749 1.603) 1.864 3.097 ( -4.510 2.638 -0.458) 5.245 3.494 ( -9.241 0.393 2.459) 9.571 4.348 ( 1.835 -5.100 -5.149) 7.476 4.481 ( 0.870 -3.121 4.409) 5.471 4.787 ( 0.545 -1.414 -0.771) 1.700 5.459 ( 1.440 4.321 2.897) 5.397 5.652 ( 4.684 1.327 -7.177) 8.673 6.073 ( 4.716 -6.736 1.130) 8.301 6.378 ( -0.454 -2.306 -1.401) 2.736 6.625 ( 8.505 -1.097 0.377) 8.584 7.069 ( -2.359 -0.033 -2.196) 3.223 9.417 ( -8.861 -1.815 2.450) 9.371 9.943 ( 3.954 4.034 0.600) 5.681 10.170 ( -3.640 -3.287 -2.172) 5.364 15.141 ( 3.502 0.399 -0.653) 3.584 15.873 ( -8.492 4.357 4.618) 10.603 16.168 ( -2.194 1.114 -0.877) 2.612 16.259 ( 2.002 5.601 4.758) 7.617 16.437 ( 2.115 -0.294 -0.963) 2.343 16.864 ( 3.418 -9.164 -5.882) 11.413 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 5.334 4.023 -4.956) 8.319 1.779 ( -0.387 0.991 2.332) 2.563 1.839 ( 8.756 -4.361 3.079) 10.255 2.939 ( 1.314 -1.361 1.356) 2.327 3.032 ( -5.414 2.411 -1.005) 6.011 3.361 ( -9.541 1.303 1.943) 9.823 4.301 ( 0.839 -1.061 -5.759) 5.915 4.483 ( 1.005 -5.228 4.913) 7.244 4.753 ( -3.131 -0.298 -0.795) 3.244 5.585 ( 6.050 4.242 2.070) 7.674 5.735 ( 6.554 4.085 -4.898) 9.145 6.090 ( 4.932 -7.424 2.017) 9.139 6.366 ( 0.790 1.234 -1.927) 2.421 6.745 ( 6.959 -2.841 1.999) 7.778 6.980 ( -4.666 -2.545 -3.061) 6.133 9.256 ( -10.478 -1.080 1.712) 10.671 10.043 ( -5.145 10.598 7.189) 13.801 10.109 ( 8.212 -7.866 -7.645) 13.702 15.206 ( 4.532 0.301 -0.704) 4.596 15.780 ( -8.834 2.062 2.547) 9.423 16.126 ( -3.200 0.590 -0.940) 3.387 16.350 ( -0.076 4.043 3.176) 5.142 16.478 ( 1.823 0.875 0.760) 2.161 16.819 ( 5.392 -7.017 -4.452) 9.907 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -8.316 3.451 2.284) 9.289 1.752 ( 1.526 -0.002 -2.414) 2.856 2.023 ( 10.868 -4.259 0.363) 11.678 2.930 ( -1.639 -0.205 -1.035) 1.950 2.990 ( -1.651 2.013 0.474) 2.646 3.245 ( -6.114 0.028 0.788) 6.165 4.292 ( -0.043 2.023 -3.289) 3.861 4.488 ( 3.905 -5.716 3.140) 7.602 4.688 ( -5.233 1.886 0.739) 5.611 5.696 ( 2.282 2.630 -1.689) 3.870 5.886 ( 8.656 5.832 -1.128) 10.499 6.137 ( 6.345 -5.210 3.867) 9.075 6.395 ( 1.488 3.253 -2.443) 4.332 6.755 ( -3.282 -6.152 -0.662) 7.004 6.905 ( 1.925 -2.479 0.890) 3.263 9.096 ( -9.247 0.173 0.883) 9.291 10.007 ( -3.996 -1.557 -0.432) 4.310 10.236 ( 8.877 4.089 -0.229) 9.776 15.279 ( 4.658 0.279 -1.054) 4.784 15.667 ( -8.389 1.160 2.155) 8.738 16.068 ( -3.702 0.501 -1.208) 3.926 16.362 ( -2.504 0.127 0.382) 2.536 16.491 ( 0.867 -1.504 -0.581) 1.831 16.882 ( 7.745 -0.564 0.328) 7.772 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -10.907 7.086 6.267) 14.438 1.735 ( -2.024 -1.650 -0.089) 2.613 2.071 ( 0.470 -2.954 -4.257) 5.203 2.915 ( 0.037 0.741 -0.001) 0.742 2.991 ( -0.658 1.151 -0.391) 1.382 3.192 ( 1.143 -1.519 -0.640) 2.006 4.257 ( -1.879 -3.722 -1.469) 4.420 4.553 ( 3.246 0.834 0.181) 3.357 4.663 ( -0.755 4.628 4.601) 6.570 5.694 ( -2.518 1.260 -2.288) 3.628 6.079 ( 8.363 6.304 -2.485) 10.764 6.215 ( 2.233 -2.565 4.464) 5.612 6.449 ( 3.240 3.797 -1.006) 5.092 6.616 ( -3.289 -6.433 0.142) 7.226 6.941 ( 2.398 -2.587 3.171) 4.743 8.985 ( -5.475 1.344 0.418) 5.653 9.891 ( -3.177 -7.716 -5.255) 9.861 10.437 ( 8.135 7.521 2.565) 11.372 15.339 ( 3.151 0.453 -2.155) 3.844 15.564 ( -7.255 0.907 3.204) 7.983 16.008 ( -3.220 0.615 -1.363) 3.550 16.281 ( -3.546 -4.031 -2.586) 5.959 16.502 ( 1.513 -0.365 0.269) 1.579 17.025 ( 7.031 2.126 2.547) 7.774 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -10.919 9.506 8.015) 16.547 1.662 ( -6.507 -1.457 4.692) 8.153 1.956 ( -8.931 1.635 -6.109) 10.943 2.920 ( 0.817 -2.100 0.148) 2.258 2.981 ( -1.477 1.910 -1.111) 2.658 3.261 ( 9.680 -2.033 -1.720) 10.040 4.162 ( -2.169 -6.658 -1.732) 7.214 4.557 ( -3.529 2.348 2.955) 5.167 4.829 ( 7.812 7.359 4.259) 11.546 5.633 ( -5.432 2.493 -1.223) 6.101 6.155 ( -5.182 -4.942 0.615) 7.187 6.218 ( 5.514 3.319 -5.559) 8.504 6.513 ( -0.785 1.043 -0.464) 1.385 6.650 ( 8.294 2.386 8.616) 12.196 6.962 ( 0.624 -1.865 2.821) 3.439 8.955 ( -0.462 1.690 0.675) 1.878 9.694 ( -4.225 -12.417 -8.936) 15.871 10.657 ( 7.785 7.981 2.991) 11.543 15.353 ( -0.427 1.313 -3.594) 3.850 15.495 ( -5.325 0.653 5.080) 7.388 15.969 ( -1.232 0.739 -1.158) 1.845 16.168 ( -2.661 -4.846 -3.332) 6.455 16.526 ( 0.883 0.421 0.554) 1.124 17.162 ( 5.593 1.742 2.554) 6.390 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -9.082 3.934 6.535) 11.860 1.577 ( -10.540 4.823 8.931) 14.633 1.780 ( -13.869 8.503 -2.527) 16.463 2.905 ( 1.178 -3.858 -0.675) 4.090 2.974 ( -0.836 2.159 -1.301) 2.656 3.411 ( 12.600 -3.322 -2.350) 13.240 4.057 ( -1.925 -5.828 -1.886) 6.421 4.548 ( -3.068 2.492 5.089) 6.443 5.033 ( 5.850 4.892 3.410) 8.354 5.564 ( -6.465 4.456 0.615) 7.876 6.037 ( -2.607 -3.287 -0.468) 4.221 6.258 ( 0.911 1.438 -5.891) 6.132 6.499 ( 0.151 -2.379 0.903) 2.549 6.879 ( 7.034 2.005 9.520) 12.006 6.967 ( -0.791 3.190 0.806) 3.384 9.005 ( 4.144 0.481 1.952) 4.606 9.435 ( -4.980 -13.213 -10.430) 17.555 10.860 ( 7.075 6.027 1.590) 9.429 15.320 ( -2.640 2.148 -3.338) 4.768 15.453 ( -4.955 1.008 5.694) 7.615 15.972 ( 1.315 0.485 -0.334) 1.441 16.078 ( -1.096 -3.339 -2.967) 4.600 16.539 ( -0.155 0.597 0.205) 0.650 17.259 ( 3.857 -0.137 1.361) 4.092 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -6.774 0.858 8.115) 10.606 1.565 ( -12.527 7.163 -0.805) 14.453 2.134 ( -6.890 11.058 7.864) 15.218 2.811 ( 3.469 -1.933 -1.323) 4.185 2.973 ( 0.001 0.572 -1.555) 1.657 3.396 ( 9.955 -9.106 -0.080) 13.492 3.974 ( 0.525 3.101 -0.291) 3.159 4.686 ( 0.422 1.302 5.887) 6.045 4.985 ( -4.322 -8.811 -1.245) 9.892 5.676 ( -5.849 7.050 1.333) 9.256 6.126 ( 4.155 -1.995 -6.367) 7.860 6.150 ( 3.910 4.574 1.551) 6.214 6.433 ( -4.071 -1.088 1.205) 4.383 6.807 ( -3.630 -5.183 -4.398) 7.706 7.046 ( -5.233 -5.320 -2.379) 7.833 9.102 ( 5.781 0.420 10.887) 12.333 9.205 ( 5.262 3.376 -4.035) 7.441 10.950 ( 1.473 -3.600 -4.727) 6.122 15.267 ( -3.877 0.740 -1.233) 4.135 15.566 ( -1.048 3.824 4.822) 6.243 16.016 ( 2.839 -1.331 4.293) 5.316 16.051 ( 2.986 3.489 -3.074) 5.526 16.523 ( -1.388 -0.483 -1.034) 1.797 17.208 ( -1.565 -4.285 -2.092) 5.019 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -11.056 3.101 7.944) 13.963 1.443 ( -10.993 8.338 2.456) 14.014 2.166 ( -3.796 6.196 4.501) 8.547 2.865 ( 3.733 1.090 0.730) 3.957 2.971 ( 0.106 0.979 -1.535) 1.824 3.472 ( 10.384 -10.221 1.168) 14.617 4.035 ( 1.552 5.501 1.030) 5.808 4.700 ( -5.798 0.375 3.721) 6.899 4.846 ( 1.530 -10.659 0.254) 10.772 5.660 ( -4.616 6.571 1.017) 8.094 6.050 ( -3.848 -0.490 -5.470) 6.706 6.281 ( 2.672 -1.516 0.753) 3.163 6.354 ( -3.963 -3.403 -5.383) 7.501 6.654 ( -1.566 -2.237 -5.580) 6.212 6.904 ( -4.214 -5.406 0.562) 6.878 9.300 ( 4.634 9.827 5.407) 12.137 9.324 ( 9.279 -2.794 4.448) 10.663 10.868 ( -0.844 -7.129 -7.350) 10.274 15.200 ( -4.213 0.700 -0.976) 4.381 15.638 ( 0.658 5.542 5.564) 7.880 16.083 ( 3.177 -0.805 3.639) 4.897 16.132 ( 3.654 4.678 -0.745) 5.982 16.484 ( -1.531 -0.961 -1.399) 2.286 17.099 ( -3.361 -6.331 -3.654) 8.045 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -10.790 7.990 3.480) 13.870 1.377 ( -9.072 4.486 8.673) 13.328 2.174 ( -1.767 1.499 0.728) 2.429 2.935 ( 1.740 0.740 0.421) 1.937 2.994 ( 2.376 3.271 -0.153) 4.046 3.558 ( 9.195 -7.673 2.556) 12.246 4.130 ( 2.411 5.377 2.570) 6.429 4.566 ( -6.629 -4.059 -1.614) 7.939 4.821 ( 1.608 -7.385 3.678) 8.405 5.661 ( -3.114 4.531 2.120) 5.893 5.942 ( -6.278 1.335 -4.093) 7.612 6.118 ( -7.690 -7.999 -11.806) 16.202 6.257 ( 1.404 -5.868 -2.329) 6.468 6.676 ( -0.868 0.829 0.506) 1.303 6.852 ( 2.715 0.084 1.558) 3.131 9.441 ( 6.168 5.392 -5.509) 9.873 9.513 ( 6.087 0.131 13.612) 14.911 10.716 ( -3.159 -8.260 -7.617) 11.672 15.139 ( -3.397 0.702 -0.834) 3.568 15.753 ( 1.921 6.879 6.524) 9.674 16.140 ( 2.366 0.191 1.545) 2.832 16.231 ( 2.021 4.431 1.884) 5.222 16.443 ( -1.092 -1.210 -1.582) 2.271 16.954 ( -2.756 -7.743 -4.893) 9.565 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -5.847 7.721 3.337) 10.244 1.344 ( -5.599 3.755 8.044) 10.496 2.141 ( -1.573 -2.035 -1.953) 3.229 2.942 ( -0.279 -0.128 -0.438) 0.535 3.092 ( 3.558 4.421 0.819) 5.734 3.644 ( 5.174 -3.581 3.743) 7.321 4.231 ( 2.741 2.934 2.337) 4.646 4.435 ( -2.692 -4.378 -1.648) 5.397 4.778 ( -0.562 -6.387 1.539) 6.594 5.640 ( -4.352 0.026 1.682) 4.666 5.808 ( -8.737 0.381 -3.784) 9.529 5.939 ( -0.269 -1.869 -6.130) 6.414 6.227 ( 4.567 -5.674 -5.070) 8.875 6.608 ( -4.631 -2.682 1.301) 5.507 6.970 ( 5.331 3.921 1.208) 6.727 9.537 ( 4.150 2.012 -2.703) 5.346 9.662 ( 4.192 0.637 7.631) 8.730 10.538 ( -4.794 -6.777 -5.707) 10.073 15.097 ( -1.897 0.601 -0.668) 2.099 15.902 ( 2.720 7.881 7.699) 11.348 16.181 ( 1.349 0.629 0.668) 1.631 16.276 ( -3.051 3.830 1.837) 5.230 16.412 ( -0.198 -1.154 -1.563) 1.953 16.827 ( 0.783 -8.723 -5.710) 10.455 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 1.008 4.410 4.218) 6.185 1.370 ( -0.027 4.348 3.294) 5.455 2.068 ( -2.501 -3.387 -2.453) 4.872 2.930 ( -0.579 -0.365 0.161) 0.703 3.173 ( 0.683 3.834 0.374) 3.912 3.687 ( -0.981 -0.190 4.076) 4.197 4.269 ( 1.673 -2.768 -2.144) 3.880 4.403 ( 2.325 -2.739 1.721) 3.984 4.729 ( 0.731 -3.251 -0.955) 3.467 5.563 ( -2.725 -2.056 -0.994) 3.556 5.672 ( -8.340 3.752 -0.199) 9.147 5.940 ( 3.039 -1.776 -1.010) 3.662 6.240 ( 7.254 -5.822 -5.242) 10.676 6.533 ( -2.676 -0.777 0.924) 2.936 7.070 ( 2.408 2.557 0.212) 3.518 9.572 ( -0.045 -0.275 0.035) 0.281 9.759 ( 4.039 0.250 1.974) 4.503 10.381 ( -5.491 -3.246 -2.536) 6.864 15.083 ( -0.053 0.430 -0.462) 0.634 16.070 ( 1.210 8.511 9.880) 13.096 16.203 ( 0.332 0.772 0.216) 0.868 16.231 ( -5.177 2.353 -1.207) 5.813 16.396 ( 0.364 -0.759 -1.168) 1.440 16.748 ( 3.455 -8.998 -5.797) 11.248 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 7.328 0.115 3.485) 8.116 1.458 ( 5.112 4.482 -1.564) 6.976 1.981 ( -3.790 -1.876 -0.474) 4.255 2.923 ( -0.250 -0.456 1.090) 1.208 3.181 ( -3.055 2.027 -0.178) 3.671 3.652 ( -6.565 1.462 2.723) 7.256 4.245 ( 2.006 -3.674 -3.428) 5.410 4.428 ( 2.460 -3.831 1.836) 4.909 4.740 ( 3.156 0.100 -2.355) 3.939 5.534 ( 0.233 0.726 0.796) 1.102 5.617 ( -3.830 5.844 0.883) 7.043 5.960 ( 2.931 -4.501 0.856) 5.439 6.272 ( 6.314 -6.420 -2.726) 9.408 6.539 ( 2.685 2.155 -0.568) 3.490 7.089 ( -1.330 0.025 -1.195) 1.788 9.529 ( -4.944 -0.954 1.340) 5.211 9.829 ( 5.367 -1.354 -1.981) 5.879 10.279 ( -5.457 1.464 1.245) 5.786 15.098 ( 1.808 0.251 -0.254) 1.843 16.082 ( -9.787 2.479 3.690) 10.749 16.199 ( -1.197 0.759 -0.852) 1.653 16.289 ( 4.511 6.246 4.101) 8.728 16.403 ( 1.750 0.785 -0.212) 1.930 16.684 ( 3.174 -9.322 -5.949) 11.505 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 7.904 0.795 -4.174) 8.973 1.606 ( 11.130 -1.197 1.165) 11.255 1.914 ( -5.275 1.904 3.085) 6.401 2.927 ( 0.253 -0.597 1.567) 1.696 3.123 ( -4.619 0.321 -0.618) 4.671 3.538 ( -9.729 1.150 -0.301) 9.801 4.245 ( 2.179 0.809 -2.569) 3.464 4.424 ( 1.281 -5.819 1.878) 6.247 4.777 ( 1.414 1.924 -2.849) 3.717 5.594 ( 2.311 3.948 4.967) 6.753 5.672 ( 2.871 6.940 -1.431) 7.645 5.963 ( 3.274 -7.201 2.931) 8.436 6.301 ( 5.075 -3.665 -1.668) 6.479 6.632 ( 6.093 1.814 -0.813) 6.409 7.016 ( -4.672 -2.590 -2.488) 5.893 9.418 ( -8.772 -0.419 1.458) 8.902 9.877 ( 6.337 -4.639 -5.659) 9.680 10.255 ( -4.437 6.664 5.588) 9.763 15.141 ( 3.363 0.098 -0.102) 3.366 15.952 ( -9.160 0.753 0.708) 9.218 16.170 ( -2.343 0.178 -0.733) 2.461 16.380 ( 1.056 1.374 1.006) 2.003 16.496 ( 0.444 5.066 3.419) 6.127 16.626 ( 6.738 -7.425 -4.596) 11.030 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 6.365 0.634 -6.599) 9.190 1.771 ( 11.108 -6.071 0.673) 12.677 1.892 ( -5.006 6.654 6.691) 10.682 2.930 ( -0.170 -0.724 0.710) 1.028 3.052 ( -3.357 -0.264 -0.163) 3.371 3.372 ( -9.793 0.522 -3.123) 10.292 4.280 ( 0.861 0.751 -2.830) 3.052 4.412 ( 2.465 -1.957 2.949) 4.313 4.779 ( -2.142 2.624 -1.176) 3.586 5.705 ( 1.257 4.823 3.186) 5.915 5.811 ( 7.126 7.403 -1.513) 10.386 5.997 ( 6.728 -6.879 7.151) 11.988 6.349 ( 4.543 -0.808 -1.810) 4.956 6.724 ( 2.849 -1.047 -0.095) 3.037 6.887 ( -3.804 -2.916 -2.925) 5.615 9.269 ( -10.338 0.783 1.002) 10.416 9.861 ( 4.252 -8.530 -8.846) 13.004 10.332 ( -1.142 10.226 8.529) 13.365 15.204 ( 4.302 -0.007 -0.116) 4.304 15.818 ( -8.144 0.088 0.098) 8.145 16.121 ( -3.194 0.136 -1.116) 3.386 16.389 ( -1.981 -1.814 -0.771) 2.795 16.456 ( 0.081 -3.098 -2.034) 3.707 16.769 ( 8.665 3.876 3.096) 9.984 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 2.800 -0.616 -5.077) 5.830 1.818 ( -0.800 -0.541 2.951) 3.105 1.976 ( 2.940 3.474 4.547) 6.434 2.916 ( -0.665 -0.513 -0.456) 0.956 3.011 ( -1.088 -1.697 0.411) 2.057 3.221 ( -6.469 1.549 -4.374) 7.961 4.220 ( -1.392 -6.331 -2.644) 7.001 4.532 ( 4.776 8.057 2.573) 9.713 4.754 ( -2.857 1.980 1.221) 3.684 5.742 ( -1.772 2.622 1.168) 3.373 5.982 ( 7.808 3.990 -2.936) 9.247 6.155 ( 8.119 0.681 9.908) 12.828 6.402 ( 3.832 -0.454 -0.560) 3.899 6.637 ( -5.431 -5.253 -0.153) 7.558 6.890 ( 3.693 0.943 -0.773) 3.889 9.125 ( -9.163 2.111 0.203) 9.405 9.749 ( 0.852 -11.850 -10.489) 15.848 10.492 ( 2.056 10.680 8.494) 13.800 15.273 ( 4.210 -0.020 -0.443) 4.233 15.698 ( -6.846 0.039 0.508) 6.865 16.059 ( -3.526 0.263 -1.464) 3.827 16.272 ( -3.699 -6.126 -3.667) 8.041 16.473 ( 2.071 0.221 0.546) 2.154 16.958 ( 7.046 4.491 3.502) 9.060 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -1.331 -1.834 -1.749) 2.862 1.810 ( -2.684 1.612 2.257) 3.859 2.054 ( -2.619 6.465 4.465) 8.282 2.888 ( -0.364 -3.396 -1.367) 3.679 2.989 ( 0.672 -1.661 -0.749) 1.942 3.164 ( -0.252 2.938 -3.064) 4.252 4.116 ( -1.712 -6.880 -2.132) 7.403 4.642 ( -2.116 4.303 0.821) 4.865 4.816 ( 5.726 6.731 4.021) 9.709 5.733 ( -3.421 3.072 1.692) 4.899 6.097 ( 6.859 -0.148 -3.995) 7.939 6.201 ( -5.383 -3.491 -0.670) 6.451 6.515 ( 3.961 1.304 0.777) 4.242 6.601 ( 5.433 1.267 11.107) 12.429 6.952 ( 2.232 2.391 -0.204) 3.277 9.025 ( -5.614 2.722 -0.690) 6.277 9.551 ( -1.943 -14.357 -10.982) 18.180 10.679 ( 3.623 9.064 6.620) 11.795 15.325 ( 2.555 0.183 -1.140) 2.804 15.609 ( -5.061 0.395 1.741) 5.367 16.001 ( -2.817 0.389 -1.464) 3.198 16.141 ( -2.798 -5.670 -3.402) 7.180 16.513 ( 1.670 0.633 0.737) 1.932 17.113 ( 5.199 3.236 2.743) 6.710 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -3.690 -1.737 1.230) 4.260 1.778 ( -4.704 1.922 0.633) 5.120 2.077 ( -8.585 11.859 7.022) 16.237 2.837 ( 1.118 -5.198 -2.735) 5.979 2.984 ( 0.388 -0.324 -1.448) 1.534 3.218 ( 5.934 0.167 -1.509) 6.126 4.023 ( -1.397 -4.954 -1.545) 5.374 4.629 ( -2.272 1.254 2.338) 3.493 5.014 ( 5.804 6.525 3.010) 9.238 5.711 ( -5.051 4.568 2.572) 7.280 6.045 ( -4.106 -4.376 -3.829) 7.119 6.162 ( 4.675 -2.528 -2.910) 6.059 6.526 ( -1.482 1.066 -0.080) 1.827 6.824 ( 6.695 -0.782 10.392) 12.387 7.022 ( 1.633 7.247 1.437) 7.567 8.988 ( -0.841 1.336 -0.952) 1.844 9.316 ( -2.950 -12.668 -8.969) 15.800 10.841 ( 3.878 5.740 3.403) 7.718 15.340 ( -0.099 0.686 -1.703) 1.839 15.561 ( -3.603 0.881 3.192) 4.893 15.967 ( -0.697 0.330 -0.775) 1.093 16.046 ( -1.190 -3.568 -2.611) 4.579 16.542 ( 0.665 0.560 0.302) 0.920 17.214 ( 3.187 1.038 1.417) 3.640 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -1.602 1.627 3.381) 4.080 1.764 ( -4.998 3.377 1.114) 6.134 2.271 ( -0.653 -2.983 -3.274) 4.477 2.761 ( 1.568 3.861 2.015) 4.629 2.966 ( -0.010 0.186 -0.433) 0.471 3.222 ( 3.393 -5.209 1.417) 6.376 3.994 ( 1.012 3.875 0.672) 4.061 4.680 ( 2.632 -0.624 1.781) 3.238 4.994 ( -6.439 -7.338 -1.980) 9.962 5.797 ( -1.196 1.095 -1.426) 2.159 6.023 ( 2.896 1.804 2.236) 4.079 6.122 ( 2.936 2.673 -1.142) 4.132 6.515 ( -3.384 0.378 0.774) 3.492 6.795 ( -4.487 -2.922 -7.425) 9.154 7.053 ( -4.068 -6.822 -2.055) 8.204 9.042 ( 5.964 -2.078 6.390) 8.985 9.210 ( 1.922 9.804 2.545) 10.310 10.877 ( -0.677 -4.610 -4.353) 6.376 15.319 ( -2.311 0.265 -0.163) 2.332 15.608 ( 1.201 1.024 1.306) 2.049 15.987 ( 2.191 -0.306 1.947) 2.947 16.030 ( 2.127 3.275 0.234) 3.912 16.534 ( -1.214 -0.547 -0.710) 1.509 17.196 ( -2.319 -2.675 -1.657) 3.909 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -4.488 1.385 6.807) 8.270 1.706 ( -9.072 7.541 0.985) 11.838 2.199 ( 0.293 -5.473 -5.424) 7.711 2.851 ( 2.189 4.761 2.484) 5.799 2.969 ( 0.271 1.169 -0.949) 1.530 3.258 ( 6.990 -7.187 3.290) 10.551 4.071 ( 1.594 6.071 1.618) 6.482 4.728 ( 3.067 -5.852 1.879) 6.869 4.793 ( -6.575 -5.216 -1.904) 8.606 5.778 ( -2.074 2.459 -1.222) 3.441 6.007 ( -1.849 -2.490 -2.230) 3.820 6.252 ( 4.210 1.899 0.944) 4.714 6.424 ( -8.733 -0.313 -4.149) 9.673 6.622 ( -1.991 -2.490 -7.118) 7.799 6.929 ( -4.038 -4.890 1.279) 6.469 9.165 ( 8.971 -3.234 2.687) 9.908 9.394 ( 2.208 12.692 8.723) 15.559 10.766 ( -1.100 -7.970 -7.545) 11.029 15.268 ( -3.944 0.382 -0.368) 3.980 15.669 ( 3.124 2.142 2.429) 4.500 16.043 ( 3.256 -0.276 2.198) 3.939 16.122 ( 3.425 5.388 1.673) 6.600 16.496 ( -1.865 -0.852 -1.106) 2.330 17.090 ( -4.472 -4.934 -3.153) 7.368 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -7.998 1.525 7.791) 11.269 1.628 ( -10.749 8.396 1.528) 13.725 2.126 ( 2.246 -6.849 -6.473) 9.688 2.922 ( 1.380 1.145 0.690) 1.922 3.001 ( 1.397 4.165 -0.120) 4.395 3.361 ( 9.832 -5.084 4.797) 12.064 4.168 ( 1.549 6.136 2.609) 6.846 4.567 ( -4.553 -9.577 -4.308) 11.446 4.791 ( 0.983 -1.989 4.178) 4.731 5.763 ( -2.627 2.619 0.209) 3.716 5.924 ( -1.567 -4.460 -4.391) 6.452 6.114 ( -8.929 -6.244 -12.165) 16.331 6.302 ( -6.042 1.329 1.927) 6.480 6.674 ( 4.148 4.061 0.188) 5.807 6.845 ( -2.040 -2.455 2.389) 3.987 9.302 ( 9.663 -1.655 -0.220) 9.806 9.582 ( 0.849 9.310 9.914) 13.627 10.617 ( -1.049 -9.209 -8.659) 12.684 15.202 ( -4.179 0.409 -0.481) 4.227 15.774 ( 4.830 2.939 3.255) 6.524 16.106 ( 3.114 0.037 1.529) 3.469 16.250 ( 3.450 6.326 3.167) 7.871 16.450 ( -1.911 -0.865 -1.085) 2.361 16.929 ( -5.745 -6.644 -4.448) 9.845 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -8.795 3.779 4.665) 10.649 1.537 ( -9.411 4.048 4.049) 11.016 2.067 ( 2.607 -6.382 -6.132) 9.227 2.936 ( 0.283 0.164 -1.039) 1.090 3.082 ( 3.348 3.771 0.922) 5.127 3.521 ( 9.634 -1.898 4.828) 10.942 4.247 ( 0.325 2.590 2.363) 3.521 4.413 ( -2.326 -4.465 -4.279) 6.607 4.783 ( -2.106 -3.327 4.315) 5.842 5.706 ( -5.519 -3.356 0.130) 6.460 5.835 ( 0.003 -4.915 -6.384) 8.057 5.914 ( -3.321 1.729 -7.687) 8.551 6.222 ( -6.432 1.923 1.308) 6.840 6.664 ( -4.555 -2.620 1.352) 5.426 6.923 ( 5.961 3.824 2.268) 7.436 9.435 ( 8.121 -0.248 -1.331) 8.233 9.703 ( -0.574 5.188 7.747) 9.342 10.473 ( -0.611 -8.016 -7.341) 10.887 15.141 ( -3.337 0.331 -0.440) 3.382 15.914 ( 6.265 3.169 3.713) 7.942 16.159 ( 2.366 0.324 0.807) 2.521 16.373 ( 0.959 6.870 3.979) 7.997 16.408 ( -1.850 -0.508 -0.683) 2.036 16.741 ( -4.719 -8.243 -5.706) 11.080 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -5.846 3.577 1.263) 6.969 1.461 ( -5.333 0.633 4.187) 6.810 2.021 ( 1.492 -3.966 -3.856) 5.729 2.931 ( -0.061 0.001 -0.971) 0.973 3.174 ( 3.253 2.418 0.674) 4.109 3.668 ( 6.072 -0.238 3.262) 6.897 4.228 ( -1.260 -2.797 -1.206) 3.296 4.381 ( -0.022 1.764 -0.536) 1.843 4.729 ( -3.052 -2.293 2.896) 4.791 5.575 ( -4.165 -3.767 -0.975) 5.700 5.766 ( 0.579 -2.992 -4.807) 5.691 5.902 ( 0.196 2.598 -1.729) 3.127 6.160 ( -4.021 2.450 0.087) 4.709 6.573 ( -3.672 -2.646 1.272) 4.701 7.049 ( 3.755 2.572 1.377) 4.755 9.533 ( 4.597 0.309 -1.130) 4.744 9.758 ( -0.815 2.016 4.112) 4.651 10.372 ( -0.195 -4.647 -4.084) 6.190 15.099 ( -1.835 0.178 -0.259) 1.861 16.076 ( 7.642 2.655 3.638) 8.870 16.196 ( 1.328 0.401 0.213) 1.404 16.367 ( -3.242 0.183 -0.555) 3.294 16.423 ( -5.753 5.501 3.048) 8.524 16.593 ( 1.696 -7.788 -5.127) 9.477 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -0.000 0.000 0.000) 0.000 1.433 ( -0.000 0.000 0.000) 0.000 2.002 ( -0.000 0.000 0.000) 0.000 2.927 ( -0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 -0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 5.519 ( -0.000 0.000 0.000) 0.000 5.743 ( 0.000 -0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 6.140 ( -0.000 0.000 0.000) 0.000 6.531 ( -0.000 0.000 0.000) 0.000 7.097 ( -0.000 0.000 0.000) 0.000 9.569 ( -0.000 0.000 0.000) 0.000 9.772 ( 0.000 0.000 0.000) 0.000 10.336 ( -0.000 0.000 0.000) 0.000 15.084 ( 0.000 0.000 0.000) 0.000 16.209 ( 0.000 0.000 -0.000) 0.000 16.228 ( -0.000 0.000 0.000) 0.000 16.272 ( 0.000 -0.000 0.000) 0.000 16.395 ( 0.000 0.000 -0.000) 0.000 16.574 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( -0.000 0.000 20.194) 20.194 0.362 ( -0.000 0.000 20.194) 20.194 0.557 ( -0.000 0.000 30.909) 30.909 3.071 ( 0.000 -0.000 -2.079) 2.079 3.071 ( 0.000 -0.000 -2.079) 2.079 3.834 ( -0.000 0.000 3.901) 3.901 3.834 ( -0.000 0.000 3.901) 3.901 4.467 ( 0.000 -0.000 -3.918) 3.918 5.338 ( -0.000 0.000 2.471) 2.471 5.682 ( -0.000 0.000 2.018) 2.018 5.682 ( -0.000 0.000 2.018) 2.018 6.339 ( -0.000 0.000 0.558) 0.558 6.801 ( 0.000 -0.000 -2.413) 2.413 6.801 ( 0.000 -0.000 -2.413) 2.413 6.925 ( 0.000 -0.000 -2.915) 2.915 9.343 ( 0.000 -0.000 -2.167) 2.167 9.343 ( 0.000 -0.000 -2.167) 2.167 11.383 ( -0.000 0.000 0.390) 0.390 15.078 ( -0.000 0.000 1.972) 1.972 15.078 ( -0.000 0.000 1.972) 1.972 16.090 ( 0.000 -0.000 -0.851) 0.851 16.090 ( 0.000 -0.000 -0.851) 0.851 16.464 ( -0.000 0.000 0.847) 0.847 17.556 ( 0.000 -0.000 -0.671) 0.671 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 6.227 5.262 11.685) 14.247 0.696 ( 12.548 4.567 17.870) 22.308 0.867 ( 9.168 5.785 26.619) 28.742 3.019 ( -2.305 -1.150 -2.338) 3.479 3.058 ( -1.227 -0.517 -1.556) 2.048 3.832 ( -0.532 1.254 2.118) 2.518 4.009 ( 9.398 4.048 4.122) 11.031 4.393 ( -4.061 -2.494 -4.140) 6.313 5.329 ( -2.107 -0.977 2.622) 3.502 5.476 ( -10.460 -9.477 11.366) 18.122 5.741 ( 0.980 7.113 3.050) 7.801 6.327 ( 0.598 -6.087 -1.765) 6.366 6.779 ( -0.330 0.669 -4.316) 4.380 6.826 ( -0.311 3.005 -1.147) 3.231 6.899 ( 1.772 -0.014 -4.143) 4.506 9.267 ( -4.126 2.490 -5.624) 7.406 9.460 ( 3.786 1.055 3.116) 5.016 11.256 ( -5.769 -6.939 0.309) 9.029 15.082 ( 0.562 0.753 1.146) 1.482 15.147 ( 3.834 1.254 3.739) 5.500 16.072 ( 0.077 -1.218 -1.811) 2.183 16.122 ( 1.057 0.848 -0.089) 1.358 16.475 ( 0.435 0.322 0.854) 1.011 17.477 ( -5.156 -1.285 0.398) 5.329 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 14.630 10.259 2.250) 18.009 1.039 ( 10.965 6.460 15.199) 19.824 1.234 ( 12.598 3.533 22.445) 25.980 2.965 ( -1.457 -0.957 -1.674) 2.417 3.013 ( -2.622 -0.464 -1.151) 2.901 3.846 ( 0.443 -1.554 0.841) 1.822 4.118 ( -6.551 1.721 0.715) 6.811 4.356 ( 7.192 0.749 2.078) 7.523 5.274 ( -5.493 -1.265 2.229) 6.061 5.378 ( -0.825 -4.172 6.484) 7.754 5.871 ( 3.373 8.540 3.077) 9.684 6.245 ( 0.472 -9.601 -2.541) 9.943 6.699 ( -5.444 -1.066 -4.107) 6.902 6.844 ( 0.271 4.179 -2.524) 4.889 6.948 ( 4.311 1.601 -2.702) 5.333 9.192 ( -4.199 4.212 -7.431) 9.518 9.490 ( -3.894 -2.619 11.070) 12.024 11.114 ( -1.829 -7.454 -5.128) 9.230 15.120 ( 2.004 1.759 0.494) 2.712 15.261 ( 5.277 1.503 4.733) 7.247 16.048 ( 0.227 -1.594 -2.580) 3.041 16.129 ( -0.991 -0.651 2.477) 2.746 16.492 ( 0.594 0.580 0.364) 0.907 17.393 ( -4.428 0.325 -1.493) 4.685 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 15.998 11.072 -1.118) 19.487 1.331 ( 6.436 7.907 12.280) 15.960 1.602 ( 15.834 0.178 18.118) 24.063 2.933 ( -1.995 0.220 -0.695) 2.124 2.958 ( -1.540 -0.855 -1.614) 2.389 3.766 ( -6.062 -8.447 -1.644) 10.526 4.004 ( -6.702 4.347 1.154) 8.071 4.545 ( 8.061 1.950 6.181) 10.343 5.180 ( -5.786 -0.130 0.593) 5.818 5.417 ( 4.996 -0.904 2.110) 5.498 6.026 ( 4.212 7.172 1.438) 8.441 6.144 ( 0.738 -10.196 -3.210) 10.715 6.568 ( -6.348 -0.605 -3.329) 7.193 6.873 ( -0.244 5.099 -3.201) 6.026 7.016 ( 3.631 1.353 -1.196) 4.055 9.127 ( -3.339 4.336 -6.824) 8.747 9.427 ( -8.459 -5.202 14.461) 17.542 10.997 ( 0.387 -6.592 -8.308) 10.613 15.180 ( 2.788 2.315 0.131) 3.626 15.392 ( 5.603 1.391 4.458) 7.295 16.020 ( 0.216 -1.684 -2.813) 3.286 16.112 ( -2.388 -1.378 4.506) 5.283 16.508 ( 0.604 0.771 -0.365) 1.045 17.320 ( -3.720 0.788 -2.652) 4.636 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 13.175 8.471 -1.446) 15.730 1.537 ( 3.444 6.807 8.467) 11.397 1.952 ( 15.787 -0.338 12.828) 20.345 2.863 ( -5.097 -0.279 -1.955) 5.467 2.952 ( 1.093 0.041 -0.810) 1.361 3.527 ( -10.439 -8.244 -1.356) 13.371 3.985 ( -2.775 3.310 2.581) 5.032 4.676 ( 2.965 -1.262 4.845) 5.818 5.109 ( -3.852 2.562 -0.951) 4.723 5.543 ( 9.179 1.318 0.421) 9.283 6.045 ( 0.514 -9.070 -2.991) 9.564 6.123 ( 1.431 2.970 -2.597) 4.197 6.475 ( -2.703 1.135 -1.579) 3.330 6.883 ( -2.405 5.591 -3.647) 7.095 7.077 ( 2.707 1.665 -0.366) 3.199 9.092 ( -1.158 2.755 -3.205) 4.382 9.305 ( -10.154 -5.898 13.672) 18.023 10.909 ( 1.516 -4.487 -9.024) 10.191 15.250 ( 2.824 2.360 0.319) 3.694 15.507 ( 4.618 0.538 2.239) 5.160 15.995 ( 0.263 -1.124 -1.800) 2.139 16.082 ( -3.290 -1.629 5.715) 6.792 16.522 ( 0.606 0.882 -0.820) 1.348 17.258 ( -2.585 0.699 -3.189) 4.164 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 2.215 1.328 1.656) 3.068 1.710 ( 6.335 5.367 2.163) 8.580 2.225 ( 9.343 1.024 4.090) 10.250 2.758 ( -4.317 -1.011 -1.563) 4.701 2.967 ( 0.359 0.630 0.404) 0.830 3.310 ( -7.055 -5.489 0.666) 8.963 3.991 ( -1.774 1.872 3.351) 4.229 4.679 ( -0.733 -3.592 0.156) 3.670 5.090 ( -1.810 3.605 -1.394) 4.268 5.713 ( 8.393 1.749 -1.325) 8.675 5.968 ( 1.125 -6.113 -0.345) 6.225 6.108 ( -1.556 0.549 -3.081) 3.495 6.477 ( 2.342 0.710 -3.072) 3.927 6.853 ( -4.191 4.690 -4.633) 7.812 7.123 ( 0.526 2.704 -0.541) 2.807 9.107 ( 1.578 -2.040 4.520) 5.204 9.173 ( -8.564 -2.172 8.809) 12.477 10.858 ( 2.093 -1.515 -8.413) 8.801 15.315 ( 2.071 1.909 1.273) 3.091 15.562 ( 2.215 -1.273 -2.116) 3.317 15.994 ( 0.694 -0.016 0.587) 0.909 16.046 ( -3.650 -1.280 6.133) 7.251 16.535 ( 0.569 0.857 -0.749) 1.272 17.215 ( -0.878 0.519 -3.412) 3.561 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -2.148 -3.497 -1.232) 4.285 1.799 ( -0.299 -0.687 1.254) 1.461 2.224 ( -8.820 0.216 -7.556) 11.616 2.764 ( 4.460 -0.424 3.660) 5.785 2.989 ( 0.730 1.120 2.410) 2.756 3.228 ( 0.172 -0.720 1.470) 1.646 4.003 ( -0.936 0.781 4.099) 4.276 4.617 ( -1.210 -2.978 -3.926) 5.074 5.083 ( -1.160 1.788 -2.044) 2.953 5.744 ( -1.901 -1.111 -5.263) 5.705 5.994 ( 2.541 -1.916 2.830) 4.259 6.117 ( 4.417 2.143 1.009) 5.012 6.491 ( 2.341 -2.256 -5.091) 6.040 6.796 ( -2.626 3.658 -6.859) 8.205 7.129 ( -2.595 3.153 -1.177) 4.250 9.066 ( -4.603 -4.209 9.522) 11.382 9.197 ( 3.607 0.392 6.220) 7.200 10.850 ( 2.609 1.707 -7.451) 8.077 15.362 ( 0.415 0.860 2.916) 3.069 15.530 ( -0.586 -2.725 -5.906) 6.531 15.998 ( -0.900 -2.070 2.443) 3.326 16.040 ( -1.198 2.226 5.380) 5.944 16.545 ( 0.268 0.586 -0.499) 0.815 17.202 ( 1.184 0.568 -3.316) 3.567 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -4.754 -8.183 -5.374) 10.884 1.688 ( -10.546 -3.463 -2.817) 11.452 1.963 ( -14.695 -3.324 -4.253) 15.655 2.845 ( 3.440 -0.602 1.762) 3.912 3.016 ( -0.985 0.370 2.611) 2.814 3.344 ( 9.472 5.330 2.541) 11.162 4.023 ( -0.316 -0.183 4.763) 4.777 4.543 ( -1.694 -1.817 -6.036) 6.527 5.066 ( 0.038 0.100 -2.586) 2.588 5.633 ( -5.931 -2.068 -3.652) 7.266 6.006 ( -0.114 1.159 -1.191) 1.666 6.265 ( 6.809 1.668 5.055) 8.643 6.435 ( -0.718 -4.701 -5.066) 6.948 6.784 ( 3.242 2.757 -8.531) 9.533 7.089 ( -5.008 3.502 -1.497) 6.291 9.048 ( -0.923 -0.246 6.978) 7.043 9.305 ( 4.524 -2.485 9.610) 10.908 10.885 ( 3.384 4.269 -6.618) 8.572 15.372 ( -1.944 -1.092 4.395) 4.929 15.436 ( -2.712 -2.724 -7.175) 8.140 15.985 ( 0.046 -1.429 2.139) 2.573 16.079 ( -0.754 2.447 4.457) 5.140 16.545 ( -0.313 0.100 -0.522) 0.617 17.225 ( 2.962 0.922 -2.942) 4.275 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -6.876 -12.353 -8.678) 16.589 1.381 ( -18.802 -1.144 -9.742) 21.207 1.673 ( -15.008 -8.790 5.514) 18.246 2.897 ( 3.197 -0.560 0.434) 3.274 3.008 ( -1.761 0.754 2.263) 2.965 3.601 ( 11.684 7.213 2.173) 13.902 4.039 ( -0.566 -1.202 4.633) 4.820 4.452 ( -3.268 -1.521 -5.472) 6.553 5.068 ( 2.332 0.351 -3.011) 3.824 5.483 ( -7.008 -3.150 -2.525) 8.088 5.995 ( -1.842 1.682 -3.540) 4.331 6.304 ( -3.557 -2.843 2.944) 5.422 6.458 ( 9.504 -0.174 -2.005) 9.715 6.832 ( 5.489 0.945 -6.718) 8.727 7.023 ( -6.164 4.257 -1.876) 7.722 9.110 ( 2.030 2.660 6.273) 7.109 9.396 ( 3.118 -4.021 9.819) 11.060 10.955 ( 4.381 5.144 -6.275) 9.221 15.307 ( -3.237 -3.635 -5.408) 7.276 15.341 ( -4.586 -1.481 3.572) 5.999 16.003 ( 1.849 -0.496 1.665) 2.537 16.108 ( -1.149 1.917 3.424) 4.089 16.531 ( -0.860 -0.346 -0.697) 1.160 17.275 ( 3.774 1.418 -2.677) 4.840 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -8.368 -15.277 -10.038) 20.104 0.987 ( -21.179 0.198 -10.248) 23.529 1.367 ( -17.191 -11.747 10.947) 23.523 2.947 ( 3.421 -0.113 -0.189) 3.428 3.014 ( -0.541 1.750 2.466) 3.072 3.842 ( 8.556 5.380 1.073) 10.163 4.026 ( -2.176 -1.812 1.947) 3.437 4.361 ( -2.643 -1.204 -1.909) 3.476 5.113 ( 3.876 1.780 -2.930) 5.174 5.332 ( -5.800 -3.543 -1.323) 6.924 5.923 ( -5.059 -0.501 -2.994) 5.900 6.275 ( 0.851 -0.868 1.652) 2.051 6.599 ( 8.877 0.019 -1.985) 9.097 6.883 ( 4.092 -0.988 -3.089) 5.221 6.952 ( -6.172 5.283 -3.120) 8.703 9.227 ( 2.999 4.488 7.278) 9.061 9.442 ( 0.777 -4.085 7.897) 8.925 11.039 ( 5.302 3.893 -6.750) 9.425 15.190 ( -3.283 -2.449 -5.415) 6.790 15.265 ( -5.230 -2.861 4.659) 7.566 16.049 ( 2.702 -0.208 1.863) 3.289 16.119 ( -1.334 1.310 2.279) 2.948 16.506 ( -1.099 -0.548 -0.623) 1.377 17.334 ( 3.449 1.937 -2.812) 4.854 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -9.372 -15.609 -7.774) 19.796 0.604 ( -19.623 -0.670 -4.900) 20.237 1.032 ( -19.495 -12.683 15.096) 27.727 3.002 ( 3.404 0.531 -0.860) 3.551 3.049 ( 0.592 2.243 2.086) 3.119 3.942 ( -4.156 -0.848 4.575) 6.239 3.968 ( 1.110 -0.789 -4.662) 4.857 4.359 ( 2.958 1.392 0.210) 3.276 5.168 ( 1.086 1.049 0.892) 1.754 5.250 ( 0.036 -0.733 0.988) 1.231 5.810 ( -6.074 -1.083 -0.495) 6.190 6.317 ( 4.102 -0.782 -0.185) 4.180 6.711 ( 6.773 -0.496 -2.578) 7.264 6.876 ( -4.985 3.014 -0.803) 5.881 6.920 ( 1.701 0.898 -3.713) 4.182 9.361 ( 1.625 5.147 8.542) 10.105 9.441 ( -1.363 -2.972 4.677) 5.707 11.113 ( 6.094 1.202 -7.054) 9.399 15.101 ( -2.182 -1.369 -3.206) 4.113 15.182 ( -4.620 -2.996 3.996) 6.803 16.098 ( 2.281 -1.139 1.654) 3.039 16.120 ( -1.018 1.259 1.449) 2.173 16.481 ( -0.955 -0.494 -0.161) 1.087 17.386 ( 2.427 2.535 -2.641) 4.392 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 2.152 -0.338 17.783) 17.916 0.687 ( -2.430 2.169 20.489) 20.746 1.097 ( -0.174 16.838 23.558) 28.957 3.009 ( 0.163 -1.900 -2.474) 3.124 3.057 ( 0.083 0.389 -2.409) 2.442 3.883 ( 1.586 1.776 2.977) 3.812 3.983 ( -1.259 5.149 5.464) 7.613 4.379 ( -0.121 -2.530 -4.339) 5.025 5.338 ( 0.314 -3.649 2.810) 4.616 5.535 ( -4.518 -12.997 9.403) 16.665 5.757 ( 7.130 3.318 3.487) 8.602 6.323 ( -6.250 -2.652 -1.753) 7.012 6.728 ( 1.785 -1.858 -4.294) 5.008 6.788 ( 2.200 -1.184 -3.050) 3.942 6.874 ( -0.676 0.404 -3.744) 3.826 9.351 ( 8.233 6.567 -5.465) 11.865 9.433 ( -5.521 7.652 -1.207) 9.513 11.229 ( -2.713 -14.101 1.963) 14.493 15.075 ( 0.224 -1.154 1.726) 2.089 15.181 ( -0.654 5.365 4.348) 6.936 16.092 ( -2.759 1.598 -1.552) 3.546 16.108 ( 1.978 2.259 -1.308) 3.275 16.479 ( 0.074 0.147 0.976) 0.990 17.463 ( 1.279 -7.265 0.217) 7.380 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 6.087 6.999 11.500) 14.774 0.917 ( 12.490 -0.056 18.225) 22.094 1.385 ( 1.109 14.598 19.919) 24.720 2.967 ( -1.327 -1.491 -1.690) 2.616 3.037 ( -1.419 0.688 -2.295) 2.784 3.868 ( -3.239 -1.212 1.327) 3.704 4.166 ( 8.255 5.647 6.138) 11.735 4.303 ( -2.943 -1.070 -2.419) 3.957 5.308 ( -1.134 -5.212 2.501) 5.891 5.402 ( -4.105 -7.455 6.282) 10.578 5.922 ( 4.781 5.244 5.189) 8.791 6.157 ( -4.244 -7.194 -4.370) 9.427 6.688 ( -0.398 -4.704 -3.213) 5.710 6.825 ( 3.826 -1.921 -5.441) 6.923 6.875 ( 2.397 4.158 -1.860) 5.147 9.346 ( -8.734 11.349 -6.953) 15.919 9.538 ( 4.209 2.960 3.481) 6.213 11.025 ( -3.891 -15.713 -0.205) 16.189 15.094 ( 2.050 -0.735 1.390) 2.583 15.271 ( 1.376 6.056 5.073) 8.019 16.052 ( -2.425 1.475 -2.227) 3.608 16.142 ( 0.607 0.804 0.822) 1.300 16.489 ( 0.453 0.005 0.574) 0.731 17.405 ( -0.540 -5.343 -1.308) 5.528 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 11.793 10.667 3.899) 16.372 1.248 ( 15.144 0.208 14.941) 21.275 1.631 ( 1.996 9.620 16.401) 19.119 2.933 ( -0.440 -0.759 -0.875) 1.239 2.997 ( -2.875 0.827 -1.850) 3.517 3.771 ( -5.033 -6.588 -0.672) 8.318 4.185 ( -7.887 5.157 1.670) 9.571 4.443 ( 10.981 2.301 5.497) 12.494 5.225 ( -2.978 -6.309 1.051) 7.056 5.364 ( 1.313 -2.412 2.588) 3.774 6.016 ( 0.331 -9.260 -5.663) 10.859 6.063 ( 1.738 6.714 3.317) 7.688 6.597 ( -2.659 -4.043 -3.802) 6.154 6.848 ( 4.714 -1.602 -2.198) 5.442 6.951 ( 3.202 3.166 -2.289) 5.051 9.266 ( -8.706 11.520 -7.655) 16.343 9.589 ( -4.373 -1.577 11.830) 12.711 10.841 ( 0.519 -13.071 -6.281) 14.511 15.142 ( 3.441 -0.199 0.937) 3.572 15.387 ( 2.175 5.863 4.745) 7.850 16.018 ( -1.800 1.418 -2.273) 3.227 16.153 ( -0.856 -0.498 3.321) 3.466 16.499 ( 0.684 -0.103 -0.198) 0.720 17.334 ( -1.371 -3.722 -2.867) 4.894 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 12.960 10.406 -0.198) 16.622 1.548 ( 9.665 3.056 9.417) 13.836 1.840 ( 6.873 2.560 13.792) 15.621 2.926 ( -1.349 -0.168 -1.554) 2.065 2.940 ( -2.242 1.138 -0.518) 2.567 3.580 ( -8.074 -8.889 -1.355) 12.084 4.138 ( -6.894 6.321 3.915) 10.140 4.621 ( 5.664 -1.146 3.965) 7.008 5.137 ( -1.332 -4.440 -0.510) 4.664 5.423 ( 6.444 0.199 0.199) 6.450 5.920 ( 1.929 -7.108 -6.331) 9.713 6.136 ( -0.231 3.647 -0.293) 3.666 6.502 ( -2.564 -2.287 -2.880) 4.483 6.913 ( 3.469 1.582 -1.306) 4.030 7.007 ( 3.528 -0.111 -0.882) 3.639 9.197 ( -7.004 9.425 -5.350) 12.904 9.519 ( -10.483 -4.104 15.677) 19.300 10.730 ( 4.600 -9.035 -10.341) 14.482 15.209 ( 4.160 0.138 0.782) 4.235 15.491 ( 1.433 4.545 2.684) 5.470 15.999 ( -1.053 2.104 -1.189) 2.636 16.147 ( -2.080 -1.273 5.441) 5.962 16.508 ( 0.957 -0.059 -0.843) 1.276 17.260 ( -1.359 -3.005 -4.013) 5.194 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 7.971 6.052 -0.918) 10.050 1.703 ( 2.364 3.559 3.490) 5.517 2.079 ( 12.262 -0.751 8.920) 15.182 2.837 ( -6.195 1.011 -2.566) 6.781 2.965 ( 1.450 1.012 1.099) 2.082 3.363 ( -7.593 -8.031 0.235) 11.055 4.117 ( -5.856 5.411 4.863) 9.339 4.642 ( 0.167 -4.646 -0.990) 4.753 5.093 ( 0.453 -3.872 -0.393) 3.918 5.569 ( 9.804 2.177 -1.784) 10.200 5.876 ( 3.168 -3.912 -4.174) 6.539 6.130 ( -1.942 2.264 -2.816) 4.102 6.441 ( -0.681 -1.756 -3.250) 3.756 6.929 ( -2.887 3.610 -3.724) 5.936 7.075 ( 5.608 -2.336 1.633) 6.290 9.154 ( -4.348 3.406 0.768) 5.576 9.393 ( -11.556 -0.812 13.420) 17.729 10.693 ( 6.644 -5.321 -10.983) 13.895 15.284 ( 4.176 0.228 1.126) 4.331 15.535 ( -0.599 2.054 -0.875) 2.311 16.010 ( -0.538 2.815 0.574) 2.923 16.131 ( -2.853 -0.963 7.000) 7.620 16.521 ( 1.194 0.117 -0.871) 1.482 17.192 ( -0.369 -2.677 -4.793) 5.502 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -3.036 -1.501 -1.515) 3.710 1.787 ( 2.803 1.130 1.045) 3.198 2.246 ( 3.013 -0.088 -2.150) 3.703 2.758 ( -2.083 1.365 0.814) 2.620 3.006 ( 0.872 1.350 2.575) 3.035 3.222 ( -2.273 -5.069 2.144) 5.954 4.106 ( -4.745 4.157 5.318) 8.251 4.573 ( -0.703 -3.912 -4.657) 6.123 5.055 ( 0.768 -6.022 -0.888) 6.136 5.691 ( 4.186 1.720 -6.413) 7.849 5.926 ( 6.695 -0.179 1.263) 6.816 6.111 ( -1.046 3.363 -2.338) 4.227 6.401 ( 1.126 -2.296 -5.118) 5.721 6.859 ( -5.200 1.922 -5.064) 7.509 7.135 ( 2.692 -1.616 1.163) 3.348 9.107 ( -3.140 -6.590 8.212) 10.988 9.339 ( -6.993 8.452 8.877) 14.111 10.708 ( 7.430 -2.487 -10.401) 13.022 15.356 ( 3.371 0.035 1.794) 3.819 15.503 ( -2.616 -0.101 -3.425) 4.311 16.017 ( -1.660 0.011 1.704) 2.379 16.136 ( -2.251 2.404 6.956) 7.696 16.536 ( 0.962 0.195 -0.521) 1.111 17.148 ( 1.568 -2.138 -4.913) 5.583 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -7.260 -6.230 -4.294) 10.487 1.780 ( -4.387 -2.370 1.282) 5.148 2.122 ( -11.275 -0.838 -8.122) 13.921 2.805 ( 2.839 0.662 2.393) 3.772 3.043 ( 0.106 0.129 2.938) 2.943 3.249 ( 6.908 0.392 3.654) 7.825 4.106 ( -3.500 3.242 5.862) 7.558 4.507 ( -0.541 -1.350 -5.964) 6.139 5.001 ( 1.732 -7.642 -1.493) 7.977 5.670 ( -2.826 0.672 -6.235) 6.879 6.029 ( 1.746 4.047 -1.292) 4.593 6.163 ( 6.115 1.595 -0.983) 6.396 6.374 ( 1.124 -2.261 -3.748) 4.519 6.763 ( -3.230 1.025 -6.004) 6.894 7.143 ( -0.600 -0.927 0.325) 1.151 9.056 ( -0.241 -8.129 9.514) 12.516 9.404 ( -3.528 10.159 9.394) 14.280 10.758 ( 7.871 -0.671 -10.169) 12.877 15.401 ( 0.852 -0.808 -3.212) 3.420 15.425 ( -3.562 -0.913 1.628) 4.021 15.989 ( -1.503 -1.800 2.207) 3.221 16.169 ( -2.215 3.797 5.077) 6.716 16.544 ( 0.186 -0.017 -0.537) 0.568 17.149 ( 3.711 -0.979 -4.042) 5.574 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -9.929 -8.563 -5.700) 14.297 1.608 ( -14.252 -1.140 -3.068) 14.623 1.855 ( -13.663 -4.602 -1.594) 14.505 2.856 ( 2.042 0.195 1.103) 2.329 3.044 ( -0.868 -0.896 2.354) 2.665 3.459 ( 12.658 3.041 2.873) 13.332 4.119 ( -3.177 2.667 6.586) 7.783 4.450 ( -1.870 -0.182 -5.293) 5.616 4.971 ( 4.303 -6.040 -1.843) 7.641 5.554 ( -6.693 -1.019 -4.972) 8.400 6.053 ( -2.667 6.154 -3.468) 7.551 6.267 ( 6.469 -1.083 -7.355) 9.854 6.356 ( 0.580 -0.855 4.383) 4.503 6.734 ( 2.865 1.069 -5.588) 6.370 7.110 ( -2.797 -0.051 -0.298) 2.813 9.073 ( 4.141 -6.936 9.602) 12.548 9.499 ( -3.469 9.028 9.959) 13.882 10.824 ( 8.154 0.017 -10.772) 13.510 15.307 ( -3.878 -1.272 -6.106) 7.344 15.414 ( -2.834 -1.594 5.432) 6.331 15.977 ( 0.728 -1.626 2.027) 2.698 16.186 ( -2.554 2.716 3.049) 4.816 16.535 ( -0.542 -0.235 -0.836) 1.024 17.198 ( 4.812 0.560 -2.730) 5.561 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -12.179 -7.452 -4.037) 14.838 1.289 ( -20.591 2.242 -7.751) 22.115 1.587 ( -14.463 -8.619 7.647) 18.492 2.898 ( 2.486 0.326 0.337) 2.530 3.041 ( -0.134 -0.779 2.466) 2.590 3.699 ( 12.229 1.886 -0.276) 12.376 4.122 ( -4.489 2.195 6.896) 8.516 4.378 ( -2.895 -1.054 -3.102) 4.372 5.015 ( 6.591 -1.388 -1.358) 6.871 5.399 ( -7.091 -1.651 -3.241) 7.970 6.012 ( -5.690 3.273 -2.089) 6.889 6.250 ( 0.310 -0.661 -5.054) 5.107 6.461 ( 7.478 1.796 0.428) 7.703 6.786 ( 5.007 0.391 -3.209) 5.960 7.053 ( -4.052 0.832 -0.960) 4.247 9.167 ( 7.311 -6.157 10.482) 14.185 9.565 ( -4.750 6.908 8.572) 11.990 10.889 ( 8.072 0.263 -11.883) 14.368 15.201 ( -3.905 -0.599 -4.796) 6.214 15.358 ( -5.338 -2.375 5.185) 7.812 16.005 ( 2.668 -1.211 2.117) 3.615 16.175 ( -2.312 0.856 1.157) 2.723 16.516 ( -0.964 -0.145 -0.785) 1.252 17.274 ( 4.537 1.971 -1.865) 5.286 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -13.368 -0.122 3.070) 13.717 0.928 ( -21.714 3.789 -6.365) 22.942 1.311 ( -16.818 -9.608 13.463) 23.589 2.947 ( 3.050 0.357 -0.387) 3.095 3.054 ( 1.000 -0.916 1.714) 2.185 3.856 ( 7.193 -0.951 -3.180) 7.922 4.094 ( -6.580 2.685 6.830) 9.857 4.325 ( 0.252 -1.406 -1.212) 1.873 5.127 ( 6.307 2.292 0.745) 6.752 5.282 ( -4.201 -0.708 0.498) 4.290 5.925 ( -6.810 1.073 1.688) 7.098 6.232 ( 2.300 -0.675 -6.386) 6.821 6.604 ( 6.844 3.695 -0.808) 7.820 6.847 ( 3.900 -0.323 -1.337) 4.135 6.986 ( -4.635 1.553 -1.787) 5.205 9.302 ( 7.706 -5.694 11.133) 14.688 9.563 ( -5.559 1.471 4.472) 7.284 10.954 ( 7.693 2.105 -11.350) 13.872 15.121 ( -3.098 0.692 -2.786) 4.224 15.271 ( -5.998 -2.352 4.631) 7.934 16.055 ( 2.898 -1.193 2.061) 3.751 16.145 ( -1.428 -0.941 -0.240) 1.727 16.495 ( -1.091 0.097 -0.281) 1.131 17.353 ( 3.538 2.896 -1.433) 4.791 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -6.216 5.872 10.994) 13.928 0.956 ( -11.490 0.611 18.618) 21.887 1.416 ( -3.132 17.278 20.132) 26.714 2.968 ( 1.178 -0.902 -1.965) 2.462 3.023 ( 2.119 -0.754 -1.740) 2.843 3.893 ( 1.146 2.559 3.864) 4.774 4.078 ( -0.915 -3.441 -0.005) 3.560 4.352 ( -2.019 3.289 0.038) 3.859 5.284 ( 2.325 -6.866 2.675) 7.727 5.506 ( 4.057 -5.113 10.452) 12.323 5.751 ( -3.901 1.400 0.833) 4.227 6.370 ( -0.154 1.376 -1.716) 2.205 6.645 ( 1.409 -4.257 -7.584) 8.810 6.734 ( -2.027 -4.905 -2.895) 6.045 6.886 ( -2.613 0.924 -2.749) 3.904 9.221 ( 8.748 6.022 -6.130) 12.263 9.565 ( -1.418 2.553 5.626) 6.339 11.129 ( 0.824 -9.216 -2.699) 9.638 15.088 ( -1.753 -0.702 1.407) 2.355 15.293 ( -2.155 6.859 5.008) 8.762 16.086 ( 2.424 2.990 -2.331) 4.500 16.139 ( -1.430 1.079 0.349) 1.825 16.485 ( -0.303 -0.269 0.518) 0.658 17.358 ( 1.863 -7.976 -0.415) 8.202 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 2.506 4.748 15.273) 16.189 0.957 ( -2.588 2.424 17.686) 18.038 1.640 ( -1.779 14.830 16.441) 22.213 2.958 ( -0.194 -0.981 -1.406) 1.725 3.037 ( 0.793 0.846 -2.615) 2.861 3.909 ( -2.769 -3.035 0.521) 4.141 4.112 ( 6.206 2.788 4.494) 8.154 4.352 ( -2.059 3.266 0.257) 3.869 5.255 ( 1.127 -9.075 2.854) 9.580 5.461 ( -6.135 -5.814 7.440) 11.260 5.842 ( 8.298 0.642 2.590) 8.717 6.205 ( -9.122 -5.021 -4.949) 11.529 6.641 ( -1.252 -3.752 -1.473) 4.221 6.678 ( 6.103 -2.620 -7.711) 10.177 6.875 ( 1.096 2.639 -1.599) 3.274 9.422 ( 9.206 7.394 -5.184) 12.896 9.570 ( -4.545 7.281 -0.118) 8.584 10.959 ( -5.323 -15.771 0.671) 16.659 15.076 ( 0.131 -0.843 1.541) 1.762 15.372 ( -0.969 8.406 5.801) 10.259 16.110 ( -3.301 2.396 -1.708) 4.422 16.137 ( 1.713 2.158 -0.658) 2.833 16.483 ( 0.255 -0.729 0.263) 0.816 17.311 ( 2.370 -8.602 -0.794) 8.958 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 5.560 7.689 11.061) 14.573 1.135 ( 9.386 1.564 15.531) 18.214 1.814 ( -1.819 10.122 12.142) 15.912 2.933 ( -0.871 -0.635 -0.512) 1.193 3.031 ( -1.194 1.809 -2.460) 3.279 3.795 ( -5.263 -5.933 -0.971) 7.990 4.314 ( 8.950 2.103 4.492) 10.233 4.352 ( -2.522 5.938 2.772) 7.022 5.179 ( -0.593 -11.039 1.804) 11.202 5.372 ( -3.440 -2.375 3.654) 5.552 5.894 ( 0.487 -8.194 -4.889) 9.554 6.104 ( 1.634 2.921 1.273) 3.581 6.563 ( -1.610 -4.856 -1.433) 5.313 6.701 ( 6.116 -4.263 -5.498) 9.263 6.938 ( 2.514 4.700 -1.667) 5.584 9.468 ( -6.990 8.570 -4.902) 12.097 9.645 ( 3.776 5.188 1.347) 6.557 10.717 ( -5.160 -16.175 -0.211) 16.980 15.095 ( 2.129 -0.748 1.331) 2.620 15.479 ( -0.525 9.018 5.804) 10.737 16.068 ( -3.223 2.908 -2.202) 4.867 16.171 ( 0.519 0.657 1.644) 1.845 16.481 ( 0.625 -1.059 -0.317) 1.270 17.260 ( 1.734 -7.578 -2.461) 8.154 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 9.085 9.508 3.814) 13.692 1.428 ( 13.523 1.165 13.147) 18.896 1.912 ( -1.597 4.141 8.162) 9.291 2.922 ( 0.022 -0.003 0.383) 0.384 3.002 ( -3.065 2.113 -1.896) 4.178 3.625 ( -7.502 -6.939 -0.947) 10.262 4.331 ( -5.855 6.030 3.509) 9.108 4.523 ( 7.907 -0.306 3.337) 8.587 5.075 ( 0.116 -10.027 0.173) 10.029 5.355 ( 1.553 -0.520 1.136) 1.993 5.787 ( 1.325 -6.276 -7.438) 9.821 6.169 ( 0.707 2.196 -0.038) 2.307 6.487 ( -1.637 -3.990 -1.331) 4.513 6.766 ( 9.563 -4.572 -0.442) 10.609 6.997 ( 0.792 4.090 -2.455) 4.836 9.387 ( -8.691 8.277 -4.304) 12.751 9.709 ( -3.951 1.448 8.583) 9.559 10.522 ( 0.707 -12.432 -6.134) 13.881 15.144 ( 3.704 -0.675 1.081) 3.917 15.575 ( -1.645 8.147 4.058) 9.249 16.045 ( -1.877 3.743 -1.110) 4.332 16.187 ( -0.536 -0.574 3.992) 4.069 16.481 ( 1.057 -1.067 -0.919) 1.761 17.195 ( 0.816 -6.599 -4.136) 7.830 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 9.574 8.034 -0.424) 12.505 1.694 ( 7.366 2.495 6.244) 9.973 1.967 ( 4.285 -2.241 6.834) 8.371 2.923 ( -2.870 1.650 -1.147) 3.504 2.964 ( -0.798 1.237 0.581) 1.582 3.426 ( -8.586 -6.356 0.441) 10.692 4.305 ( -6.711 5.443 3.894) 9.478 4.578 ( 1.458 -4.762 -0.898) 5.061 5.011 ( 1.971 -8.718 0.332) 8.945 5.437 ( 7.365 2.348 -1.135) 7.813 5.748 ( 4.294 -3.039 -6.200) 8.131 6.171 ( -1.397 2.390 -2.477) 3.715 6.419 ( -1.437 -3.521 -1.724) 4.175 6.896 ( 9.193 -3.692 2.415) 10.197 7.004 ( -1.071 1.864 -3.086) 3.761 9.296 ( -8.128 3.484 0.116) 8.844 9.661 ( -10.226 2.589 11.354) 15.498 10.445 ( 7.197 -7.766 -10.674) 15.034 15.212 ( 4.647 -0.668 0.961) 4.792 15.610 ( -3.828 5.530 0.810) 6.774 16.064 ( -1.144 4.412 1.052) 4.677 16.195 ( -1.112 -0.548 5.919) 6.047 16.489 ( 1.695 -0.645 -1.018) 2.080 17.119 ( 0.714 -5.877 -5.480) 8.067 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 1.081 2.626 -1.611) 3.265 1.758 ( 1.094 0.506 -0.097) 1.209 2.122 ( 10.318 -2.135 3.303) 11.042 2.848 ( -6.040 2.699 -1.760) 6.845 3.002 ( 2.172 0.119 2.086) 3.014 3.260 ( -6.275 -4.228 3.119) 8.184 4.263 ( -5.832 3.185 2.902) 7.251 4.526 ( -0.823 -2.872 -2.251) 3.740 4.953 ( 1.472 -10.146 -0.500) 10.265 5.582 ( 7.499 3.860 -5.085) 9.848 5.800 ( 7.489 -0.440 -2.346) 7.860 6.161 ( -1.531 4.342 -2.675) 5.325 6.356 ( -0.867 -2.778 -2.501) 3.837 6.920 ( -4.024 0.106 -3.709) 5.474 7.037 ( 6.766 -4.160 2.378) 8.291 9.184 ( -7.376 -3.904 5.468) 9.977 9.614 ( -9.054 9.150 9.564) 16.037 10.462 ( 9.836 -5.262 -11.382) 15.937 15.288 ( 4.768 -0.711 0.690) 4.870 15.573 ( -5.225 3.032 -0.922) 6.111 16.071 ( -2.825 0.971 2.501) 3.896 16.225 ( -0.920 2.714 5.906) 6.565 16.511 ( 1.866 -0.128 -0.469) 1.928 17.054 ( 2.089 -4.765 -5.989) 7.933 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -8.464 -2.837 -2.448) 9.256 1.795 ( 1.262 -0.979 0.696) 1.743 2.184 ( -1.748 -1.043 -5.812) 6.158 2.808 ( -0.726 2.459 1.053) 2.771 3.039 ( 1.520 -1.660 1.572) 2.746 3.209 ( 0.313 -0.879 5.458) 5.537 4.225 ( -3.353 2.050 2.520) 4.669 4.491 ( -1.428 1.586 -1.632) 2.687 4.870 ( 1.868 -11.412 -1.306) 11.637 5.656 ( 1.759 3.021 -6.988) 7.814 5.935 ( 9.094 1.067 -1.653) 9.304 6.171 ( -1.389 6.017 -2.975) 6.854 6.324 ( 1.078 -0.768 -1.692) 2.149 6.806 ( -5.457 -1.388 -4.404) 7.149 7.099 ( 3.811 -4.196 2.282) 6.110 9.070 ( -4.503 -7.002 7.613) 11.281 9.651 ( -6.189 12.189 9.363) 16.570 10.517 ( 10.561 -4.123 -11.531) 16.170 15.348 ( 2.942 -0.536 -1.518) 3.354 15.505 ( -4.986 1.202 1.137) 5.253 16.030 ( -3.458 -1.394 2.966) 4.764 16.264 ( -1.902 3.344 3.891) 5.472 16.531 ( 0.942 -0.244 -0.433) 1.065 17.041 ( 4.575 -2.327 -4.695) 6.957 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -11.583 -2.545 -1.266) 11.927 1.754 ( -5.725 -2.446 1.976) 6.532 2.006 ( -11.638 -1.302 -7.946) 14.152 2.849 ( 1.020 1.807 1.398) 2.501 3.042 ( 0.570 -2.462 1.217) 2.805 3.314 ( 8.729 0.028 4.290) 9.726 4.227 ( -1.851 2.347 4.360) 5.286 4.474 ( -2.984 3.199 -1.707) 4.696 4.813 ( 4.934 -9.064 -1.098) 10.379 5.611 ( -4.317 0.807 -6.136) 7.546 6.076 ( 7.318 3.491 -3.271) 8.743 6.177 ( -1.873 5.718 -5.613) 8.228 6.354 ( 1.845 0.525 1.554) 2.469 6.700 ( -1.917 -1.260 -3.573) 4.246 7.111 ( 0.877 -3.574 1.750) 4.075 9.018 ( 0.547 -6.947 8.554) 11.033 9.725 ( -5.281 10.317 8.744) 14.518 10.586 ( 10.591 -2.776 -11.852) 16.135 15.328 ( -2.643 0.702 -5.497) 6.140 15.472 ( -2.193 -1.056 5.934) 6.414 15.985 ( -1.994 -1.691 2.668) 3.736 16.263 ( -2.881 1.219 1.348) 3.407 16.531 ( 0.138 -0.418 -0.944) 1.042 17.101 ( 6.003 0.611 -2.350) 6.475 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -13.500 1.865 2.885) 13.931 1.575 ( -15.573 1.283 -2.750) 15.866 1.756 ( -11.609 -5.161 0.614) 12.719 2.883 ( 0.790 1.601 0.677) 1.909 3.032 ( 0.456 -2.767 1.435) 3.150 3.503 ( 12.284 -0.823 0.608) 12.327 4.241 ( -2.447 0.352 6.144) 6.623 4.421 ( -4.721 1.471 -1.327) 5.120 4.872 ( 8.564 -1.316 0.190) 8.667 5.486 ( -6.980 0.345 -4.477) 8.299 6.124 ( -5.309 3.672 -2.486) 6.917 6.186 ( 3.679 2.104 -6.878) 8.079 6.409 ( 3.162 3.421 1.330) 4.844 6.701 ( 3.793 0.419 -1.542) 4.116 7.087 ( -1.203 -2.699 1.110) 3.156 9.061 ( 5.441 -6.266 9.980) 12.979 9.748 ( -5.718 3.726 4.968) 8.442 10.672 ( 9.909 0.729 -11.165) 14.945 15.247 ( -4.279 1.620 -4.617) 6.500 15.447 ( -3.983 -2.118 6.092) 7.581 15.977 ( 0.870 -1.267 2.519) 2.951 16.215 ( -2.798 -1.355 -0.821) 3.216 16.522 ( -0.348 0.137 -0.850) 0.929 17.203 ( 5.715 2.324 -1.006) 6.251 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -13.269 9.688 9.548) 19.003 1.276 ( -20.417 4.949 -6.101) 21.877 1.540 ( -12.412 -7.321 9.967) 17.521 2.916 ( 1.367 1.275 -0.061) 1.870 3.026 ( 1.094 -2.992 0.936) 3.321 3.680 ( 11.080 -1.518 -2.287) 11.415 4.213 ( -2.506 -4.856 5.077) 7.459 4.363 ( -5.018 4.130 1.473) 6.663 5.036 ( 8.627 3.227 1.853) 9.396 5.367 ( -5.974 1.536 -1.484) 6.345 6.042 ( -5.014 0.464 -0.151) 5.037 6.177 ( -0.846 0.881 -6.451) 6.566 6.539 ( 6.194 5.466 -1.035) 8.326 6.780 ( 4.336 2.199 0.206) 4.867 7.039 ( -2.606 -1.755 0.268) 3.153 9.184 ( 8.312 -5.643 11.796) 15.495 9.649 ( -6.501 -6.221 -1.794) 9.175 10.794 ( 8.814 6.074 -8.876) 13.905 15.178 ( -3.791 2.692 -2.802) 5.429 15.379 ( -5.957 -1.975 5.428) 8.298 16.012 ( 2.577 -1.033 2.494) 3.732 16.148 ( -1.832 -2.775 -1.725) 3.746 16.512 ( -0.814 0.589 -0.468) 1.108 17.305 ( 4.619 2.443 -0.956) 5.311 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -12.886 8.848 4.453) 16.253 1.244 ( -10.835 -0.100 15.458) 18.878 1.745 ( -4.891 15.657 16.029) 22.935 2.934 ( 1.425 -0.742 -0.976) 1.880 2.968 ( 2.004 -0.752 -1.682) 2.722 3.910 ( 9.233 -1.061 -0.426) 9.303 3.943 ( -0.287 -5.242 1.356) 5.422 4.513 ( -8.120 5.181 3.658) 10.304 5.173 ( 3.610 -9.000 2.301) 9.967 5.481 ( 2.508 2.690 4.680) 5.952 5.883 ( -9.370 0.314 0.645) 9.398 6.332 ( 7.038 5.184 -1.424) 8.856 6.521 ( 0.936 -8.042 -6.208) 10.203 6.721 ( -4.750 -5.211 -5.692) 9.062 6.934 ( -4.710 -1.157 -1.748) 5.155 9.128 ( 5.381 6.016 -5.037) 9.514 9.587 ( 5.003 -2.925 12.451) 13.733 11.009 ( 2.086 -4.179 -8.353) 9.570 15.132 ( -3.260 -0.306 1.170) 3.477 15.425 ( -2.110 7.342 4.671) 8.954 16.058 ( 2.676 3.354 -2.862) 5.157 16.158 ( 0.901 -0.114 3.323) 3.445 16.490 ( -0.714 -0.661 -0.207) 0.995 17.262 ( 0.188 -7.245 -2.054) 7.533 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -4.560 7.648 10.495) 13.763 1.181 ( -8.831 0.947 16.641) 18.863 1.898 ( -3.359 12.692 11.979) 17.772 2.943 ( 0.509 0.063 -1.115) 1.227 2.997 ( 2.948 0.525 -1.830) 3.509 3.885 ( 0.715 -7.430 -1.428) 7.599 4.060 ( 6.054 3.639 3.859) 8.049 4.452 ( -5.525 3.656 2.079) 6.944 5.148 ( 2.406 -11.121 3.203) 11.821 5.554 ( -1.940 -1.203 7.762) 8.091 5.785 ( -1.384 1.523 -0.491) 2.116 6.248 ( -8.314 -8.318 -7.604) 14.005 6.498 ( 6.402 -3.657 -7.630) 10.610 6.638 ( -0.996 -0.727 -0.592) 1.368 6.873 ( -0.278 0.577 -1.045) 1.226 9.302 ( 9.544 9.070 -5.308) 14.196 9.672 ( -0.229 0.555 6.895) 6.921 10.891 ( -2.792 -10.783 -4.870) 12.157 15.093 ( -1.908 -0.628 1.512) 2.514 15.509 ( -1.058 9.316 5.467) 10.853 16.120 ( 2.401 3.318 -1.965) 4.543 16.171 ( -1.788 1.728 0.606) 2.559 16.472 ( -0.156 -1.343 -0.264) 1.378 17.186 ( 1.502 -9.335 -1.152) 9.525 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 2.749 6.159 13.330) 14.939 1.189 ( -2.659 1.928 14.510) 14.878 2.001 ( -3.174 7.906 7.156) 11.126 2.938 ( -0.384 -0.079 -0.495) 0.631 3.037 ( 1.278 2.544 -2.187) 3.590 3.800 ( -2.505 -5.880 -1.571) 6.581 4.226 ( 7.339 2.994 4.835) 9.284 4.441 ( -1.337 2.974 1.954) 3.802 5.074 ( 0.501 -13.027 1.997) 13.189 5.483 ( -8.055 -0.119 5.331) 9.660 5.800 ( 0.283 -5.097 -2.752) 5.800 6.068 ( 1.261 -3.525 -3.120) 4.873 6.497 ( 5.626 -5.466 -6.883) 10.436 6.591 ( -3.219 -1.957 -0.553) 3.808 6.927 ( 3.245 4.261 -0.706) 5.403 9.495 ( 7.355 5.919 -3.590) 10.100 9.687 ( -2.425 4.790 0.496) 5.392 10.680 ( -6.443 -13.408 -1.003) 14.909 15.080 ( -0.002 -0.626 1.547) 1.669 15.622 ( -0.927 10.676 5.844) 12.206 16.138 ( -3.174 2.806 -1.819) 4.611 16.174 ( 0.968 1.924 0.426) 2.195 16.457 ( 0.399 -1.719 -0.532) 1.843 17.125 ( 2.855 -9.680 -1.758) 10.244 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 3.644 6.792 8.938) 11.802 1.330 ( 8.602 1.072 12.795) 15.455 2.024 ( -3.630 2.586 2.847) 5.289 2.929 ( -0.413 0.009 0.445) 0.608 3.052 ( -1.390 3.449 -1.918) 4.184 3.677 ( -5.859 -4.397 -0.586) 7.349 4.384 ( 6.332 -0.357 2.488) 6.813 4.475 ( 0.317 3.251 2.353) 4.026 4.962 ( 0.494 -12.572 0.381) 12.587 5.401 ( -5.443 1.304 3.560) 6.633 5.686 ( -1.098 -5.699 -6.321) 8.582 6.120 ( 5.191 -2.506 0.305) 5.772 6.499 ( -3.637 -1.844 0.640) 4.127 6.547 ( 9.730 -5.302 -4.347) 11.903 7.006 ( 1.647 4.340 -1.361) 4.837 9.544 ( -4.507 3.017 -0.264) 5.430 9.749 ( 3.948 5.962 -2.124) 7.459 10.444 ( -6.849 -11.993 -0.659) 13.827 15.099 ( 1.910 -0.630 1.511) 2.515 15.728 ( -2.793 10.740 4.232) 11.877 16.109 ( -2.276 3.715 -0.871) 4.443 16.204 ( 0.426 0.289 2.282) 2.340 16.446 ( 0.829 -1.744 -0.791) 2.087 17.068 ( 2.651 -9.213 -3.491) 10.203 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 6.510 6.611 2.167) 9.528 1.588 ( 12.238 0.670 10.265) 15.987 1.974 ( -3.452 -2.132 0.447) 4.082 2.936 ( 0.597 0.169 1.214) 1.363 3.032 ( -3.700 3.241 -1.573) 5.164 3.527 ( -8.465 -2.904 0.982) 9.003 4.407 ( -0.918 -2.917 -2.041) 3.676 4.530 ( 1.045 0.573 2.811) 3.053 4.887 ( 2.532 -9.386 0.078) 9.722 5.394 ( 0.461 3.272 2.089) 3.910 5.626 ( 2.895 -2.523 -5.419) 6.642 6.154 ( 2.682 -1.799 -1.751) 3.674 6.418 ( -3.097 -2.940 -0.228) 4.276 6.685 ( 12.374 -4.200 0.879) 13.097 7.032 ( -1.227 2.564 -2.495) 3.783 9.459 ( -8.221 1.067 1.744) 8.471 9.841 ( 0.094 5.320 2.294) 5.794 10.257 ( -1.614 -8.218 -5.019) 9.764 15.146 ( 3.459 -0.682 1.528) 3.842 15.758 ( -5.962 7.975 -0.047) 9.957 16.137 ( -0.965 4.921 2.963) 5.825 16.226 ( 0.537 -0.051 3.772) 3.810 16.446 ( 1.627 -1.179 -0.851) 2.181 16.996 ( 2.048 -8.577 -5.320) 10.298 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 6.742 4.670 -1.373) 8.315 1.772 ( 0.259 1.016 1.343) 1.704 1.948 ( 7.878 -4.955 3.605) 9.980 2.954 ( -2.342 2.496 -0.563) 3.469 2.983 ( -1.695 -0.156 0.206) 1.715 3.376 ( -8.596 -1.365 3.057) 9.225 4.321 ( -2.091 -3.880 -4.297) 6.155 4.553 ( -1.412 1.348 4.348) 4.766 4.831 ( 1.023 -9.155 -1.509) 9.335 5.493 ( 5.293 5.320 -1.291) 7.615 5.668 ( 6.490 0.271 -2.881) 7.106 6.172 ( 2.034 0.131 -1.656) 2.626 6.348 ( -2.211 -1.827 -0.974) 3.029 6.843 ( 10.298 -5.052 2.666) 11.776 6.984 ( -3.561 0.063 -3.612) 5.073 9.323 ( -9.650 -3.003 4.446) 11.041 9.882 ( -5.930 9.387 6.507) 12.870 10.193 ( 7.126 -6.384 -9.728) 13.644 15.213 ( 4.343 -0.744 1.509) 4.657 15.703 ( -6.935 5.147 -2.291) 8.935 16.149 ( -3.391 0.080 4.641) 5.748 16.286 ( 0.809 4.067 4.078) 5.816 16.472 ( 2.495 -0.008 -0.199) 2.503 16.922 ( 2.796 -7.219 -6.330) 10.000 ======================= Grid point 205 (106/294) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -5.112 1.647 -0.598) 5.404 1.747 ( 2.029 -0.351 -1.039) 2.306 2.089 ( 8.100 -2.935 -0.834) 8.656 2.888 ( -5.236 3.236 -1.181) 6.267 2.997 ( 1.787 -2.082 1.205) 2.996 3.275 ( -5.132 -0.995 4.425) 6.849 4.253 ( -0.389 -0.622 -2.835) 2.928 4.571 ( -2.160 3.011 4.984) 6.211 4.733 ( -0.048 -10.109 -2.749) 10.476 5.605 ( 3.838 5.117 -4.732) 7.956 5.794 ( 8.627 2.328 -1.514) 9.063 6.207 ( 1.813 1.789 -0.308) 2.566 6.309 ( -0.750 1.047 -1.800) 2.213 6.850 ( -4.990 -3.483 -2.340) 6.520 6.979 ( 6.902 -4.413 1.478) 8.324 9.161 ( -8.677 -5.046 5.611) 11.499 9.919 ( -6.756 11.216 7.343) 15.011 10.228 ( 10.929 -5.166 -10.416) 15.957 15.283 ( 4.012 -0.659 0.868) 4.158 15.618 ( -6.494 3.306 -1.761) 7.497 16.102 ( -4.331 -1.998 4.584) 6.615 16.337 ( -1.321 2.919 2.173) 3.872 16.506 ( 1.413 -0.340 -0.267) 1.478 16.905 ( 5.731 -2.992 -4.616) 7.944 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -10.969 3.518 2.932) 11.887 1.773 ( 1.079 -2.057 0.537) 2.384 2.081 ( -3.676 -1.640 -7.012) 8.085 2.874 ( -0.411 3.203 0.973) 3.372 3.004 ( 1.159 -2.497 0.502) 2.798 3.247 ( 1.113 -2.652 3.389) 4.445 4.262 ( 0.789 1.842 0.559) 2.081 4.585 ( -5.142 4.077 1.167) 6.666 4.647 ( 4.574 -8.264 0.472) 9.457 5.636 ( -1.231 2.813 -5.104) 5.956 5.955 ( 8.616 4.555 -2.747) 10.126 6.241 ( -1.010 3.958 -2.114) 4.599 6.336 ( 2.456 3.059 -0.107) 3.925 6.715 ( -4.530 -3.899 -1.680) 6.208 7.040 ( 4.399 -4.831 2.191) 6.891 9.039 ( -4.564 -5.009 6.361) 9.294 9.930 ( -5.514 4.028 3.386) 7.622 10.330 ( 10.693 1.040 -7.408) 13.049 15.324 ( 1.067 0.244 -1.600) 1.939 15.548 ( -4.347 1.355 1.563) 4.814 16.037 ( -4.042 -2.276 3.988) 6.117 16.315 ( -3.129 -0.703 -0.735) 3.290 16.511 ( 0.943 -0.758 -0.933) 1.528 16.992 ( 7.196 1.662 -1.501) 7.537 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -12.556 8.080 7.250) 16.599 1.736 ( -4.441 -2.666 3.109) 6.041 1.895 ( -11.255 -0.153 -7.666) 13.619 2.907 ( -0.319 2.825 0.856) 2.969 2.996 ( 0.873 -3.212 0.344) 3.346 3.312 ( 8.862 -3.486 0.754) 9.553 4.271 ( -0.976 -3.542 2.195) 4.280 4.523 ( -3.983 2.053 0.442) 4.502 4.745 ( 7.677 2.813 2.750) 8.626 5.573 ( -5.389 2.271 -3.940) 7.051 6.100 ( 5.536 4.536 -6.384) 9.590 6.212 ( -3.635 1.168 -1.109) 3.975 6.414 ( 1.967 5.450 -0.932) 5.868 6.662 ( 1.402 -0.206 1.845) 2.327 7.058 ( 1.724 -4.488 2.098) 5.246 9.007 ( 1.169 -4.602 7.799) 9.131 9.840 ( -4.892 -5.962 -2.857) 8.224 10.498 ( 8.997 7.519 -4.158) 12.441 15.301 ( -2.807 2.032 -3.635) 5.022 15.519 ( -2.715 -0.773 4.793) 5.563 15.989 ( -1.936 -1.765 3.441) 4.325 16.230 ( -3.138 -3.495 -2.659) 5.398 16.518 ( 0.593 0.368 -0.636) 0.945 17.124 ( 6.515 3.071 -0.410) 7.215 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -11.945 12.211 11.018) 20.327 1.586 ( -15.474 3.769 -3.514) 16.310 1.695 ( -8.481 -3.461 4.605) 10.253 2.926 ( -0.396 2.259 -0.045) 2.294 2.978 ( 1.003 -3.987 0.139) 4.114 3.455 ( 12.170 -3.054 -1.545) 12.642 4.195 ( -1.996 -8.264 1.339) 8.607 4.508 ( -3.785 4.647 3.979) 7.194 4.946 ( 8.894 5.773 2.822) 10.973 5.482 ( -6.506 3.673 -1.922) 7.715 6.072 ( -2.778 -0.589 -7.453) 7.975 6.197 ( -1.039 1.276 -0.863) 1.858 6.491 ( 3.409 3.426 -1.982) 5.223 6.768 ( 4.103 7.150 3.978) 9.154 7.040 ( -0.263 -3.946 1.558) 4.250 9.080 ( 6.367 -4.589 10.009) 12.719 9.632 ( -5.876 -12.786 -7.354) 15.877 10.695 ( 7.773 10.051 -3.880) 13.285 15.251 ( -3.582 3.189 -2.888) 5.598 15.482 ( -4.494 -1.184 5.136) 6.926 15.988 ( 0.971 -1.238 3.311) 3.666 16.134 ( -2.019 -4.024 -2.765) 5.283 16.525 ( -0.177 0.882 -0.564) 1.062 17.242 ( 5.138 2.326 -0.826) 5.700 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -14.663 9.391 1.397) 17.468 1.473 ( -7.577 -0.270 11.614) 13.869 2.038 ( -5.306 11.499 10.349) 16.355 2.874 ( 3.447 -1.994 -0.887) 4.080 2.947 ( -0.169 0.769 -1.432) 1.634 3.655 ( 11.459 -8.361 -0.873) 14.212 3.975 ( -0.070 1.464 3.550) 3.841 4.691 ( -5.631 2.933 3.515) 7.257 5.041 ( 2.495 -9.519 -0.014) 9.841 5.541 ( -2.675 6.286 1.151) 6.928 6.017 ( -6.080 0.360 -3.704) 7.129 6.245 ( 8.354 5.377 0.484) 9.946 6.419 ( -0.937 -6.047 -3.836) 7.222 6.711 ( -5.519 -6.803 -7.167) 11.318 6.987 ( -5.037 -3.009 -0.883) 5.933 9.105 ( 2.323 7.130 -2.339) 7.855 9.507 ( 9.709 -5.824 15.616) 19.289 10.892 ( 1.419 -1.726 -11.578) 11.791 15.198 ( -4.064 -0.114 1.272) 4.260 15.540 ( -0.934 6.726 2.559) 7.257 16.032 ( 2.471 3.475 -2.042) 4.728 16.149 ( 2.642 -1.309 5.775) 6.484 16.495 ( -1.165 -0.794 -0.768) 1.605 17.193 ( -1.171 -5.848 -3.489) 6.910 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -10.410 9.033 5.593) 14.874 1.420 ( -8.304 0.221 13.840) 16.142 2.106 ( -3.385 7.424 5.666) 9.934 2.922 ( 2.663 0.576 0.059) 2.725 2.950 ( 1.453 1.051 -1.780) 2.527 3.722 ( 7.658 -9.008 -0.713) 11.845 4.056 ( 3.029 4.716 4.687) 7.306 4.595 ( -7.944 0.449 -0.003) 7.956 5.017 ( 3.491 -10.558 3.486) 11.654 5.590 ( 0.961 4.066 3.128) 5.219 5.892 ( -7.720 1.272 -2.130) 8.109 6.231 ( -7.140 -10.540 -10.118) 16.261 6.343 ( 3.143 -3.586 -3.237) 5.763 6.633 ( 2.190 2.011 -0.636) 3.041 6.888 ( -2.871 -2.178 -0.027) 3.604 9.241 ( 5.778 9.931 -3.445) 11.995 9.668 ( 5.283 -4.373 12.807) 14.528 10.792 ( -0.780 -6.336 -10.572) 12.350 15.141 ( -3.453 -0.559 1.627) 3.858 15.628 ( 0.496 8.823 3.212) 9.402 16.102 ( 2.599 4.119 -1.328) 5.048 16.203 ( 0.722 0.595 3.485) 3.609 16.463 ( -0.849 -1.545 -0.607) 1.865 17.085 ( -0.970 -8.627 -2.747) 9.106 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -3.374 6.784 9.315) 12.007 1.377 ( -7.405 0.372 14.067) 15.902 2.127 ( -2.502 3.024 0.800) 4.006 2.936 ( 0.186 0.273 -1.114) 1.162 3.017 ( 3.306 3.487 -0.534) 4.835 3.736 ( 3.095 -5.420 -0.605) 6.271 4.190 ( 4.494 3.577 4.701) 7.422 4.491 ( -3.344 -1.348 -0.134) 3.608 4.963 ( 0.080 -11.708 2.909) 12.064 5.638 ( -3.699 1.301 5.414) 6.684 5.787 ( -4.804 0.067 -2.281) 5.319 5.986 ( -2.014 -7.302 -7.680) 10.787 6.312 ( 3.884 -6.379 -5.980) 9.567 6.646 ( -3.642 -0.485 0.960) 3.798 6.904 ( 3.777 3.395 0.327) 5.089 9.412 ( 7.106 7.875 -3.404) 11.140 9.743 ( 0.473 -1.630 6.804) 7.013 10.635 ( -3.284 -8.787 -6.810) 11.592 15.101 ( -1.954 -0.607 1.727) 2.678 15.753 ( 1.159 10.479 3.475) 11.101 16.165 ( 1.194 2.581 0.475) 2.884 16.218 ( -2.185 2.925 0.240) 3.659 16.434 ( -0.205 -1.914 -0.529) 1.996 16.983 ( 1.341 -10.392 -2.050) 10.677 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 3.275 4.012 10.525) 11.731 1.366 ( -3.349 0.451 11.320) 11.814 2.090 ( -2.742 -0.525 -2.405) 3.685 2.933 ( 0.025 -0.011 -0.582) 0.582 3.087 ( 0.801 4.701 -0.979) 4.869 3.713 ( -1.770 -1.767 -0.001) 2.501 4.299 ( 4.224 -0.473 1.790) 4.612 4.473 ( 2.094 -1.874 1.414) 3.146 4.853 ( -0.994 -10.808 0.834) 10.886 5.573 ( -8.072 2.487 4.665) 9.649 5.652 ( -5.165 -3.914 -4.172) 7.707 5.991 ( 6.643 -3.484 0.406) 7.512 6.313 ( 8.262 -5.457 -6.413) 11.796 6.562 ( -4.935 -1.633 0.911) 5.277 7.006 ( 2.912 4.346 -0.081) 5.233 9.556 ( 4.766 3.082 -0.367) 5.688 9.753 ( -0.743 1.770 0.196) 1.930 10.452 ( -5.630 -7.879 -3.320) 10.237 15.089 ( -0.081 -0.627 1.823) 1.930 15.887 ( -0.291 11.814 1.762) 11.948 16.173 ( -2.396 2.484 -0.332) 3.467 16.221 ( -0.618 1.717 2.462) 3.064 16.416 ( 0.385 -1.792 -0.381) 1.872 16.908 ( 2.990 -10.785 -2.759) 11.527 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 1.126 3.174 5.308) 6.286 1.467 ( 9.246 -1.028 9.812) 13.521 2.009 ( -3.576 -2.071 -3.023) 5.120 2.934 ( 0.356 -0.182 0.392) 0.560 3.110 ( -2.431 4.460 -1.402) 5.270 3.644 ( -6.216 0.185 0.944) 6.290 4.322 ( 2.155 -5.618 -2.306) 6.444 4.514 ( 3.400 -2.039 2.158) 4.514 4.774 ( 1.432 -6.485 -0.643) 6.672 5.516 ( -6.602 4.958 5.734) 10.053 5.554 ( -0.200 -2.003 -3.382) 3.936 6.051 ( 4.960 -4.330 0.175) 6.586 6.382 ( 7.186 -6.785 -2.267) 10.140 6.510 ( 1.545 0.731 -0.078) 1.711 7.058 ( -0.295 2.582 -1.187) 2.857 9.580 ( -4.075 -1.464 3.949) 5.860 9.798 ( 5.153 3.067 -4.580) 7.545 10.281 ( -6.827 -3.393 -1.429) 7.757 15.108 ( 1.776 -0.705 2.021) 2.781 15.932 ( -6.222 9.382 -4.108) 11.985 16.210 ( 2.403 5.132 3.223) 6.519 16.236 ( -1.506 -0.130 5.116) 5.335 16.410 ( 0.962 -1.229 -0.060) 1.562 16.836 ( 2.899 -10.418 -4.526) 11.723 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 5.018 2.359 -0.033) 5.545 1.679 ( 11.907 -2.083 6.540) 13.744 1.913 ( -4.397 -1.344 -1.154) 4.740 2.947 ( 1.036 -0.541 1.112) 1.613 3.076 ( -4.979 3.351 -1.782) 6.261 3.529 ( -8.738 0.087 1.288) 8.833 4.264 ( 0.033 -4.616 -3.381) 5.722 4.556 ( 2.847 -4.428 3.594) 6.375 4.747 ( 1.125 -2.553 -3.766) 4.687 5.531 ( -2.022 7.059 3.956) 8.341 5.572 ( 4.353 0.949 -0.759) 4.520 6.088 ( 4.674 -4.046 0.302) 6.189 6.358 ( -0.698 -3.234 -0.467) 3.341 6.632 ( 11.023 -2.128 0.073) 11.226 7.027 ( -3.624 -0.063 -2.397) 4.345 9.473 ( -8.764 -3.163 4.164) 10.205 9.894 ( 7.996 0.132 -5.499) 9.705 10.167 ( -6.726 3.290 1.040) 7.560 15.155 ( 3.261 -0.834 2.284) 4.068 15.852 ( -7.687 6.119 -5.991) 11.508 16.222 ( -2.506 -2.279 5.283) 6.276 16.334 ( 1.415 5.822 4.179) 7.305 16.437 ( 2.466 1.485 0.982) 3.041 16.758 ( 3.288 -9.394 -5.887) 11.564 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 6.237 1.119 -2.796) 6.926 1.817 ( -5.378 4.093 2.209) 7.110 1.889 ( 10.896 -5.410 1.900) 12.313 2.960 ( 0.258 -1.841 0.898) 2.065 3.008 ( -5.019 3.674 -1.525) 6.404 3.387 ( -8.101 -2.097 0.781) 8.404 4.232 ( 0.625 0.635 -1.582) 1.815 4.553 ( 2.033 -8.859 2.693) 9.480 4.716 ( -1.664 2.311 -3.354) 4.399 5.609 ( 0.529 7.395 1.079) 7.492 5.689 ( 7.232 3.759 -0.241) 8.154 6.140 ( 5.353 -3.697 2.938) 7.138 6.328 ( -0.502 0.923 -1.781) 2.068 6.778 ( 9.275 -4.280 1.426) 10.314 6.922 ( -5.106 -2.270 -3.306) 6.493 9.306 ( -10.239 -3.533 3.437) 11.364 9.960 ( 7.297 -6.622 -8.080) 12.743 10.160 ( -4.068 11.672 5.305) 13.451 15.220 ( 3.976 -0.946 2.360) 4.719 15.745 ( -7.127 4.425 -5.606) 10.090 16.176 ( -3.821 -3.303 5.485) 7.456 16.387 ( -0.707 1.829 1.341) 2.375 16.486 ( 0.093 -0.097 -0.572) 0.588 16.751 ( 7.362 -2.112 -2.740) 8.134 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 2.788 0.586 -1.736) 3.336 1.774 ( -6.267 5.160 4.458) 9.261 2.001 ( 6.330 -3.463 -2.636) 7.681 2.924 ( -2.060 0.436 0.477) 2.159 2.992 ( -0.960 1.573 -0.270) 1.863 3.251 ( -4.440 -4.828 -0.206) 6.562 4.266 ( 1.074 1.942 0.492) 2.273 4.510 ( 2.395 -6.494 -0.635) 6.951 4.705 ( -2.349 3.908 0.662) 4.607 5.668 ( -1.156 5.285 -0.866) 5.479 5.858 ( 8.048 5.992 -1.342) 10.123 6.226 ( 4.720 -1.271 4.107) 6.384 6.342 ( 1.019 4.332 -2.382) 5.048 6.748 ( -5.408 -5.519 0.020) 7.727 6.912 ( 6.917 -3.308 -0.219) 7.670 9.139 ( -8.490 -2.894 3.141) 9.504 9.906 ( 2.009 -10.022 -7.364) 12.597 10.299 ( 1.697 13.572 4.479) 14.393 15.285 ( 3.271 -0.756 1.677) 3.753 15.646 ( -5.692 3.123 -3.866) 7.556 16.108 ( -4.336 -3.453 4.895) 7.394 16.343 ( -3.649 -3.000 -2.545) 5.366 16.478 ( 1.576 -0.774 -0.481) 1.820 16.890 ( 7.875 3.900 0.317) 8.793 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -4.068 2.691 2.567) 5.511 1.768 ( -3.192 3.085 4.367) 6.227 1.986 ( -3.625 1.052 -4.485) 5.862 2.926 ( 0.821 -0.604 1.074) 1.480 2.983 ( -1.451 1.271 -0.478) 1.987 3.176 ( 2.451 -5.353 -1.081) 5.986 4.248 ( -1.098 -6.557 0.725) 6.688 4.546 ( 2.684 4.111 -1.115) 5.034 4.738 ( 1.594 4.466 3.295) 5.774 5.663 ( -4.050 4.408 -0.948) 6.061 6.017 ( 6.313 4.919 -4.165) 9.022 6.253 ( -2.062 -0.990 -0.403) 2.323 6.427 ( 2.739 6.280 -1.294) 6.972 6.662 ( 0.272 -1.621 5.076) 5.336 6.976 ( 4.546 -3.781 0.739) 5.959 9.032 ( -3.865 -2.542 3.906) 6.054 9.758 ( -1.441 -13.166 -7.592) 15.267 10.493 ( 3.938 13.122 2.480) 13.923 15.320 ( 0.484 0.387 -0.289) 0.684 15.582 ( -3.194 1.502 -0.652) 3.589 16.039 ( -3.583 -2.913 4.236) 6.266 16.224 ( -3.474 -5.047 -3.504) 7.058 16.504 ( 1.415 0.590 0.021) 1.533 17.051 ( 6.595 4.394 0.293) 7.930 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -5.704 1.715 3.448) 6.882 1.752 ( -5.171 1.105 2.809) 5.987 1.895 ( -10.590 9.524 1.947) 14.375 2.916 ( 0.812 -4.301 -0.819) 4.453 2.968 ( -1.573 1.490 -0.284) 2.186 3.234 ( 9.630 -3.238 -1.161) 10.225 4.153 ( -1.823 -8.599 0.999) 8.846 4.594 ( -0.657 3.455 0.709) 3.587 4.898 ( 7.268 7.410 3.324) 10.899 5.621 ( -6.081 5.494 -0.051) 8.196 6.056 ( -1.041 0.514 -8.833) 8.909 6.194 ( -0.383 -2.439 0.448) 2.509 6.476 ( 0.681 3.188 -3.200) 4.568 6.809 ( 5.461 8.666 8.733) 13.461 6.996 ( 1.824 -3.931 0.769) 4.402 9.020 ( 2.225 -3.160 5.792) 6.963 9.531 ( -4.176 -15.153 -7.724) 17.514 10.685 ( 4.528 11.438 -0.556) 12.314 15.309 ( -2.058 1.993 -1.585) 3.274 15.554 ( -2.272 0.231 1.762) 2.884 16.000 ( -1.257 -2.115 4.385) 5.028 16.109 ( -2.354 -4.683 -3.012) 6.045 16.528 ( 0.556 0.986 -0.260) 1.161 17.179 ( 4.964 2.998 -0.672) 5.838 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -9.328 7.852 1.286) 12.261 1.626 ( -6.038 0.424 6.832) 9.127 2.215 ( -3.019 2.266 0.580) 3.819 2.800 ( 3.632 0.926 0.585) 3.793 2.956 ( -0.820 0.247 -0.232) 0.887 3.412 ( 9.348 -6.962 1.804) 11.795 4.008 ( 0.584 1.905 3.963) 4.435 4.757 ( 2.864 1.301 1.734) 3.592 4.945 ( -4.079 -9.610 -3.304) 10.950 5.678 ( -5.101 6.720 -1.104) 8.509 6.022 ( -0.846 -1.102 -4.720) 4.920 6.184 ( 7.660 5.791 2.302) 9.875 6.410 ( -4.863 -1.488 -4.484) 6.780 6.684 ( -4.830 -7.776 -7.504) 11.837 7.027 ( -4.400 -4.343 -0.217) 6.186 9.147 ( 0.537 5.924 0.236) 5.953 9.380 ( 10.843 -3.258 16.612) 20.103 10.798 ( -0.467 -1.644 -12.037) 12.158 15.273 ( -4.091 -0.157 1.930) 4.526 15.595 ( 1.460 4.888 -1.728) 5.386 16.028 ( 1.475 3.529 0.842) 3.916 16.119 ( 3.703 -2.170 6.851) 8.084 16.505 ( -1.554 -0.685 -0.974) 1.958 17.150 ( -2.181 -3.950 -4.420) 6.316 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -12.776 9.043 2.714) 15.887 1.602 ( -4.876 0.290 9.986) 11.117 2.179 ( -0.660 -1.811 -3.138) 3.683 2.888 ( 3.423 3.087 1.774) 4.939 2.946 ( -0.397 0.922 -1.172) 1.543 3.507 ( 9.263 -7.501 2.584) 12.196 4.088 ( 2.046 4.552 4.662) 6.829 4.691 ( -7.449 -4.735 -3.925) 9.660 4.884 ( 5.325 -6.623 2.904) 8.981 5.668 ( -2.940 6.308 -0.043) 6.960 5.947 ( -2.517 -1.576 -5.585) 6.325 6.199 ( -8.544 -8.963 -10.628) 16.319 6.312 ( -0.612 -0.063 2.473) 2.548 6.601 ( 3.425 2.520 -0.755) 4.319 6.920 ( -4.039 -3.757 0.857) 5.582 9.241 ( 3.684 7.130 -1.414) 8.149 9.602 ( 7.435 -2.794 15.742) 17.632 10.681 ( -0.752 -4.649 -13.265) 14.076 15.210 ( -4.403 -0.666 2.071) 4.911 15.679 ( 3.147 6.708 -1.400) 7.540 16.105 ( 2.071 4.192 1.962) 5.071 16.200 ( 3.043 -0.131 5.571) 6.349 16.465 ( -1.511 -1.254 -0.753) 2.103 17.026 ( -3.358 -6.749 -4.588) 8.824 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -9.225 7.036 5.014) 12.639 1.573 ( -6.801 -0.369 11.765) 13.595 2.126 ( 0.616 -3.661 -5.932) 6.998 2.927 ( 0.143 0.124 -1.276) 1.290 3.002 ( 3.279 4.745 0.969) 5.848 3.603 ( 7.712 -4.489 2.079) 9.162 4.199 ( 2.572 4.122 4.919) 6.914 4.508 ( -4.543 -6.391 -4.177) 8.884 4.897 ( 0.443 -6.819 3.973) 7.905 5.700 ( -0.555 4.068 2.255) 4.684 5.851 ( -3.205 -2.170 -6.638) 7.684 5.926 ( -5.869 -6.924 -8.475) 12.418 6.246 ( -4.255 -3.377 1.006) 5.525 6.693 ( -0.519 1.201 1.445) 1.949 6.879 ( 2.298 1.393 1.332) 2.999 9.371 ( 5.401 6.388 -1.685) 8.534 9.738 ( 2.748 -2.692 10.786) 11.452 10.543 ( -0.785 -5.929 -11.413) 12.885 15.150 ( -3.523 -0.762 2.038) 4.141 15.800 ( 4.436 7.918 -1.826) 9.258 16.181 ( 1.276 1.740 4.237) 4.755 16.275 ( 0.466 4.451 2.354) 5.057 16.426 ( -1.206 -1.582 -0.297) 2.011 16.877 ( -2.164 -9.465 -3.820) 10.433 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -3.222 3.359 6.589) 8.067 1.520 ( -6.888 -1.473 11.338) 13.348 2.063 ( 0.475 -3.631 -6.538) 7.493 2.923 ( 0.386 0.095 -1.613) 1.662 3.102 ( 2.658 4.935 0.258) 5.611 3.685 ( 4.153 -0.763 0.374) 4.239 4.272 ( 0.179 -0.334 2.425) 2.454 4.409 ( 1.620 -4.655 -0.902) 5.010 4.822 ( -3.597 -6.477 2.790) 7.917 5.650 ( -5.430 -4.622 -0.962) 7.195 5.758 ( -3.742 1.194 -1.348) 4.153 5.870 ( 4.893 -0.137 -1.825) 5.224 6.165 ( -0.927 -3.188 -1.476) 3.634 6.629 ( -4.860 -2.400 1.190) 5.549 6.992 ( 4.277 4.317 1.223) 6.199 9.503 ( 5.367 3.850 -0.186) 6.607 9.776 ( -0.595 -1.658 4.436) 4.773 10.418 ( -1.366 -4.847 -7.785) 9.272 15.110 ( -1.939 -0.791 2.083) 2.953 15.939 ( 4.920 8.743 -3.968) 10.788 16.220 ( -0.625 0.408 2.895) 2.990 16.315 ( -3.814 6.142 3.756) 8.148 16.399 ( -0.140 -1.236 0.198) 1.260 16.750 ( 1.197 -11.302 -2.920) 11.734 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 3.335 -0.962 6.721) 7.564 1.468 ( -4.245 -1.854 7.801) 9.073 2.004 ( -0.567 -1.514 -4.470) 4.754 2.924 ( 0.643 0.064 -0.816) 1.041 3.168 ( -0.070 4.441 -0.937) 4.539 3.711 ( -0.859 0.785 -1.725) 2.081 4.249 ( 0.029 -4.079 0.722) 4.142 4.431 ( 3.767 -3.496 1.304) 5.302 4.731 ( -2.278 -3.761 0.725) 4.456 5.542 ( -2.553 -2.445 -0.398) 3.557 5.711 ( -5.194 3.884 3.208) 7.236 5.945 ( 4.177 -2.649 1.686) 5.225 6.166 ( 6.656 -3.332 -2.983) 8.019 6.544 ( -3.505 -1.204 0.433) 3.732 7.073 ( 1.004 2.538 0.141) 2.733 9.598 ( 2.584 -0.673 3.295) 4.241 9.759 ( -0.861 0.247 -1.986) 2.178 10.324 ( -2.264 -0.849 -4.155) 4.807 15.099 ( -0.043 -0.879 2.302) 2.465 16.039 ( 0.060 8.463 -9.205) 12.505 16.212 ( -0.377 1.473 -0.507) 1.602 16.336 ( -2.106 1.840 8.833) 9.265 16.403 ( -0.446 0.812 3.464) 3.586 16.665 ( 2.788 -10.581 -3.738) 11.563 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 0.495 -2.305 2.682) 3.570 1.511 ( 8.585 -3.906 5.002) 10.676 1.970 ( -2.050 2.285 -0.661) 3.140 2.935 ( 0.779 -0.013 0.201) 0.805 3.165 ( -3.400 2.675 -1.612) 4.617 3.645 ( -5.619 -0.346 -3.532) 6.646 4.225 ( -0.158 -1.674 1.488) 2.246 4.463 ( 3.756 -5.345 1.892) 6.802 4.692 ( 0.669 -0.549 -2.885) 3.012 5.531 ( 1.800 1.424 0.616) 2.376 5.707 ( -5.016 6.398 7.009) 10.735 5.978 ( 3.755 -4.045 1.091) 5.626 6.243 ( 7.721 -6.023 -0.174) 9.794 6.524 ( 1.800 1.616 -1.311) 2.752 7.068 ( -2.729 -0.138 -1.147) 2.963 9.579 ( -4.943 -3.607 3.792) 7.199 9.760 ( 3.466 -0.229 -4.898) 6.005 10.290 ( -2.425 4.824 -0.356) 5.411 15.120 ( 1.806 -1.054 2.670) 3.392 15.978 ( -6.454 5.515 -10.145) 13.229 16.236 ( 0.892 -0.833 0.806) 1.462 16.375 ( 0.671 0.296 2.897) 2.988 16.470 ( 1.220 5.503 9.485) 11.034 16.584 ( 1.936 -9.440 -5.475) 11.083 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 4.807 -1.999 -2.418) 5.741 1.653 ( 11.625 -6.415 2.808) 13.571 1.972 ( -3.735 6.394 3.218) 8.074 2.947 ( 0.451 -0.457 0.600) 0.879 3.103 ( -4.572 1.112 -1.522) 4.945 3.492 ( -8.411 -2.115 -4.447) 9.747 4.238 ( 0.318 1.966 1.581) 2.542 4.460 ( 1.588 -6.632 2.103) 7.136 4.704 ( 2.172 2.412 -4.912) 5.887 5.627 ( 5.492 4.586 1.100) 7.238 5.743 ( -4.208 7.841 6.844) 11.226 6.026 ( 5.870 -4.466 3.743) 8.271 6.285 ( 4.086 -4.373 0.365) 5.996 6.612 ( 7.513 1.165 -1.719) 7.795 6.974 ( -5.735 -2.656 -1.999) 6.629 9.446 ( -8.714 -2.369 0.090) 9.031 9.777 ( 3.930 -4.898 -3.720) 7.299 10.333 ( -1.616 9.791 2.950) 10.353 15.167 ( 3.228 -1.288 3.044) 4.621 15.854 ( -6.676 3.802 -9.160) 11.956 16.218 ( -1.907 -3.543 3.437) 5.292 16.403 ( 0.763 0.316 1.712) 1.900 16.476 ( -1.435 -5.884 -5.452) 8.149 16.640 ( 6.160 5.460 5.941) 10.151 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 6.971 -2.147 -4.930) 8.804 1.778 ( 10.018 -7.530 -0.082) 12.533 2.009 ( -4.048 9.440 6.092) 11.942 2.940 ( -0.791 -1.169 0.356) 1.456 3.044 ( -2.616 0.776 -0.830) 2.853 3.302 ( -8.409 -2.763 -4.366) 9.869 4.259 ( 0.320 -2.465 0.254) 2.499 4.458 ( 1.373 1.611 2.352) 3.164 4.729 ( 1.228 2.306 -4.225) 4.968 5.751 ( 1.154 3.170 1.171) 3.571 5.815 ( 1.778 9.046 3.362) 9.813 6.142 ( 7.593 -1.336 7.371) 10.667 6.319 ( 3.598 -0.538 -0.592) 3.686 6.728 ( 5.671 -2.059 0.176) 6.036 6.833 ( -4.566 -2.757 -2.751) 6.001 9.275 ( -9.388 -0.972 -2.118) 9.673 9.736 ( 1.779 -9.710 -3.206) 10.380 10.448 ( -0.148 12.645 4.194) 13.323 15.231 ( 3.809 -1.444 3.149) 5.149 15.733 ( -5.625 2.748 -7.856) 10.045 16.157 ( -3.164 -4.390 3.048) 6.211 16.344 ( -3.324 -5.405 -3.687) 7.339 16.447 ( 1.852 0.100 0.984) 2.100 16.830 ( 6.503 6.510 3.538) 9.858 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 6.173 -2.707 -4.732) 8.236 1.822 ( 3.829 -5.301 -1.486) 6.706 2.087 ( -2.684 9.912 6.597) 12.206 2.911 ( -0.635 -2.476 -0.404) 2.588 3.014 ( -1.128 -1.121 0.041) 1.591 3.148 ( -5.011 0.020 -3.362) 6.034 4.200 ( -0.999 -7.693 0.367) 7.766 4.562 ( 2.207 8.917 0.586) 9.205 4.747 ( 2.133 1.702 -1.888) 3.319 5.770 ( -2.575 3.783 1.582) 4.842 5.950 ( 4.230 4.616 -0.308) 6.269 6.260 ( 1.015 0.375 0.804) 1.347 6.412 ( 5.310 3.212 1.738) 6.445 6.680 ( -1.287 -3.370 5.693) 6.740 6.864 ( 5.858 0.244 -2.148) 6.244 9.116 ( -7.162 -0.569 -2.733) 7.687 9.614 ( -1.319 -13.317 -2.818) 13.675 10.600 ( 1.032 12.903 3.165) 13.325 15.293 ( 3.007 -1.167 2.578) 4.129 15.637 ( -3.735 1.927 -6.011) 7.334 16.079 ( -2.905 -4.071 1.346) 5.179 16.219 ( -3.948 -5.342 -1.196) 6.750 16.487 ( 1.721 0.764 1.009) 2.136 17.003 ( 5.706 5.901 1.576) 8.359 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 3.052 -3.279 -2.820) 5.293 1.808 ( 0.123 -1.895 -1.271) 2.285 2.164 ( -4.824 10.803 6.311) 13.409 2.852 ( -0.354 -6.248 -2.661) 6.801 2.988 ( -0.535 -1.418 0.788) 1.708 3.126 ( 1.381 3.058 -1.026) 3.509 4.110 ( -1.502 -7.780 1.470) 8.059 4.626 ( -0.561 3.847 -2.713) 4.740 4.867 ( 7.200 6.841 1.702) 10.076 5.766 ( -3.944 4.760 1.580) 6.381 6.011 ( 1.099 0.967 -4.629) 4.855 6.199 ( -3.864 -4.051 -0.099) 5.599 6.471 ( 1.280 2.668 -4.125) 5.077 6.823 ( 7.536 2.673 11.315) 13.856 6.940 ( 3.543 3.154 -0.815) 4.813 9.014 ( -2.225 -1.639 -1.468) 3.130 9.426 ( -3.936 -13.962 -1.546) 14.589 10.743 ( 1.391 10.854 0.291) 10.946 15.329 ( 0.682 -0.061 1.245) 1.420 15.582 ( -1.274 1.070 -3.770) 4.121 16.017 ( -1.122 -3.221 1.008) 3.557 16.107 ( -3.985 -4.460 1.088) 6.079 16.524 ( 1.096 0.961 0.510) 1.544 17.135 ( 4.135 4.260 -0.199) 5.940 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 2.500 1.772 1.730) 3.519 1.794 ( -4.282 2.660 1.896) 5.386 2.155 ( 2.373 -7.836 -8.709) 11.953 2.816 ( 0.211 5.079 3.418) 6.126 2.978 ( -1.592 0.127 1.729) 2.354 3.261 ( 4.311 -4.340 3.027) 6.825 4.042 ( 0.924 2.722 4.450) 5.297 4.674 ( 5.821 -0.428 -2.233) 6.249 4.938 ( -6.809 -8.190 -4.402) 11.525 5.740 ( 0.622 0.915 -3.947) 4.099 6.068 ( -4.917 2.290 -0.706) 5.470 6.130 ( 6.472 6.484 4.590) 10.246 6.462 ( -4.869 2.327 -7.702) 9.404 6.631 ( -3.418 -7.418 -8.325) 11.663 7.040 ( -2.698 -5.369 -0.012) 6.009 9.126 ( 3.757 -5.468 4.488) 8.010 9.380 ( 4.740 10.713 14.051) 18.294 10.739 ( -3.220 -2.720 -10.781) 11.576 15.345 ( -3.198 -0.459 3.212) 4.556 15.562 ( 3.875 2.440 -5.606) 7.239 16.057 ( 0.568 1.634 4.413) 4.740 16.075 ( 3.944 -0.681 5.448) 6.760 16.519 ( -1.554 -0.549 -1.048) 1.953 17.138 ( -3.127 -1.904 -4.769) 6.012 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 0.121 2.170 4.599) 5.087 1.732 ( -9.542 5.479 2.384) 11.258 2.062 ( 2.545 -8.497 -9.352) 12.889 2.894 ( 1.718 3.601 2.120) 4.518 2.965 ( -1.212 1.203 0.460) 1.768 3.329 ( 7.410 -5.801 4.541) 10.448 4.129 ( 1.750 5.052 4.677) 7.104 4.700 ( -5.332 -10.945 -4.303) 12.913 4.766 ( 4.778 -0.357 -1.701) 5.085 5.737 ( -0.083 2.204 -2.935) 3.671 5.986 ( -6.819 1.683 -1.203) 7.126 6.199 ( -7.917 -7.550 -8.590) 13.909 6.344 ( 0.993 4.683 0.313) 4.797 6.568 ( 2.592 1.769 -0.995) 3.292 6.950 ( -3.280 -4.179 0.910) 5.390 9.187 ( 6.015 -2.501 2.123) 6.852 9.625 ( 3.422 7.816 14.224) 16.587 10.581 ( -2.538 -5.374 -12.842) 14.151 15.291 ( -4.656 -0.915 2.924) 5.574 15.636 ( 5.452 3.920 -5.269) 8.535 16.120 ( 2.408 -0.767 6.415) 6.894 16.183 ( 3.794 3.837 4.341) 6.926 16.478 ( -1.832 -0.739 -0.927) 2.182 17.013 ( -4.965 -4.240 -5.552) 8.571 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -11.759 6.128 2.405) 13.476 1.716 ( -3.491 0.442 7.807) 8.564 1.981 ( 4.010 -7.814 -9.334) 12.816 2.923 ( -0.392 -0.180 -0.360) 0.562 3.005 ( 2.419 4.157 0.455) 4.831 3.443 ( 8.984 -4.162 3.997) 10.677 4.236 ( 1.792 5.082 4.645) 7.114 4.485 ( -5.238 -8.608 -4.562) 11.061 4.833 ( 4.372 -2.964 0.555) 5.311 5.746 ( 0.481 0.961 -1.937) 2.215 5.853 ( -7.871 1.100 -8.095) 11.344 5.941 ( -7.556 -6.377 -2.344) 10.162 6.338 ( -5.104 0.530 1.785) 5.433 6.695 ( 4.383 3.975 2.070) 6.269 6.880 ( -1.199 -1.350 1.502) 2.348 9.294 ( 7.689 -0.587 1.049) 7.782 9.785 ( -0.251 4.537 11.038) 11.937 10.423 ( -0.438 -6.115 -12.813) 14.204 15.222 ( -4.621 -1.037 2.572) 5.390 15.744 ( 6.645 4.868 -5.658) 9.994 16.186 ( 2.395 -2.263 6.976) 7.715 16.313 ( 3.191 6.395 3.332) 7.885 16.440 ( -1.709 -0.429 -0.021) 1.762 16.841 ( -5.935 -6.281 -5.396) 10.188 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -9.412 3.369 2.289) 10.256 1.675 ( -6.622 -2.636 9.765) 12.090 1.941 ( 4.275 -4.253 -7.528) 9.645 2.909 ( -0.115 0.140 -1.828) 1.837 3.093 ( 3.594 3.369 0.350) 4.938 3.572 ( 8.194 -2.052 0.467) 8.460 4.308 ( -2.513 -1.379 4.200) 5.085 4.348 ( 0.554 -0.890 -2.537) 2.745 4.840 ( -0.828 -3.568 2.040) 4.192 5.645 ( -2.659 -5.283 -7.113) 9.251 5.796 ( -5.504 -4.273 2.241) 7.319 5.820 ( 1.409 5.501 -2.770) 6.318 6.256 ( -6.972 1.642 2.252) 7.508 6.688 ( -4.420 -2.777 1.557) 5.447 6.965 ( 5.163 4.208 2.305) 7.048 9.425 ( 7.661 -0.028 1.136) 7.745 9.833 ( -3.550 2.292 5.744) 7.131 10.316 ( 1.942 -4.587 -9.934) 11.113 15.160 ( -3.549 -1.059 2.422) 4.425 15.868 ( 7.284 5.311 -7.097) 11.473 16.232 ( 1.227 -2.222 5.521) 6.077 16.397 ( -0.296 -0.639 0.313) 0.770 16.453 ( 0.032 8.054 3.812) 8.911 16.653 ( -4.916 -8.590 -3.667) 10.555 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -4.033 -1.165 2.279) 4.777 1.580 ( -7.122 -4.999 8.680) 12.290 1.950 ( 3.202 0.273 -3.788) 4.968 2.906 ( 0.758 0.392 -1.747) 1.944 3.175 ( 2.730 2.454 -0.539) 3.710 3.654 ( 4.909 -1.101 -4.464) 6.726 4.252 ( -1.690 -2.156 3.155) 4.178 4.381 ( 0.705 0.831 0.764) 1.332 4.776 ( -4.474 -2.294 2.396) 5.569 5.557 ( -0.885 -2.562 -2.009) 3.374 5.718 ( 0.553 -4.380 0.727) 4.475 5.890 ( 2.857 2.623 0.115) 3.880 6.186 ( -6.228 3.906 2.542) 7.779 6.592 ( -4.333 -2.872 1.038) 5.301 7.074 ( 2.413 2.477 1.368) 3.719 9.541 ( 5.756 -1.137 2.066) 6.220 9.799 ( -4.421 1.387 0.097) 4.634 10.283 ( 2.763 -0.835 -5.476) 6.190 15.120 ( -1.873 -1.137 2.512) 3.333 15.982 ( 6.436 5.247 -9.878) 12.904 16.240 ( -1.387 -0.487 0.821) 1.684 16.373 ( -0.763 -1.999 1.109) 2.410 16.499 ( -2.327 -9.237 2.318) 9.804 16.553 ( -0.395 7.578 3.651) 8.421 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 2.394 -5.729 2.598) 6.730 1.470 ( -4.449 -5.891 4.462) 8.626 2.002 ( 1.826 4.171 -0.015) 4.553 2.919 ( 1.202 0.477 -0.871) 1.559 3.204 ( -0.472 0.443 -1.492) 1.627 3.651 ( -0.012 -0.460 -7.399) 7.413 4.250 ( -0.760 0.570 4.117) 4.226 4.390 ( 0.964 -1.725 0.185) 1.985 4.709 ( -3.508 0.104 1.636) 3.872 5.540 ( 0.133 0.991 1.906) 2.153 5.746 ( 5.902 -2.887 1.117) 6.664 5.943 ( 1.226 -0.811 2.968) 3.312 6.168 ( -2.765 4.138 2.987) 5.804 6.527 ( -1.391 -0.645 -0.520) 1.619 7.096 ( -1.425 -0.234 -0.004) 1.445 9.598 ( 1.270 -3.115 2.592) 4.247 9.734 ( -2.932 1.280 -4.027) 5.143 10.323 ( 2.730 3.833 -1.077) 4.827 15.109 ( 0.071 -1.325 2.806) 3.104 16.015 ( -0.421 3.484 -13.097) 13.559 16.211 ( 0.309 -0.107 -1.702) 1.733 16.364 ( 1.904 -4.528 2.560) 5.539 16.426 ( 0.470 -6.681 1.636) 6.895 16.632 ( -2.562 7.959 7.465) 11.208 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.927 -6.764 0.453) 6.842 1.438 ( 7.711 -7.623 1.012) 10.890 2.077 ( 0.458 5.968 2.185) 6.372 2.938 ( 0.887 0.305 -0.222) 0.964 3.152 ( -3.312 -2.051 -1.702) 4.251 3.564 ( -5.378 0.922 -7.385) 9.182 4.260 ( -0.924 -0.305 0.930) 1.347 4.405 ( 2.650 -1.257 2.121) 3.620 4.691 ( -1.100 2.916 -0.492) 3.155 5.605 ( 3.393 3.316 2.061) 5.172 5.849 ( 6.361 -0.512 4.201) 7.640 5.964 ( -0.023 -0.003 5.487) 5.487 6.192 ( 0.428 -0.053 3.792) 3.816 6.543 ( 3.094 2.813 -2.308) 4.777 7.027 ( -4.867 -2.706 -1.043) 5.666 9.533 ( -5.581 -1.197 -3.916) 6.922 9.698 ( 0.216 -2.964 -0.125) 2.974 10.425 ( 2.463 8.011 2.092) 8.638 15.130 ( 1.926 -1.610 3.211) 4.076 15.908 ( -4.440 0.738 -11.754) 12.586 16.213 ( 0.348 -2.176 -0.007) 2.203 16.354 ( 2.937 -6.817 -3.345) 8.142 16.409 ( 0.075 0.215 1.814) 1.828 16.722 ( -0.801 7.345 9.010) 11.652 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 5.516 -5.070 -4.739) 8.865 1.523 ( 11.286 -9.511 0.976) 14.791 2.145 ( -0.193 5.135 2.353) 5.651 2.943 ( -0.432 -0.355 -0.282) 0.626 3.062 ( -2.697 -3.529 -1.243) 4.612 3.423 ( -9.192 3.474 -5.525) 11.274 4.220 ( -0.641 -4.945 -0.783) 5.047 4.487 ( 3.306 4.577 3.479) 6.632 4.704 ( -0.122 3.470 -3.725) 5.093 5.699 ( 4.562 0.277 -0.438) 4.591 5.956 ( 0.224 3.994 6.723) 7.823 6.070 ( 6.565 3.900 8.738) 11.604 6.228 ( 3.390 -2.323 2.790) 4.967 6.633 ( 5.298 3.471 -2.286) 6.734 6.890 ( -6.707 -3.870 -1.317) 7.855 9.379 ( -7.818 0.581 -9.211) 12.096 9.653 ( -1.322 -7.889 3.678) 8.804 10.567 ( 1.962 10.960 3.208) 11.587 15.177 ( 3.314 -1.904 3.552) 5.218 15.773 ( -4.100 -0.403 -10.055) 10.866 16.166 ( -2.185 -3.957 -0.470) 4.545 16.302 ( -0.094 -4.507 -3.452) 5.678 16.437 ( 1.056 0.708 2.170) 2.515 16.852 ( 2.475 7.057 6.800) 10.108 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 8.354 -3.824 -7.039) 11.574 1.620 ( 10.638 -9.072 0.326) 13.985 2.195 ( 1.057 2.252 0.979) 2.673 2.900 ( -2.303 -2.864 -1.454) 3.953 3.008 ( -0.398 -2.298 0.460) 2.377 3.290 ( -9.642 7.067 -2.761) 12.269 4.150 ( -0.968 -6.756 0.616) 6.853 4.631 ( 4.198 8.952 2.609) 10.226 4.695 ( -0.277 1.524 -6.014) 6.211 5.748 ( 4.176 -3.032 -1.407) 5.349 6.029 ( -1.938 5.978 6.784) 9.248 6.234 ( 3.170 2.273 -1.045) 4.038 6.344 ( 7.644 1.322 8.051) 11.180 6.693 ( -0.139 -2.493 2.058) 3.235 6.804 ( 1.655 3.568 -1.492) 4.206 9.196 ( -7.583 0.580 -11.327) 13.644 9.549 ( -3.885 -11.179 5.738) 13.152 10.717 ( 1.044 11.776 2.396) 12.063 15.239 ( 3.886 -1.996 3.594) 5.657 15.656 ( -2.860 -0.711 -8.616) 9.106 16.079 ( -2.664 -3.283 -2.927) 5.142 16.230 ( -2.617 -4.551 1.087) 5.361 16.477 ( 1.462 0.837 1.824) 2.483 17.000 ( 3.714 6.645 3.708) 8.467 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 7.961 -3.169 -6.688) 10.870 1.698 ( 7.775 -6.270 0.190) 9.990 2.234 ( 3.759 -1.959 -1.749) 4.585 2.819 ( -2.918 -2.795 -0.769) 4.113 2.996 ( -0.448 -0.899 1.817) 2.076 3.221 ( -6.774 8.551 -0.531) 10.922 4.077 ( -1.306 -6.543 2.262) 7.045 4.652 ( -1.613 1.442 -5.932) 6.314 4.820 ( 7.123 8.701 0.961) 11.285 5.770 ( 3.641 -3.602 -2.086) 5.530 6.074 ( -4.246 6.128 4.654) 8.789 6.222 ( -3.091 -3.319 -2.024) 4.967 6.424 ( 2.745 -0.846 -2.402) 3.744 6.772 ( 5.408 0.989 5.163) 7.542 6.931 ( 5.761 8.079 3.539) 10.535 9.030 ( -4.717 -0.402 -9.077) 10.238 9.400 ( -5.568 -11.270 6.693) 14.241 10.835 ( -0.291 9.971 -0.043) 9.976 15.302 ( 3.237 -1.581 3.238) 4.844 15.570 ( -0.963 -0.576 -7.359) 7.444 16.001 ( -1.444 -2.099 -2.621) 3.656 16.149 ( -3.761 -4.477 3.788) 6.967 16.517 ( 1.321 0.810 1.238) 1.984 17.126 ( 2.832 5.458 0.996) 6.229 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 7.727 0.750 -2.399) 8.125 1.709 ( 8.589 -9.225 -7.346) 14.588 2.018 ( 4.547 -2.857 0.651) 5.409 2.874 ( -0.276 3.120 1.598) 3.517 3.021 ( -0.567 -0.837 2.530) 2.725 3.258 ( -5.728 0.077 3.070) 6.500 4.081 ( 1.337 3.469 4.615) 5.926 4.563 ( 4.533 -0.603 -4.566) 6.462 4.944 ( -6.406 -7.336 -4.875) 10.891 5.672 ( 4.467 -1.479 -1.740) 5.016 6.055 ( 4.545 4.233 -1.805) 6.468 6.254 ( -5.362 4.187 6.140) 9.164 6.482 ( 2.372 2.436 -5.222) 6.231 6.602 ( -8.875 -2.346 -12.831) 15.777 7.011 ( -0.606 -6.122 -0.218) 6.156 9.052 ( 1.167 -6.586 6.270) 9.168 9.511 ( 3.908 13.172 11.672) 18.028 10.731 ( -6.472 -3.131 -8.391) 11.050 15.398 ( -1.020 -1.015 4.784) 4.996 15.463 ( 5.110 0.391 -6.925) 8.615 16.029 ( 2.395 -2.844 5.319) 6.490 16.103 ( 1.002 3.604 3.672) 5.242 16.528 ( -0.967 -0.483 -1.256) 1.657 17.159 ( -4.032 -0.232 -4.775) 6.254 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 7.343 -3.220 -3.297) 8.670 1.732 ( 6.311 -3.902 -3.549) 8.225 2.028 ( -4.371 2.781 0.538) 5.209 2.909 ( 0.697 1.665 1.210) 2.173 3.008 ( -1.835 0.031 1.362) 2.286 3.227 ( 1.845 -3.517 3.983) 5.625 4.177 ( 1.946 5.315 4.321) 7.121 4.607 ( 3.960 -3.372 -2.808) 5.911 4.729 ( -5.618 -6.487 -5.552) 10.221 5.711 ( 2.135 0.043 -0.825) 2.289 6.110 ( -3.120 4.076 -2.265) 5.611 6.218 ( -6.700 -5.700 -2.347) 9.105 6.397 ( -3.657 6.370 -3.602) 8.181 6.530 ( 3.416 2.426 -2.398) 4.827 6.949 ( -1.126 -4.208 -0.348) 4.370 9.071 ( 4.603 -5.943 4.886) 8.965 9.751 ( 2.977 11.151 9.976) 15.256 10.531 ( -6.553 -5.454 -9.140) 12.499 15.372 ( -3.849 -1.193 3.724) 5.487 15.528 ( 6.473 1.605 -5.922) 8.919 16.080 ( 3.602 -4.016 6.532) 8.472 16.205 ( 2.916 5.734 3.484) 7.316 16.496 ( -1.562 -0.216 -1.225) 1.997 17.038 ( -5.694 -1.877 -5.599) 8.203 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 8.031 -4.656 -5.723) 10.906 1.776 ( 0.074 -0.312 4.002) 4.015 1.933 ( -10.621 4.303 -1.456) 11.551 2.932 ( -0.320 -0.021 1.258) 1.298 2.999 ( 0.960 0.945 -0.824) 1.579 3.293 ( 7.223 -4.085 3.612) 9.051 4.283 ( 1.894 5.218 3.820) 6.738 4.480 ( -5.998 -6.725 -2.829) 9.445 4.713 ( 6.041 -1.659 -2.913) 6.909 5.730 ( 0.033 -0.182 -0.387) 0.429 5.956 ( -10.499 -1.717 -10.623) 15.034 6.049 ( -7.678 0.785 3.334) 8.407 6.408 ( -2.039 1.660 -0.297) 2.647 6.663 ( 6.345 5.575 2.542) 8.820 6.893 ( -1.359 -2.127 -0.354) 2.549 9.149 ( 7.830 -4.306 3.414) 9.566 9.921 ( 0.619 8.015 7.250) 10.825 10.324 ( -5.049 -6.364 -9.265) 12.322 15.307 ( -4.996 -1.303 3.061) 6.002 15.626 ( 7.431 2.477 -6.033) 9.887 16.143 ( 3.910 -4.252 6.809) 8.929 16.327 ( 3.482 4.504 2.107) 6.070 16.468 ( -1.361 0.799 -0.087) 1.580 16.881 ( -7.265 -2.016 -4.972) 9.031 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -11.133 1.658 0.618) 11.272 1.773 ( 6.360 -1.118 -2.791) 7.035 1.802 ( -5.265 -1.818 3.002) 6.327 2.914 ( -1.419 0.345 -1.033) 1.789 3.050 ( 4.082 0.751 -0.419) 4.171 3.405 ( 8.998 -3.720 0.522) 9.751 4.341 ( -4.185 -1.574 -1.762) 4.806 4.372 ( 0.949 3.288 4.215) 5.429 4.776 ( 4.987 -2.229 -1.222) 5.597 5.638 ( -6.595 -3.921 -4.539) 8.915 5.812 ( -2.526 0.435 -1.917) 3.201 5.955 ( -7.883 3.693 3.004) 9.209 6.370 ( -3.791 1.300 0.363) 4.024 6.736 ( -2.651 -1.417 1.241) 3.252 6.933 ( 5.106 3.819 2.309) 6.781 9.275 ( 9.499 -2.839 1.800) 10.076 10.002 ( -5.275 7.309 6.198) 10.939 10.163 ( 1.317 -7.016 -9.719) 12.059 15.232 ( -4.728 -1.310 2.788) 5.643 15.737 ( 7.925 2.770 -7.114) 11.005 16.201 ( 3.220 -4.166 6.307) 8.216 16.385 ( 0.955 -1.066 -1.156) 1.839 16.480 ( 0.688 1.127 0.026) 1.321 16.734 ( -7.569 2.459 -0.334) 7.965 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -10.436 -1.167 -2.707) 10.844 1.697 ( -7.584 -6.430 8.198) 12.887 1.870 ( 5.974 2.427 -1.620) 6.649 2.895 ( -0.331 0.805 -1.858) 2.052 3.123 ( 4.449 -0.002 -0.672) 4.499 3.505 ( 7.890 -2.465 -3.603) 9.017 4.291 ( -2.268 2.147 0.529) 3.167 4.421 ( -0.992 2.257 2.945) 3.840 4.803 ( 0.962 -2.026 0.355) 2.271 5.503 ( -1.682 -2.695 -3.989) 5.099 5.749 ( -4.772 -3.964 6.027) 8.649 5.930 ( -2.823 6.970 -0.639) 7.548 6.330 ( -4.066 3.387 1.377) 5.468 6.649 ( -5.212 -2.873 1.185) 6.069 7.058 ( 3.667 2.486 2.237) 4.963 9.410 ( 8.981 -2.068 -0.023) 9.216 9.938 ( -9.137 3.433 0.592) 9.778 10.162 ( 6.753 -1.648 -3.611) 7.834 15.168 ( -3.563 -1.360 2.755) 4.704 15.842 ( 7.786 2.291 -9.052) 12.157 16.240 ( 1.570 -3.278 4.541) 5.817 16.339 ( -0.805 -5.673 -4.305) 7.167 16.454 ( -1.454 -2.252 -0.080) 2.681 16.726 ( -3.664 9.182 6.059) 11.596 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -4.724 -5.744 -2.332) 7.794 1.536 ( -8.202 -9.254 6.469) 13.956 1.985 ( 4.872 3.815 -0.072) 6.189 2.899 ( 0.965 0.855 -1.520) 1.994 3.171 ( 2.628 -1.439 -1.309) 3.270 3.568 ( 4.736 0.314 -6.047) 7.687 4.297 ( -1.311 3.238 0.983) 3.629 4.409 ( -3.086 0.615 -0.156) 3.150 4.788 ( -2.271 -0.141 3.586) 4.247 5.491 ( 4.659 -2.512 -2.011) 5.662 5.697 ( -2.415 -1.796 7.844) 8.401 5.953 ( -0.890 3.942 0.213) 4.047 6.326 ( -3.913 6.746 3.004) 8.357 6.550 ( -3.923 -2.751 0.789) 4.856 7.108 ( -0.005 -0.290 0.974) 1.016 9.515 ( 6.474 -1.721 -1.380) 6.840 9.820 ( -7.608 2.096 -3.008) 8.445 10.270 ( 6.752 2.467 1.252) 7.297 15.127 ( -1.838 -1.541 2.890) 3.756 15.905 ( 5.456 0.047 -11.948) 13.135 16.206 ( -2.145 -2.579 -3.518) 4.861 16.275 ( 2.164 -6.476 2.120) 7.149 16.430 ( -1.192 -0.358 2.438) 2.738 16.801 ( -2.915 8.638 7.202) 11.618 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 2.580 -9.750 -0.502) 10.098 1.358 ( -5.164 -10.099 2.055) 11.527 2.083 ( 3.857 2.011 -0.809) 4.424 2.919 ( 1.436 0.624 -1.057) 1.889 3.155 ( -1.109 -2.809 -1.625) 3.430 3.591 ( -0.006 3.952 -6.072) 7.245 4.281 ( -3.117 -1.267 -1.466) 3.670 4.380 ( 0.737 1.828 -0.599) 2.061 4.782 ( -3.342 2.963 5.154) 6.820 5.552 ( 6.154 -2.671 -1.314) 6.836 5.748 ( 3.784 0.566 7.079) 8.047 5.982 ( 0.565 1.477 3.953) 4.258 6.344 ( -6.468 7.306 6.296) 11.613 6.510 ( 1.676 0.446 -1.754) 2.467 7.066 ( -3.569 -2.690 -0.190) 4.474 9.553 ( 0.291 -0.634 -3.854) 3.917 9.706 ( -4.564 -0.039 -3.254) 5.605 10.433 ( 6.381 5.897 4.031) 9.579 15.115 ( 0.157 -1.842 3.170) 3.670 15.855 ( 0.192 -3.955 -12.482) 13.095 16.171 ( 1.759 -0.969 -2.800) 3.446 16.258 ( 0.971 -4.393 -0.005) 4.499 16.431 ( -0.657 0.550 2.617) 2.754 16.873 ( -2.768 7.227 8.009) 11.137 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 1.481 -9.600 -1.804) 9.880 1.264 ( 8.426 -11.124 -0.148) 13.956 2.127 ( 3.259 -2.450 -3.512) 5.381 2.938 ( 0.789 0.378 -0.728) 1.138 3.073 ( -3.737 -3.354 -1.420) 5.218 3.571 ( -5.343 7.717 -4.121) 10.251 4.191 ( -2.326 -4.369 -1.983) 5.332 4.447 ( 4.856 1.950 -0.560) 5.263 4.789 ( -3.913 5.607 2.912) 7.432 5.604 ( 5.022 -3.803 -2.126) 6.649 5.878 ( 7.410 -1.370 3.947) 8.506 6.090 ( 5.251 4.315 10.546) 12.547 6.328 ( -6.934 6.140 5.903) 10.983 6.581 ( 4.469 4.213 -1.621) 6.352 6.951 ( -6.021 -3.873 -0.783) 7.202 9.445 ( -7.274 1.733 -11.600) 13.801 9.646 ( -1.474 -5.186 3.895) 6.651 10.623 ( 5.227 9.057 4.194) 11.267 15.134 ( 2.036 -2.178 3.505) 4.602 15.729 ( -1.252 -5.090 -10.577) 11.805 16.159 ( -1.082 -1.620 -2.450) 3.130 16.237 ( 1.535 -2.307 -2.580) 3.786 16.449 ( 0.122 0.782 2.406) 2.533 16.950 ( -1.081 6.328 7.834) 10.128 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 7.100 -6.694 -7.110) 12.074 1.341 ( 12.510 -11.367 2.060) 17.028 2.103 ( 3.905 -7.924 -6.861) 11.185 2.923 ( -2.890 -0.610 -0.595) 3.013 2.996 ( -0.695 -1.781 -0.300) 1.935 3.522 ( -9.114 10.836 -1.451) 14.233 4.112 ( -1.070 -5.770 0.480) 5.888 4.545 ( 6.597 0.524 -3.599) 7.533 4.798 ( -3.941 8.273 1.033) 9.222 5.621 ( 4.614 -5.572 -2.505) 7.656 6.002 ( 8.385 -3.262 2.948) 9.468 6.301 ( 0.651 3.933 5.141) 6.506 6.336 ( 0.134 8.770 8.770) 12.403 6.671 ( 2.364 1.679 -0.250) 2.910 6.837 ( -2.656 0.560 0.483) 2.757 9.251 ( -8.324 1.226 -14.205) 16.510 9.574 ( -4.223 -8.245 7.816) 12.120 10.805 ( 2.948 10.706 2.383) 11.357 15.179 ( 3.448 -2.396 3.639) 5.557 15.607 ( -0.834 -4.748 -9.027) 10.233 16.086 ( -3.277 -0.860 -4.250) 5.435 16.220 ( -0.052 -3.050 -0.003) 3.051 16.477 ( 0.868 0.697 2.019) 2.306 17.051 ( 1.109 6.224 5.865) 8.624 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 10.586 -4.187 -9.089) 14.568 1.465 ( 12.617 -9.317 2.984) 15.966 2.037 ( 6.168 -12.754 -9.388) 16.995 2.861 ( -3.236 0.220 0.265) 3.255 2.994 ( 0.661 -0.657 0.951) 1.331 3.468 ( -10.346 11.935 0.683) 15.810 4.053 ( -0.788 -5.803 2.994) 6.578 4.593 ( 3.415 -1.709 -7.015) 7.987 4.858 ( 0.432 10.481 0.842) 10.524 5.628 ( 5.207 -6.602 -2.660) 8.820 6.119 ( 7.205 -3.028 1.975) 8.061 6.294 ( -7.679 5.834 2.132) 9.877 6.388 ( -1.837 -2.499 -0.585) 3.156 6.744 ( 3.731 3.822 2.038) 5.717 6.935 ( 5.723 6.936 4.983) 10.281 9.060 ( -6.256 1.208 -10.870) 12.600 9.455 ( -6.305 -9.196 9.161) 14.431 10.930 ( -0.252 9.450 -0.562) 9.470 15.241 ( 4.224 -2.236 3.470) 5.906 15.511 ( 0.164 -3.803 -7.880) 8.751 16.006 ( -2.723 0.163 -3.769) 4.652 16.177 ( -2.004 -4.012 2.731) 5.250 16.511 ( 1.243 0.470 1.390) 1.923 17.157 ( 1.372 5.908 2.875) 6.712 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 11.277 -11.548 -7.755) 17.907 1.413 ( 13.251 0.023 -7.695) 15.324 1.888 ( 12.101 -3.114 7.779) 14.719 2.913 ( -0.728 2.608 0.382) 2.735 3.003 ( 0.829 -3.200 1.962) 3.844 3.455 ( -12.747 2.832 2.635) 13.321 4.108 ( 2.318 2.918 3.294) 4.974 4.465 ( 3.685 -0.772 -3.663) 5.253 4.959 ( -6.492 -5.071 -4.831) 9.550 5.559 ( 7.054 -1.518 0.130) 7.217 6.011 ( 4.075 3.534 -2.871) 6.110 6.357 ( 0.803 -2.648 3.982) 4.849 6.451 ( -2.237 7.160 -4.353) 8.673 6.692 ( -9.328 1.644 -10.353) 14.032 6.951 ( 0.519 -5.531 -0.735) 5.603 9.052 ( -3.356 -5.729 6.965) 9.623 9.605 ( 5.511 10.034 7.763) 13.832 10.794 ( -8.671 -1.115 -5.145) 10.143 15.334 ( 5.215 -0.640 -6.800) 8.593 15.408 ( 2.391 -1.790 6.281) 6.955 16.013 ( -0.077 -2.071 3.920) 4.434 16.134 ( 1.413 2.785 3.185) 4.461 16.525 ( -0.094 -0.387 -1.407) 1.462 17.203 ( -4.600 0.681 -4.933) 6.779 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 11.683 -8.537 -6.028) 15.675 1.597 ( 10.295 3.037 -2.947) 11.130 2.067 ( 5.362 1.129 5.805) 7.983 2.919 ( -0.253 0.296 0.226) 0.451 3.007 ( 1.253 -2.294 1.689) 3.112 3.293 ( -9.520 -0.407 2.020) 9.740 4.198 ( 3.227 3.052 1.784) 4.786 4.512 ( 3.998 0.605 -1.473) 4.303 4.752 ( -8.243 -5.932 -4.304) 11.030 5.660 ( 4.984 0.305 1.674) 5.266 6.116 ( 4.170 5.059 -2.910) 7.173 6.280 ( -7.465 -5.471 -0.594) 9.274 6.471 ( 0.846 2.923 -5.908) 6.646 6.546 ( -5.167 6.894 -1.185) 8.696 6.910 ( 0.202 -2.977 -2.516) 3.903 9.010 ( 0.147 -5.833 6.836) 8.987 9.797 ( 5.564 4.885 1.692) 7.595 10.609 ( -10.460 -0.421 -1.808) 10.624 15.381 ( 4.806 0.531 -6.736) 8.292 15.447 ( 0.217 -1.695 6.644) 6.860 16.027 ( 2.196 -3.580 4.764) 6.351 16.222 ( 2.870 3.797 2.597) 5.421 16.507 ( -0.790 0.259 -1.461) 1.681 17.090 ( -5.702 -0.043 -5.439) 7.880 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 10.593 -2.799 -3.000) 11.360 1.748 ( 5.911 1.777 1.104) 6.270 2.118 ( -5.267 4.133 0.798) 6.742 2.927 ( 1.742 -1.261 1.099) 2.415 3.000 ( -1.492 -1.078 0.847) 2.026 3.202 ( 0.128 -3.227 0.821) 3.333 4.284 ( 4.171 0.730 0.868) 4.323 4.535 ( -6.704 0.327 -2.051) 7.018 4.610 ( 3.071 -0.967 -0.340) 3.238 5.733 ( 1.345 1.266 1.795) 2.576 6.051 ( -10.278 -2.810 -6.486) 12.474 6.169 ( -2.503 2.556 0.863) 3.680 6.446 ( -1.826 0.914 -1.922) 2.804 6.644 ( 4.667 7.602 2.965) 9.400 6.872 ( 0.097 -1.117 -4.025) 4.178 9.033 ( 4.123 -4.721 5.783) 8.528 9.893 ( 6.218 -2.321 -4.845) 8.218 10.438 ( -12.050 2.876 2.360) 12.612 15.378 ( -2.380 -0.852 -0.040) 2.528 15.504 ( 5.237 0.530 -0.624) 5.301 16.073 ( 3.992 -4.012 5.118) 7.631 16.308 ( 3.106 1.338 0.442) 3.410 16.493 ( -0.832 1.213 -0.738) 1.646 16.966 ( -6.506 1.303 -3.879) 7.685 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 8.734 1.111 -0.781) 8.839 1.817 ( -0.206 -1.282 4.054) 4.257 1.989 ( -12.985 3.224 -3.181) 13.752 2.951 ( -2.260 0.731 0.845) 2.521 2.978 ( 3.499 -1.551 -0.631) 3.879 3.234 ( 7.065 -4.427 -0.213) 8.340 4.360 ( 4.851 -1.541 1.848) 5.415 4.420 ( -5.977 2.850 -1.943) 6.901 4.687 ( 3.625 1.820 0.579) 4.097 5.708 ( -6.328 -1.748 -0.748) 6.608 5.874 ( -5.293 1.388 -1.997) 5.825 6.131 ( -6.403 3.553 3.006) 7.915 6.412 ( -1.647 -0.394 -0.699) 1.832 6.764 ( -0.553 1.984 0.030) 2.060 6.892 ( 5.285 3.443 -0.247) 6.312 9.118 ( 7.392 -3.256 2.973) 8.607 9.918 ( 7.611 -7.212 -7.172) 12.704 10.304 ( -12.573 6.528 4.457) 14.851 15.314 ( -4.634 -1.305 2.175) 5.283 15.598 ( 6.723 1.227 -4.049) 7.944 16.133 ( 4.242 -4.206 4.879) 7.713 16.333 ( 1.523 -2.989 -2.766) 4.348 16.490 ( -0.746 0.894 -0.580) 1.301 16.883 ( -5.646 5.558 0.337) 7.930 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( -9.502 -1.937 -4.921) 10.874 1.786 ( -1.031 -1.341 2.445) 2.973 1.816 ( -2.843 -0.358 3.099) 4.221 2.915 ( -2.172 1.150 -1.242) 2.754 3.036 ( 4.716 -1.179 -0.577) 4.896 3.327 ( 8.923 -2.501 -1.726) 9.426 4.373 ( -3.215 5.688 -3.533) 7.428 4.434 ( 3.343 -1.822 5.056) 6.329 4.748 ( 2.231 1.371 -1.427) 2.982 5.551 ( -7.644 -1.969 -1.134) 7.974 5.834 ( -3.798 0.155 5.316) 6.535 6.084 ( -6.668 6.513 1.733) 9.481 6.386 ( -0.891 0.053 0.098) 0.898 6.714 ( -4.346 -0.139 -1.379) 4.562 7.027 ( 4.931 2.634 2.148) 5.989 9.234 ( 9.143 -1.792 -1.698) 9.470 9.934 ( 7.057 -8.180 -3.878) 11.478 10.213 ( -9.800 8.859 3.804) 13.747 15.239 ( -4.659 -1.409 2.762) 5.597 15.687 ( 6.786 0.525 -6.353) 9.311 16.182 ( 3.583 -4.389 3.439) 6.628 16.272 ( -0.780 -5.545 -4.779) 7.362 16.475 ( -1.417 0.400 0.505) 1.557 16.896 ( -3.202 8.712 3.945) 10.086 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -11.522 -5.030 -6.886) 14.334 1.629 ( -9.484 -10.492 6.858) 15.718 1.919 ( 5.795 1.706 -0.904) 6.108 2.894 ( -0.603 0.955 -1.417) 1.812 3.092 ( 4.115 -1.643 -0.982) 4.538 3.446 ( 7.830 1.522 -2.961) 8.509 4.365 ( -1.982 5.516 -3.821) 6.997 4.460 ( -2.048 -1.439 2.180) 3.320 4.786 ( 2.764 1.225 -0.280) 3.036 5.444 ( -2.851 -2.595 1.415) 4.107 5.810 ( -4.546 0.266 10.113) 11.091 6.057 ( -5.233 7.073 -0.380) 8.806 6.396 ( 0.935 1.996 0.389) 2.238 6.626 ( -5.727 0.009 0.590) 5.758 7.102 ( 1.492 -0.210 1.476) 2.109 9.352 ( 9.335 -0.263 -5.907) 11.050 9.907 ( -1.855 -3.972 -2.430) 5.012 10.239 ( 0.881 7.002 5.497) 8.946 15.174 ( -3.643 -1.596 2.966) 4.961 15.739 ( 5.557 -2.024 -8.771) 10.578 16.160 ( -0.197 -4.859 -5.746) 7.528 16.221 ( 1.387 -3.596 3.209) 5.015 16.466 ( -1.285 0.532 2.060) 2.485 16.963 ( -2.397 8.649 5.163) 10.354 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -5.166 -9.402 -4.741) 11.729 1.392 ( -9.742 -12.988 4.584) 16.871 1.990 ( 5.006 -2.826 -4.010) 7.009 2.897 ( 0.933 0.801 -1.299) 1.789 3.118 ( 1.770 -2.004 -1.135) 2.905 3.567 ( 4.984 5.569 -2.946) 8.034 4.330 ( -5.352 0.168 -3.644) 6.477 4.399 ( -1.474 0.742 -2.330) 2.856 4.858 ( 1.475 3.033 3.967) 5.207 5.422 ( 2.699 -4.051 0.940) 4.958 5.821 ( -3.097 2.052 10.170) 10.827 6.047 ( -2.717 5.112 1.499) 5.980 6.453 ( 3.271 2.050 -0.712) 3.925 6.554 ( -6.133 3.676 3.942) 8.165 7.089 ( -2.094 -2.569 0.591) 3.367 9.454 ( 7.421 0.844 -7.256) 10.413 9.788 ( -6.874 -0.475 -4.987) 8.505 10.407 ( 6.424 5.585 8.638) 12.127 15.130 ( -1.913 -1.921 3.101) 4.119 15.710 ( 2.540 -5.962 -10.212) 12.095 16.111 ( 1.738 -1.083 -4.417) 4.869 16.221 ( 0.531 -3.092 1.348) 3.415 16.466 ( -0.995 0.520 2.486) 2.728 17.030 ( -2.787 7.491 5.946) 9.961 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 3.731 -12.865 -0.742) 13.416 1.152 ( -5.899 -13.234 0.371) 14.493 1.974 ( 4.179 -8.699 -8.009) 12.541 2.919 ( 1.439 0.971 -0.904) 1.957 3.091 ( -2.002 -1.824 -1.361) 3.031 3.669 ( 0.884 8.860 -1.862) 9.096 4.195 ( -4.909 -3.589 -3.549) 7.040 4.400 ( 1.551 0.681 -1.995) 2.617 4.917 ( -2.049 5.128 4.347) 7.028 5.450 ( 5.651 -5.171 -1.496) 7.804 5.847 ( -0.970 0.519 4.907) 5.029 6.120 ( 3.239 4.624 8.034) 9.819 6.484 ( -0.713 1.999 -0.445) 2.168 6.586 ( -0.741 7.714 5.319) 9.399 7.001 ( -4.930 -3.819 -0.148) 6.238 9.488 ( -1.075 2.296 -9.532) 9.864 9.647 ( -4.078 -2.101 -3.338) 5.673 10.630 ( 7.135 7.097 8.359) 13.082 15.115 ( 0.172 -2.284 3.344) 4.054 15.609 ( 0.749 -7.527 -9.524) 12.163 16.126 ( 2.374 0.458 -3.769) 4.478 16.197 ( -0.451 -2.059 -1.043) 2.352 16.472 ( -0.510 0.413 2.192) 2.288 17.085 ( -2.740 6.173 6.694) 9.509 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 1.771 -11.117 -4.543) 12.139 1.043 ( 11.328 -13.544 2.724) 17.866 1.874 ( 4.145 -14.208 -11.454) 18.715 2.945 ( 0.586 1.131 0.060) 1.275 3.015 ( -3.984 -1.112 -1.399) 4.367 3.732 ( -3.930 11.353 -0.653) 12.032 4.084 ( -2.015 -5.108 -0.968) 5.576 4.432 ( 4.189 -1.104 -2.883) 5.204 4.946 ( -3.655 7.230 2.626) 8.516 5.471 ( 4.898 -5.868 -3.449) 8.385 5.877 ( 3.835 -3.041 3.319) 5.914 6.299 ( 6.104 4.040 6.220) 9.606 6.511 ( -2.260 7.462 3.833) 8.688 6.672 ( 0.016 3.635 3.760) 5.230 6.887 ( -3.698 -1.532 0.058) 4.003 9.334 ( -9.714 2.679 -13.485) 16.834 9.591 ( -1.053 -5.665 3.638) 6.814 10.851 ( 5.326 9.262 4.776) 11.704 15.132 ( 2.065 -2.555 3.492) 4.794 15.498 ( 0.715 -7.112 -8.291) 10.947 16.110 ( -2.437 0.567 -3.953) 4.678 16.180 ( 1.475 -1.527 -1.507) 2.603 16.484 ( 0.228 0.192 1.668) 1.695 17.145 ( -1.231 5.461 6.590) 8.647 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 9.674 -7.076 -9.152) 15.080 1.167 ( 14.913 -11.756 5.370) 19.734 1.725 ( 5.692 -18.177 -13.104) 23.120 2.924 ( -3.714 0.943 -0.018) 3.832 2.983 ( 0.674 0.284 0.481) 0.876 3.742 ( -8.258 12.341 -0.219) 14.851 4.024 ( 0.079 -5.789 3.026) 6.533 4.466 ( 4.544 -2.423 -5.343) 7.421 4.978 ( -2.719 8.818 0.946) 9.276 5.465 ( 4.632 -6.588 -3.787) 8.900 5.958 ( 7.906 -4.444 2.416) 9.386 6.389 ( 0.033 0.788 -2.046) 2.192 6.504 ( -9.315 3.349 3.630) 10.543 6.740 ( 3.470 4.637 2.636) 6.363 6.932 ( 4.569 4.445 4.262) 7.668 9.134 ( -8.012 2.934 -9.841) 13.025 9.516 ( -4.446 -7.799 7.225) 11.524 11.007 ( 1.137 9.102 -0.283) 9.177 15.174 ( 3.600 -2.495 3.091) 5.361 15.407 ( 1.306 -5.922 -7.018) 9.275 16.042 ( -3.386 1.321 -3.915) 5.342 16.172 ( -0.039 -2.652 0.771) 2.762 16.502 ( 0.922 -0.100 1.033) 1.388 17.222 ( 0.015 5.445 4.576) 7.113 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 12.458 -11.565 -4.719) 17.641 1.145 ( 17.150 3.815 -8.146) 19.366 1.665 ( 17.440 -5.255 11.535) 21.559 2.951 ( -1.146 2.377 -0.534) 2.692 2.982 ( -0.938 -3.330 1.917) 3.955 3.709 ( -12.996 2.703 2.029) 13.428 4.082 ( 4.042 -0.011 -0.425) 4.064 4.395 ( 3.291 0.080 0.623) 3.350 5.009 ( -6.906 -1.675 -4.040) 8.174 5.428 ( 7.943 -0.850 1.381) 8.106 5.942 ( 4.865 1.380 -3.883) 6.376 6.330 ( 1.697 1.351 2.423) 3.252 6.572 ( -5.601 5.420 -2.454) 8.172 6.768 ( -5.954 -3.055 -6.497) 9.327 6.905 ( 0.073 0.080 -2.110) 2.113 9.129 ( -6.752 -5.471 8.219) 11.961 9.606 ( 5.958 3.825 2.323) 7.451 10.919 ( -8.112 2.870 -2.683) 9.013 15.212 ( 4.524 -0.652 -5.249) 6.960 15.364 ( 5.261 -2.076 6.367) 8.516 16.039 ( -2.258 -1.687 3.528) 4.516 16.147 ( 1.726 1.978 2.193) 3.421 16.510 ( 0.594 -0.195 -1.174) 1.330 17.256 ( -4.613 0.950 -5.333) 7.115 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 12.331 -3.125 0.475) 12.730 1.407 ( 14.682 4.923 -5.057) 16.290 1.950 ( 13.697 -1.939 9.757) 16.928 2.920 ( -1.302 -2.653 -0.216) 2.963 2.983 ( 1.002 0.351 0.856) 1.364 3.503 ( -14.574 -0.310 0.935) 14.607 4.140 ( 4.588 -1.026 -2.299) 5.233 4.475 ( 3.554 2.584 3.282) 5.484 4.837 ( -9.178 -1.491 -2.906) 9.742 5.572 ( 7.933 0.639 2.898) 8.470 6.054 ( 6.951 4.739 -3.011) 8.936 6.336 ( -4.019 -1.714 0.726) 4.429 6.476 ( -3.904 -0.221 -5.245) 6.542 6.669 ( -3.585 3.479 -0.455) 5.016 6.887 ( -1.236 2.540 -4.958) 5.706 9.038 ( -4.117 -5.412 8.753) 11.084 9.696 ( 5.850 -3.304 -5.012) 8.382 10.806 ( -10.035 4.742 1.940) 11.268 15.262 ( 5.276 0.782 -5.322) 7.534 15.454 ( 2.830 -2.093 7.634) 8.406 16.010 ( -0.834 -2.819 3.793) 4.798 16.211 ( 2.690 1.299 1.088) 3.179 16.509 ( 0.042 0.589 -1.428) 1.545 17.153 ( -5.207 1.401 -5.304) 7.564 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 10.639 2.351 3.224) 11.362 1.637 ( 10.747 3.921 -1.609) 11.552 2.158 ( 5.709 1.541 4.852) 7.649 2.882 ( 0.646 -3.522 0.283) 3.592 3.008 ( 0.846 0.285 0.462) 1.005 3.271 ( -11.383 -2.687 -0.478) 11.705 4.184 ( 5.182 -2.911 -2.808) 6.574 4.583 ( 2.868 2.127 5.067) 6.199 4.676 ( -8.949 3.450 -1.718) 9.744 5.711 ( 5.201 1.600 2.874) 6.154 6.145 ( -5.128 0.812 -5.777) 7.767 6.202 ( -1.474 0.212 1.851) 2.376 6.439 ( 0.908 -1.296 -2.016) 2.563 6.693 ( 0.608 5.858 2.302) 6.323 6.857 ( -1.966 4.413 -7.207) 8.677 9.004 ( -0.615 -4.603 8.536) 9.718 9.691 ( 6.261 -8.514 -8.774) 13.735 10.702 ( -11.380 6.100 3.915) 13.492 15.323 ( 4.609 1.314 -5.599) 7.370 15.503 ( -0.139 -1.703 8.046) 8.225 16.014 ( 1.993 -3.099 3.687) 5.213 16.257 ( 2.799 -1.567 -1.211) 3.429 16.507 ( -0.243 1.270 -1.363) 1.879 17.062 ( -5.280 3.285 -3.210) 6.998 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 8.511 3.806 3.401) 9.924 1.791 ( 4.965 0.746 1.654) 5.286 2.176 ( -7.668 3.118 -2.778) 8.731 2.892 ( 3.951 -3.456 1.647) 5.501 3.010 ( -1.728 0.204 0.624) 1.848 3.127 ( -1.106 -3.070 -1.366) 3.537 4.228 ( 6.431 -4.270 -2.333) 8.065 4.550 ( -6.424 2.266 1.558) 6.988 4.706 ( 0.730 7.066 2.167) 7.427 5.775 ( -1.764 0.459 1.376) 2.283 5.974 ( -7.225 0.435 -2.398) 7.625 6.231 ( -1.009 1.092 2.286) 2.727 6.424 ( -0.903 -1.457 0.846) 1.912 6.815 ( 0.541 6.606 1.840) 6.879 6.825 ( 2.700 4.176 -7.819) 9.267 9.028 ( 2.729 -3.467 5.523) 7.069 9.664 ( 7.945 -10.374 -7.121) 14.881 10.596 ( -11.929 7.064 3.511) 14.302 15.348 ( 0.393 0.096 -2.810) 2.839 15.534 ( 1.013 -0.177 4.386) 4.505 16.054 ( 3.788 -3.277 3.124) 5.903 16.251 ( 1.815 -4.711 -3.482) 6.133 16.507 ( -0.488 1.327 -1.063) 1.769 17.017 ( -4.206 5.925 -0.108) 7.267 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 4.701 0.893 1.017) 4.892 1.813 ( -2.223 -2.571 1.404) 3.677 1.973 ( -13.979 0.024 -4.195) 14.595 2.941 ( 3.217 -1.550 -0.125) 3.574 2.974 ( -2.087 0.212 0.410) 2.138 3.166 ( 7.648 -0.556 -0.476) 7.683 4.282 ( 7.098 -4.992 -2.602) 9.060 4.512 ( -4.117 5.185 2.484) 7.071 4.773 ( -0.922 6.155 -0.689) 6.262 5.664 ( -8.505 -1.722 -0.818) 8.716 5.934 ( -2.810 2.506 5.134) 6.367 6.223 ( -2.425 0.910 2.116) 3.345 6.400 ( -1.861 0.186 1.842) 2.625 6.774 ( -3.810 4.767 -6.592) 8.983 6.970 ( 6.216 2.771 1.119) 6.897 9.084 ( 5.645 -1.824 -1.326) 6.079 9.688 ( 10.073 -10.354 -0.879) 14.472 10.496 ( -11.457 8.693 2.549) 14.606 15.311 ( -3.438 -0.979 1.117) 3.745 15.580 ( 3.137 0.088 -1.196) 3.359 16.097 ( 3.523 -3.458 0.233) 4.942 16.197 ( 0.781 -6.071 -2.627) 6.661 16.504 ( -0.872 1.170 -0.006) 1.459 17.035 ( -2.364 7.546 2.042) 8.167 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -13.839 -4.004 -8.915) 16.942 1.724 ( -8.897 -9.084 5.328) 13.786 1.835 ( 2.703 -1.155 -1.952) 3.528 2.920 ( -2.383 0.543 -0.741) 2.553 3.005 ( 4.254 -1.423 -0.326) 4.497 3.321 ( 9.136 3.921 -0.442) 9.952 4.323 ( 5.408 -4.071 -3.596) 7.665 4.516 ( -3.265 2.679 1.480) 4.475 4.798 ( -1.018 7.364 -2.880) 7.973 5.518 ( -6.952 -2.714 2.003) 7.727 5.948 ( -3.623 1.838 9.874) 10.677 6.198 ( -3.634 2.560 0.494) 4.472 6.397 ( -0.750 1.931 1.134) 2.361 6.713 ( -4.289 3.565 -3.681) 6.683 7.068 ( 3.510 -0.096 0.687) 3.578 9.162 ( 8.360 0.477 -8.185) 11.710 9.765 ( 8.883 -9.981 3.518) 13.817 10.437 ( -8.491 10.724 3.595) 14.143 15.245 ( -4.483 -1.407 2.680) 5.409 15.605 ( 2.979 -2.145 -5.061) 6.252 16.078 ( 1.049 -3.488 -5.911) 6.943 16.175 ( 2.140 -4.488 3.151) 5.887 16.501 ( -1.039 0.902 1.155) 1.797 17.094 ( -1.267 7.711 2.898) 8.335 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -13.090 -6.999 -8.908) 17.311 1.476 ( -11.999 -13.642 5.975) 19.125 1.839 ( 3.915 -6.552 -6.133) 9.791 2.896 ( -0.690 0.895 -0.793) 1.380 3.053 ( 3.479 -1.344 -0.703) 3.795 3.510 ( 7.778 7.174 -0.284) 10.586 4.339 ( 3.018 -2.173 -4.748) 6.031 4.431 ( -6.730 -1.804 -2.124) 7.284 4.876 ( 2.304 8.256 -0.286) 8.576 5.416 ( -3.875 -3.850 3.178) 6.320 5.967 ( -4.007 1.277 11.561) 12.302 6.158 ( -4.212 2.971 -0.557) 5.184 6.423 ( 0.848 2.778 -0.315) 2.922 6.680 ( -2.808 4.538 0.796) 5.396 7.089 ( 0.024 -2.312 0.615) 2.393 9.266 ( 9.932 2.405 -11.581) 15.445 9.787 ( 1.683 -7.152 0.164) 7.349 10.489 ( -1.485 10.011 8.801) 13.413 15.178 ( -3.858 -1.794 3.014) 5.214 15.568 ( 1.451 -5.599 -7.269) 9.289 16.045 ( 1.852 -0.742 -4.860) 5.254 16.186 ( 1.494 -3.543 2.309) 4.485 16.499 ( -1.024 0.427 1.618) 1.962 17.162 ( -1.389 7.140 3.418) 8.037 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -5.724 -11.321 -4.717) 13.534 1.174 ( -11.641 -15.591 4.117) 19.888 1.758 ( 3.084 -12.489 -10.309) 16.485 2.906 ( 0.943 1.613 -0.580) 1.957 3.077 ( 1.259 -0.940 -1.250) 2.008 3.692 ( 5.276 8.531 0.432) 10.040 4.241 ( -7.225 -2.712 -6.037) 9.798 4.361 ( 1.573 -2.321 -1.273) 3.079 4.989 ( 1.658 6.976 1.479) 7.321 5.358 ( -0.145 -4.400 1.221) 4.568 5.951 ( -6.033 0.612 5.400) 8.120 6.152 ( 1.076 1.144 4.477) 4.744 6.474 ( 1.803 4.514 -0.817) 4.929 6.718 ( -1.134 6.162 4.394) 7.652 7.037 ( -3.425 -3.570 0.755) 5.004 9.378 ( 8.660 2.926 -11.448) 14.650 9.692 ( -5.098 -2.992 -5.386) 7.997 10.661 ( 3.965 7.665 12.377) 15.088 15.128 ( -2.069 -2.215 3.116) 4.347 15.475 ( 0.463 -7.450 -7.492) 10.576 16.063 ( 3.003 1.035 -3.956) 5.074 16.180 ( 0.141 -2.446 0.545) 2.510 16.495 ( -0.792 -0.087 1.449) 1.653 17.218 ( -2.170 6.186 4.143) 7.755 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 5.664 -14.771 2.015) 15.948 0.885 ( -6.848 -15.519 0.494) 16.970 1.591 ( 2.795 -17.673 -13.557) 22.448 2.943 ( 1.354 2.175 0.165) 2.567 3.056 ( -2.183 0.030 -1.782) 2.818 3.838 ( 2.220 8.562 1.022) 8.904 4.077 ( -4.512 -4.472 -3.608) 7.306 4.362 ( 1.636 -1.510 -1.543) 2.709 5.065 ( -1.189 6.297 2.020) 6.719 5.338 ( 2.736 -4.641 -1.952) 5.730 5.875 ( -3.858 -2.398 2.372) 5.124 6.256 ( 5.731 1.646 3.909) 7.130 6.564 ( 3.017 6.549 1.299) 7.327 6.787 ( -1.997 5.270 6.579) 8.663 6.931 ( -4.936 -3.423 0.054) 6.007 9.416 ( -2.767 3.700 -11.816) 12.687 9.552 ( -1.554 -3.245 -4.105) 5.459 10.879 ( 5.375 7.505 9.879) 13.521 15.110 ( 0.140 -2.546 3.360) 4.218 15.369 ( 0.704 -7.445 -6.826) 10.125 16.101 ( 2.382 1.411 -3.386) 4.373 16.152 ( -1.033 -1.260 -1.304) 2.086 16.491 ( -0.258 -0.478 1.012) 1.149 17.260 ( -2.265 5.044 5.060) 7.495 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 3.265 -12.290 -5.224) 13.747 0.841 ( 14.569 -14.179 7.387) 21.630 1.375 ( 4.112 -21.357 -14.834) 26.327 2.985 ( 0.495 2.065 1.496) 2.597 2.997 ( -3.774 1.170 -1.626) 4.273 3.927 ( -1.864 9.016 -0.941) 9.255 3.981 ( -0.222 -5.814 1.196) 5.940 4.366 ( 1.849 -1.381 -2.249) 3.222 5.102 ( -2.450 6.447 1.286) 7.016 5.324 ( 3.007 -4.870 -3.891) 6.921 5.843 ( 2.609 -4.618 2.864) 6.028 6.360 ( 3.028 1.717 -2.714) 4.414 6.678 ( -3.036 4.726 2.326) 6.079 6.765 ( -2.134 1.486 4.925) 5.569 6.922 ( 3.066 2.243 2.697) 4.659 9.251 ( -9.230 3.727 -9.279) 13.609 9.521 ( 0.059 -5.398 2.290) 5.864 11.061 ( 2.599 8.042 2.288) 8.756 15.122 ( 1.906 -2.617 2.997) 4.411 15.286 ( 1.644 -6.337 -5.715) 8.690 16.086 ( -2.857 1.398 -3.312) 4.592 16.142 ( 1.468 -0.981 -0.876) 1.971 16.491 ( 0.463 -0.723 0.540) 1.014 17.307 ( -1.070 4.396 4.922) 6.686 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -0.000 0.000 19.214) 19.214 0.713 ( -0.000 0.000 19.214) 19.214 1.089 ( -0.000 0.000 28.730) 28.730 3.025 ( 0.000 -0.000 -3.047) 3.047 3.025 ( 0.000 -0.000 -3.047) 3.047 3.926 ( -0.000 0.000 6.205) 6.205 3.926 ( -0.000 0.000 6.205) 6.205 4.375 ( 0.000 -0.000 -6.058) 6.058 5.393 ( -0.000 0.000 3.499) 3.499 5.735 ( -0.000 0.000 3.903) 3.903 5.735 ( -0.000 0.000 3.903) 3.903 6.353 ( -0.000 0.000 0.913) 0.913 6.737 ( 0.000 -0.000 -4.768) 4.768 6.737 ( 0.000 -0.000 -4.768) 4.768 6.851 ( 0.000 -0.000 -5.234) 5.234 9.289 ( 0.000 -0.000 -3.765) 3.765 9.289 ( 0.000 -0.000 -3.765) 3.765 11.393 ( -0.000 0.000 0.683) 0.683 15.127 ( -0.000 0.000 3.510) 3.510 15.127 ( -0.000 0.000 3.510) 3.510 16.068 ( 0.000 -0.000 -1.591) 1.591 16.068 ( 0.000 -0.000 -1.591) 1.591 16.486 ( -0.000 0.000 1.502) 1.502 17.539 ( 0.000 -0.000 -1.205) 1.205 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -2.736 0.108 17.961) 18.169 1.006 ( 10.265 3.977 16.801) 20.086 1.334 ( 6.298 3.325 25.291) 26.275 2.975 ( -1.691 -0.770 -2.650) 3.237 3.017 ( -0.280 -0.173 -2.872) 2.891 3.905 ( -1.686 -1.320 5.694) 6.083 4.091 ( 6.190 5.161 4.387) 9.176 4.313 ( -1.367 -1.544 -4.265) 4.737 5.381 ( -2.929 -1.182 3.140) 4.453 5.619 ( -6.346 -10.528 6.029) 13.691 5.816 ( -0.679 8.919 5.221) 10.357 6.304 ( -0.737 -7.743 -1.064) 7.850 6.682 ( -1.946 3.149 -6.365) 7.363 6.786 ( 0.062 3.108 -3.326) 4.553 6.810 ( 3.779 -0.775 -5.738) 6.914 9.167 ( -5.268 0.880 -5.398) 7.594 9.472 ( 11.381 4.399 -1.541) 12.298 11.266 ( -9.369 -7.293 0.878) 11.905 15.118 ( -0.420 0.134 2.898) 2.931 15.221 ( 4.282 1.683 4.426) 6.384 16.034 ( -0.479 -1.340 -2.334) 2.734 16.113 ( 2.733 2.068 -0.962) 3.560 16.494 ( -0.040 0.070 1.292) 1.295 17.472 ( -4.976 -1.897 -0.703) 5.372 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 6.332 5.345 11.580) 14.240 1.298 ( 9.213 4.560 13.558) 17.014 1.622 ( 9.068 2.192 20.534) 22.554 2.935 ( -0.745 -0.432 -1.766) 1.965 2.981 ( -1.970 -0.367 -2.339) 3.080 3.887 ( -1.666 -5.240 2.896) 6.215 4.105 ( -7.897 3.797 -0.998) 8.819 4.413 ( 10.666 3.534 3.657) 11.816 5.313 ( -6.030 -2.083 2.184) 6.743 5.477 ( -3.150 -7.589 4.919) 9.577 5.929 ( 0.550 8.903 3.013) 9.415 6.206 ( 1.301 -11.456 -1.689) 11.653 6.608 ( -4.901 0.736 -5.945) 7.740 6.772 ( -0.696 5.537 -5.356) 7.735 6.895 ( 5.762 2.256 -3.112) 6.926 9.078 ( -3.766 2.642 -5.016) 6.806 9.646 ( 4.380 1.410 5.416) 7.107 11.030 ( -8.098 -9.226 -3.725) 12.829 15.147 ( 1.205 1.132 2.568) 3.054 15.339 ( 5.119 1.557 3.985) 6.671 16.002 ( -0.094 -1.442 -2.486) 2.876 16.164 ( 1.542 0.967 1.290) 2.231 16.500 ( -0.135 0.188 0.541) 0.588 17.365 ( -5.424 -0.977 -1.527) 5.719 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 11.704 7.814 5.489) 15.105 1.531 ( 5.237 4.763 9.865) 12.142 1.903 ( 11.056 0.125 14.976) 18.615 2.917 ( -3.765 -0.274 -1.908) 4.230 2.926 ( 0.665 0.021 -1.092) 1.278 3.742 ( -7.595 -8.970 -1.173) 11.812 4.053 ( -4.899 5.133 4.350) 8.323 4.630 ( 8.279 2.999 2.896) 9.269 5.181 ( -7.386 -2.147 -0.233) 7.696 5.453 ( 3.145 -2.661 2.171) 4.657 5.998 ( 1.031 1.641 -3.909) 4.363 6.136 ( 1.758 -7.861 1.642) 8.221 6.498 ( -4.841 0.716 -4.435) 6.604 6.789 ( -1.419 7.824 -5.901) 9.902 6.986 ( 4.440 2.607 -1.988) 5.520 9.043 ( -0.980 3.061 -2.244) 3.920 9.687 ( -5.347 -3.087 13.324) 14.685 10.819 ( -2.546 -7.213 -10.947) 13.355 15.205 ( 2.305 1.723 2.659) 3.918 15.449 ( 4.475 0.855 1.751) 4.881 15.980 ( 0.442 -0.983 -1.403) 1.769 16.194 ( -0.318 -0.342 4.289) 4.314 16.501 ( 0.012 0.397 -0.322) 0.511 17.266 ( -4.448 -0.104 -3.299) 5.539 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 12.387 6.892 2.080) 14.326 1.668 ( 1.668 3.142 5.959) 6.940 2.138 ( 8.826 -0.127 7.122) 11.342 2.825 ( -4.687 -1.139 -1.675) 5.106 2.949 ( 1.353 1.139 0.427) 1.819 3.518 ( -8.814 -8.031 0.440) 11.932 4.062 ( -3.218 3.536 5.616) 7.376 4.724 ( 1.453 -3.183 0.309) 3.513 5.070 ( -4.658 3.017 -3.303) 6.458 5.543 ( 7.910 0.095 -0.274) 7.916 5.973 ( 2.438 -4.494 -3.746) 6.338 6.107 ( -0.248 -4.039 -0.210) 4.052 6.427 ( -2.276 1.421 -3.976) 4.796 6.788 ( -3.690 8.113 -6.488) 11.024 7.062 ( 2.625 3.196 -1.118) 4.284 9.082 ( 2.431 2.738 2.378) 4.366 9.584 ( -11.754 -6.888 16.514) 21.408 10.694 ( 2.459 -3.198 -14.654) 15.199 15.282 ( 2.811 1.885 3.297) 4.725 15.507 ( 2.338 -0.512 -2.172) 3.232 15.987 ( 1.291 -0.087 0.985) 1.626 16.198 ( -2.362 -1.306 6.820) 7.335 16.506 ( 0.439 0.775 -0.888) 1.258 17.183 ( -2.717 0.332 -5.121) 5.807 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 2.937 -0.512 0.718) 3.066 1.756 ( 4.449 3.082 2.544) 5.980 2.215 ( -2.001 1.036 -5.073) 5.551 2.770 ( 0.499 -1.399 2.629) 3.019 2.991 ( 1.132 1.800 2.157) 3.029 3.340 ( -5.882 -5.741 2.768) 8.673 4.077 ( -2.366 2.204 6.002) 6.818 4.648 ( -2.361 -6.426 -3.293) 7.597 5.039 ( -2.411 5.586 -4.412) 7.516 5.652 ( 5.794 -0.654 -4.366) 7.284 6.001 ( 6.900 -3.672 2.709) 8.272 6.052 ( -1.229 -1.752 -2.971) 3.662 6.392 ( 0.409 0.379 -6.279) 6.304 6.739 ( -5.798 6.663 -7.309) 11.464 7.110 ( -0.028 3.446 -0.816) 3.542 9.193 ( 4.231 2.913 6.687) 8.432 9.413 ( -10.931 -8.543 15.336) 20.680 10.655 ( 4.390 0.380 -13.901) 14.583 15.366 ( 2.668 1.460 4.363) 5.319 15.489 ( -0.241 -1.666 -5.359) 5.617 16.024 ( 1.593 -0.143 2.637) 3.084 16.176 ( -3.977 -1.218 7.955) 8.977 16.519 ( 0.610 1.105 -1.107) 1.679 17.129 ( -0.290 0.662 -6.289) 6.331 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -4.097 -6.432 -2.229) 7.946 1.812 ( -4.089 -0.830 -0.727) 4.236 2.080 ( -6.833 0.660 -7.342) 10.052 2.824 ( 3.447 -0.908 2.886) 4.586 3.046 ( 1.008 1.746 3.719) 4.230 3.275 ( 0.303 -0.854 3.977) 4.079 4.099 ( -1.466 1.221 6.255) 6.540 4.531 ( -1.931 -4.750 -5.220) 7.317 5.023 ( -1.920 4.019 -4.775) 6.530 5.654 ( 0.275 -2.675 -4.468) 5.214 5.997 ( -0.537 -1.984 -2.353) 3.124 6.148 ( 9.405 -0.419 1.051) 9.473 6.376 ( 2.962 -0.635 -6.639) 7.297 6.652 ( -5.619 5.821 -8.111) 11.457 7.112 ( -2.869 3.098 -0.718) 4.283 9.255 ( -9.376 1.971 10.679) 14.347 9.362 ( 7.229 -6.723 11.763) 15.357 10.671 ( 5.082 2.837 -11.959) 13.300 15.408 ( -0.744 -3.208 -6.522) 7.306 15.446 ( 0.002 1.454 5.741) 5.923 16.048 ( 0.382 -2.548 3.268) 4.161 16.155 ( -3.578 1.119 6.903) 7.856 16.528 ( 0.182 1.006 -1.461) 1.783 17.116 ( 2.215 1.288 -6.392) 6.887 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -6.891 -10.454 -4.739) 13.387 1.577 ( -17.407 -0.463 -8.297) 19.289 1.969 ( -5.211 -5.428 3.538) 8.315 2.871 ( 2.169 -0.884 1.378) 2.718 3.066 ( -1.805 0.242 2.938) 3.457 3.403 ( 8.603 5.195 4.031) 10.828 4.123 ( -1.381 0.635 6.065) 6.252 4.443 ( -1.154 -2.478 -4.730) 5.463 5.000 ( -0.722 2.294 -4.876) 5.437 5.573 ( -3.358 -4.243 -2.797) 6.091 5.963 ( -0.753 0.203 -3.657) 3.739 6.258 ( 8.079 -2.980 -8.042) 11.782 6.398 ( 1.205 -0.677 3.126) 3.418 6.616 ( 1.702 6.723 -9.219) 11.536 7.071 ( -5.058 2.936 -0.596) 5.879 9.220 ( -4.158 1.571 11.355) 12.194 9.486 ( 5.041 -4.043 9.974) 11.884 10.726 ( 6.068 3.570 -10.503) 12.644 15.305 ( -2.706 -2.790 -7.017) 8.022 15.482 ( -1.880 -0.884 7.728) 8.002 16.040 ( 0.078 -3.073 3.806) 4.892 16.160 ( -2.267 2.028 4.403) 5.351 16.524 ( -0.344 0.552 -1.877) 1.986 17.145 ( 3.693 2.286 -5.962) 7.376 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -8.793 -12.916 -5.214) 16.472 1.220 ( -19.592 -0.295 -7.063) 20.828 1.815 ( -9.889 -9.524 9.270) 16.566 2.905 ( 2.335 -0.632 0.620) 2.497 3.054 ( -2.053 1.036 2.636) 3.499 3.636 ( 10.521 5.719 1.850) 12.117 4.124 ( -3.455 0.631 4.508) 5.715 4.389 ( -0.887 -1.738 -1.344) 2.370 5.000 ( 1.934 2.418 -4.538) 5.494 5.447 ( -4.548 -5.401 -1.142) 7.152 5.926 ( -1.950 1.363 -4.140) 4.775 6.266 ( 3.323 -3.465 -6.946) 8.444 6.456 ( 4.851 0.241 1.813) 5.184 6.701 ( 6.055 5.232 -7.231) 10.785 7.003 ( -6.180 3.088 -0.501) 6.927 9.284 ( 0.060 3.842 12.030) 12.629 9.554 ( 1.011 -2.966 7.400) 8.036 10.801 ( 7.451 1.955 -10.140) 12.734 15.196 ( -2.913 -2.249 -5.651) 6.744 15.453 ( -4.859 -3.177 7.806) 9.729 16.055 ( 1.819 -1.765 3.849) 4.609 16.163 ( -1.928 1.183 2.626) 3.465 16.508 ( -0.579 0.149 -1.766) 1.864 17.199 ( 3.782 3.404 -5.705) 7.645 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 2.034 -2.723 18.617) 18.925 1.035 ( -2.191 2.647 18.362) 18.681 1.510 ( -0.376 9.856 22.310) 24.393 2.963 ( 0.130 -1.036 -2.723) 2.916 3.004 ( 0.019 0.756 -3.354) 3.439 3.960 ( -1.405 -1.452 5.012) 5.404 4.083 ( 2.787 3.682 5.423) 7.123 4.300 ( -0.858 0.956 -3.898) 4.104 5.394 ( 0.430 -4.296 3.370) 5.477 5.663 ( -7.198 -9.056 5.853) 12.965 5.840 ( 9.243 2.255 5.842) 11.165 6.292 ( -6.903 -6.269 -2.149) 9.569 6.633 ( 5.900 -0.530 -6.300) 8.647 6.716 ( -1.177 -2.344 -4.571) 5.270 6.798 ( -0.253 3.435 -4.857) 5.954 9.245 ( 6.083 6.055 -5.851) 10.387 9.391 ( -5.016 9.150 -3.476) 10.999 11.264 ( -1.252 -13.528 1.919) 13.721 15.120 ( 0.178 -2.310 3.261) 4.000 15.264 ( -0.498 6.346 4.741) 7.938 16.052 ( -1.927 1.883 -2.610) 3.751 16.085 ( 1.520 2.372 -1.417) 3.153 16.500 ( 0.079 -0.542 1.368) 1.473 17.458 ( 0.689 -6.555 -0.623) 6.620 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -0.364 2.708 16.376) 16.602 1.227 ( 9.582 0.157 16.132) 18.764 1.722 ( 1.093 8.123 17.444) 19.274 2.934 ( -0.865 -0.268 -2.074) 2.264 2.989 ( -0.692 0.867 -2.915) 3.119 3.898 ( -3.708 -5.201 1.275) 6.513 4.243 ( -1.940 6.693 1.571) 7.143 4.299 ( 7.640 2.031 3.314) 8.572 5.355 ( -2.051 -5.822 2.614) 6.703 5.501 ( -5.840 -8.551 5.199) 11.587 6.019 ( 4.382 4.542 5.481) 8.359 6.080 ( -4.622 -10.505 -4.506) 12.330 6.624 ( -2.537 -2.719 -3.853) 5.355 6.718 ( 7.208 -1.154 -6.228) 9.596 6.828 ( 2.019 5.383 -3.550) 6.757 9.226 ( -8.996 10.826 -5.845) 15.241 9.547 ( 11.388 5.695 -2.093) 12.904 11.045 ( -8.373 -16.532 1.944) 18.633 15.133 ( 1.637 -1.763 3.002) 3.847 15.359 ( 0.848 6.788 4.623) 8.257 16.010 ( -2.451 1.544 -2.383) 3.751 16.146 ( 2.777 2.316 -0.429) 3.641 16.501 ( 0.065 -0.855 0.806) 1.177 17.382 ( -1.694 -6.183 -1.221) 6.526 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 4.934 5.941 10.880) 13.342 1.486 ( 10.441 1.146 11.494) 15.571 1.897 ( 2.850 3.563 12.985) 13.764 2.917 ( -0.061 0.372 -0.826) 0.908 2.959 ( -2.355 1.058 -2.358) 3.497 3.760 ( -5.815 -8.028 -0.841) 9.948 4.230 ( -6.004 6.818 3.291) 9.663 4.521 ( 10.241 2.644 2.992) 10.992 5.236 ( -5.080 -7.458 0.377) 9.032 5.416 ( -0.476 -4.206 3.378) 5.416 5.917 ( -0.068 -10.141 -4.836) 11.235 6.116 ( 0.318 2.909 1.879) 3.478 6.531 ( -3.099 -1.978 -3.527) 5.095 6.798 ( 5.712 1.776 -3.255) 6.810 6.899 ( 3.919 3.336 -3.566) 6.261 9.162 ( -7.227 10.453 -3.528) 13.189 9.735 ( 5.580 1.868 3.990) 7.110 10.753 ( -7.904 -14.794 -3.183) 17.073 15.176 ( 3.156 -1.280 2.886) 4.464 15.457 ( 0.516 6.281 2.795) 6.894 15.984 ( -1.201 1.903 -1.203) 2.551 16.203 ( 1.735 1.008 2.073) 2.886 16.497 ( 0.151 -0.896 -0.026) 0.909 17.283 ( -2.558 -4.941 -2.825) 6.240 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 9.058 6.746 5.268) 12.462 1.682 ( 4.546 2.433 5.452) 7.504 2.047 ( 6.633 -1.157 8.772) 11.058 2.889 ( -4.262 0.646 -2.057) 4.776 2.944 ( 0.986 1.528 0.696) 1.947 3.568 ( -7.396 -8.425 0.038) 11.211 4.221 ( -5.867 6.231 5.029) 9.927 4.652 ( 3.855 -2.820 -0.629) 4.817 5.109 ( -2.599 -3.161 -2.275) 4.682 5.434 ( 4.486 -1.910 1.257) 5.035 5.834 ( 3.612 -8.526 -3.056) 9.751 6.114 ( -2.172 1.313 -2.386) 3.483 6.451 ( -2.841 -1.072 -2.950) 4.233 6.864 ( -0.693 6.218 -3.955) 7.402 6.984 ( 7.043 -0.309 -1.562) 7.220 9.156 ( -3.471 8.640 1.019) 9.367 9.778 ( -5.903 -3.734 12.602) 14.408 10.524 ( 0.100 -8.700 -12.128) 14.926 15.242 ( 4.244 -1.171 2.964) 5.308 15.512 ( -1.214 4.740 -0.413) 4.910 15.997 ( 0.029 2.971 1.221) 3.212 16.243 ( 0.133 -0.424 4.976) 4.995 16.493 ( 0.685 -0.471 -0.787) 1.145 17.178 ( -2.253 -3.888 -4.992) 6.717 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 6.993 3.885 1.630) 8.164 1.745 ( 0.658 0.984 1.014) 1.558 2.171 ( 5.135 -1.505 0.928) 5.430 2.809 ( -4.342 0.679 -0.279) 4.403 2.996 ( 2.027 1.852 2.281) 3.570 3.388 ( -6.185 -7.264 2.659) 9.904 4.212 ( -5.274 4.643 5.430) 8.881 4.598 ( -1.644 -6.507 -3.499) 7.569 5.059 ( -0.346 -0.981 -3.559) 3.708 5.517 ( 6.615 -0.600 -3.085) 7.324 5.848 ( 7.259 -5.371 0.325) 9.036 6.069 ( -2.502 2.464 -4.187) 5.465 6.379 ( -2.365 -1.062 -3.609) 4.444 6.842 ( -4.719 5.166 -5.711) 9.032 7.082 ( 5.207 0.100 -0.562) 5.239 9.220 ( 0.486 4.420 6.595) 7.954 9.645 ( -13.045 -5.193 14.056) 19.867 10.458 ( 7.169 -2.813 -14.925) 16.794 15.319 ( 4.442 -1.549 2.308) 5.240 15.506 ( -2.727 3.124 -1.772) 4.510 16.042 ( -0.086 3.010 2.949) 4.215 16.257 ( -1.741 -1.129 6.840) 7.148 16.504 ( 1.301 0.352 -1.031) 1.697 17.086 ( -0.557 -2.819 -6.953) 7.523 ======================= Grid point 339 (184/294) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -4.701 -3.477 -1.842) 6.131 1.807 ( 3.851 0.437 1.080) 4.023 2.146 ( -4.965 0.551 -8.190) 9.594 2.795 ( 1.153 0.204 2.573) 2.827 3.060 ( 1.788 1.112 3.278) 3.896 3.286 ( -1.868 -4.108 5.162) 6.856 4.204 ( -3.810 2.849 5.222) 7.065 4.491 ( -2.127 -3.775 -3.959) 5.869 5.015 ( 0.036 -3.499 -3.810) 5.173 5.573 ( 3.744 -0.063 -5.912) 6.998 5.945 ( 7.355 -2.913 0.137) 7.912 6.045 ( -0.346 4.056 -5.337) 6.712 6.325 ( -0.266 -0.053 -3.116) 3.128 6.754 ( -6.333 3.551 -6.070) 9.463 7.136 ( 1.661 0.401 -0.701) 1.846 9.289 ( 1.024 -7.656 11.563) 13.906 9.516 ( -9.272 6.081 10.208) 15.071 10.491 ( 8.585 -0.825 -13.267) 15.824 15.354 ( 0.961 -1.620 -3.228) 3.737 15.494 ( -0.885 1.475 3.831) 4.199 16.066 ( -1.565 0.246 3.759) 4.080 16.254 ( -2.673 0.277 6.079) 6.647 16.522 ( 0.756 0.720 -1.162) 1.562 17.038 ( 2.401 -1.113 -7.465) 7.921 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -8.908 -6.331 -2.953) 11.321 1.775 ( -9.861 -0.116 -3.119) 10.343 2.003 ( -4.333 -1.918 -4.064) 6.242 2.842 ( 2.026 -0.054 1.779) 2.697 3.093 ( 0.119 -1.361 2.679) 3.007 3.338 ( 5.804 0.654 6.016) 8.385 4.211 ( -2.042 2.285 5.401) 6.210 4.422 ( -1.787 0.072 -3.082) 3.564 4.956 ( 1.069 -5.473 -3.647) 6.663 5.561 ( -1.033 -0.471 -5.564) 5.679 5.987 ( -0.965 4.364 -3.517) 5.688 6.069 ( 5.924 -0.954 -8.138) 10.111 6.358 ( 3.865 1.078 0.941) 4.121 6.654 ( -4.691 3.172 -5.622) 7.980 7.137 ( -1.367 0.558 -0.676) 1.624 9.259 ( 0.329 -11.129 12.033) 16.394 9.576 ( -3.181 10.498 9.478) 14.497 10.549 ( 8.649 -0.668 -12.424) 15.153 15.293 ( -2.695 -0.739 -5.996) 6.615 15.535 ( 0.017 -1.028 7.943) 8.010 16.047 ( -1.902 -2.357 4.178) 5.161 16.247 ( -2.874 1.407 3.481) 4.728 16.522 ( -0.164 0.466 -1.918) 1.981 17.057 ( 4.737 1.321 -6.225) 7.933 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -11.355 -5.639 -0.933) 12.712 1.501 ( -18.630 1.989 -7.132) 20.047 1.903 ( -5.015 -6.948 5.061) 9.952 2.876 ( 1.449 -0.125 1.124) 1.838 3.087 ( -0.512 -1.697 2.276) 2.885 3.513 ( 10.069 1.251 3.066) 10.599 4.237 ( -2.824 3.229 6.329) 7.646 4.389 ( -1.536 0.880 -1.408) 2.261 4.925 ( 3.711 -3.584 -3.274) 6.110 5.469 ( -4.566 -2.064 -4.126) 6.491 5.976 ( -2.881 6.395 -6.060) 9.269 6.121 ( 6.023 0.453 -7.395) 9.548 6.421 ( 1.990 -1.448 2.776) 3.710 6.636 ( 2.424 4.664 -5.166) 7.370 7.100 ( -3.517 0.874 -0.624) 3.677 9.277 ( 4.479 -8.265 11.916) 15.178 9.666 ( -3.619 8.033 8.485) 12.232 10.605 ( 8.521 -1.008 -12.798) 15.408 15.204 ( -3.423 -0.164 -5.113) 6.155 15.541 ( -3.300 -3.101 8.528) 9.656 16.033 ( 0.455 -2.476 4.081) 4.795 16.223 ( -2.749 0.344 1.066) 2.969 16.508 ( -0.434 0.441 -2.108) 2.197 17.129 ( 5.035 3.541 -4.936) 7.890 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.004 1.104 16.594) 16.631 1.267 ( -8.698 1.544 16.135) 18.395 1.754 ( -2.939 10.693 17.394) 20.628 2.933 ( 0.791 -0.131 -2.091) 2.239 2.979 ( 1.283 -0.036 -3.003) 3.266 3.988 ( -0.560 -1.397 5.479) 5.682 4.048 ( 5.063 -2.845 -2.085) 6.170 4.375 ( -5.544 5.686 2.243) 8.252 5.336 ( 2.598 -6.642 3.131) 7.789 5.674 ( 9.281 -3.886 8.473) 13.155 5.779 ( -6.203 -2.147 2.335) 6.967 6.330 ( -3.066 -1.831 -2.866) 4.578 6.491 ( 2.666 -3.902 -9.331) 10.460 6.676 ( -0.233 -3.521 -3.270) 4.811 6.833 ( -3.279 2.902 -3.321) 5.496 9.126 ( 8.020 5.642 -4.216) 10.673 9.607 ( -8.776 7.843 -0.879) 11.803 11.100 ( 6.079 -12.422 -0.570) 13.842 15.130 ( -1.482 -1.713 3.257) 3.967 15.376 ( -1.504 7.561 4.139) 8.750 16.040 ( 2.686 3.159 -2.595) 4.892 16.134 ( -3.660 2.053 -0.799) 4.271 16.498 ( 0.073 -1.127 0.879) 1.431 17.353 ( 2.748 -8.159 -0.279) 8.614 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 2.825 1.709 16.969) 17.287 1.273 ( -3.033 0.487 17.376) 17.645 1.897 ( -1.763 8.328 11.999) 14.712 2.929 ( 0.031 0.286 -1.853) 1.876 2.984 ( 0.589 1.452 -3.122) 3.493 3.903 ( -2.995 -6.274 -1.570) 7.127 4.199 ( 8.138 3.170 5.445) 10.292 4.370 ( -3.121 5.417 1.729) 6.487 5.309 ( 0.685 -9.356 3.006) 9.851 5.581 ( -8.611 -6.557 6.028) 12.389 5.899 ( 7.695 -4.564 3.258) 9.521 6.116 ( -5.839 -4.906 -4.385) 8.797 6.530 ( 6.895 -2.616 -8.650) 11.366 6.623 ( -1.999 -2.087 -0.569) 2.946 6.833 ( 1.206 4.863 -3.047) 5.864 9.329 ( 9.235 8.747 -4.437) 13.472 9.528 ( -7.613 9.958 -4.223) 13.227 10.988 ( -2.516 -17.721 2.057) 18.017 15.119 ( 0.008 -1.923 3.247) 3.774 15.465 ( -0.671 9.113 4.292) 10.096 16.069 ( -3.190 3.121 -2.441) 5.087 16.121 ( 2.201 3.087 -1.190) 3.974 16.491 ( 0.210 -1.768 0.679) 1.905 17.302 ( 1.438 -9.344 -0.307) 9.459 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.199 3.731 14.349) 14.828 1.410 ( 7.457 -0.125 14.713) 16.495 1.985 ( -1.247 3.890 6.776) 7.912 2.922 ( -0.270 0.730 -0.705) 1.050 2.984 ( -0.769 2.281 -2.617) 3.556 3.772 ( -4.753 -6.422 -1.664) 8.161 4.384 ( -2.338 5.002 3.087) 6.326 4.400 ( 8.470 3.002 2.710) 9.386 5.210 ( -2.044 -12.052 1.668) 12.337 5.446 ( -5.478 -3.616 4.714) 8.081 5.804 ( -2.094 -10.528 -4.632) 11.692 6.134 ( 2.490 1.282 1.178) 3.038 6.535 ( -1.160 -2.167 -1.802) 3.048 6.613 ( 8.953 -3.748 -3.929) 10.471 6.898 ( 1.568 6.020 -2.835) 6.837 9.385 ( -8.538 11.433 -3.360) 14.659 9.625 ( 10.334 5.864 -3.412) 12.362 10.739 ( -8.317 -18.074 1.877) 19.984 15.136 ( 1.855 -1.745 3.189) 4.081 15.559 ( -1.412 9.291 2.750) 9.792 16.034 ( -2.608 3.480 -1.046) 4.473 16.188 ( 2.670 2.250 0.181) 3.496 16.480 ( 0.294 -1.955 0.191) 1.987 17.223 ( 0.058 -8.828 -1.699) 8.990 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 3.354 4.536 9.336) 10.908 1.630 ( 8.652 1.237 8.962) 12.518 2.016 ( 0.521 -1.410 3.464) 3.776 2.928 ( -0.256 1.020 0.105) 1.057 2.969 ( -1.938 2.523 -1.461) 3.501 3.613 ( -6.758 -6.045 -0.249) 9.070 4.390 ( -4.609 5.044 2.903) 7.424 4.543 ( 6.023 -1.710 -1.110) 6.359 5.077 ( -1.332 -9.475 0.273) 9.572 5.393 ( -0.813 -1.889 3.229) 3.829 5.691 ( 1.868 -7.499 -3.278) 8.395 6.141 ( -1.071 0.811 -3.148) 3.423 6.468 ( -3.016 -2.164 -0.877) 3.815 6.761 ( 12.856 -2.895 -0.200) 13.179 6.942 ( -0.512 5.147 -3.640) 6.325 9.343 ( -7.400 10.426 -0.180) 12.787 9.803 ( 6.755 1.924 1.469) 7.175 10.439 ( -8.360 -14.300 -2.878) 16.812 15.182 ( 3.406 -1.632 3.244) 4.979 15.607 ( -3.365 7.538 -0.737) 8.288 16.052 ( -0.652 5.144 2.141) 5.610 16.247 ( 1.995 0.615 2.456) 3.223 16.469 ( 0.617 -1.602 -0.364) 1.754 17.122 ( -0.832 -7.837 -3.954) 8.817 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 6.347 4.117 4.227) 8.666 1.756 ( 0.555 1.364 0.737) 1.646 2.056 ( 6.273 -4.295 2.621) 8.041 2.895 ( -4.646 2.138 -1.603) 5.360 2.989 ( 1.769 1.079 1.835) 2.768 3.452 ( -7.159 -4.998 2.454) 9.070 4.355 ( -4.856 0.825 1.400) 5.121 4.550 ( -0.186 -2.249 -1.983) 3.004 4.999 ( 0.806 -7.341 -1.475) 7.531 5.420 ( 3.263 0.612 -0.227) 3.328 5.690 ( 6.094 -4.032 -0.842) 7.356 6.109 ( -1.719 2.957 -4.356) 5.538 6.392 ( -2.879 -2.275 -1.275) 3.884 6.913 ( 0.768 2.006 -1.436) 2.584 6.945 ( 6.370 -1.060 -2.444) 6.905 9.338 ( -4.704 5.649 4.816) 8.788 9.852 ( -5.770 -1.702 9.354) 11.122 10.238 ( 2.827 -6.072 -11.993) 13.736 15.249 ( 4.098 -1.587 3.020) 5.333 15.590 ( -4.264 5.029 -2.708) 7.128 16.115 ( -1.109 5.629 4.437) 7.253 16.290 ( 0.776 -0.694 4.583) 4.700 16.473 ( 1.679 -0.420 -0.775) 1.896 17.011 ( -0.416 -6.459 -6.433) 9.126 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -1.159 0.747 0.157) 1.388 1.746 ( 2.297 -0.120 -1.035) 2.523 2.121 ( 3.215 -1.813 -3.290) 4.944 2.834 ( -3.596 1.861 0.144) 4.052 3.042 ( 2.526 -0.822 2.177) 3.434 3.337 ( -4.749 -3.013 5.375) 7.780 4.281 ( -2.660 -2.586 -0.519) 3.746 4.517 ( -3.247 2.668 0.709) 4.262 4.924 ( 0.948 -9.280 -2.537) 9.667 5.486 ( 4.006 3.054 -4.288) 6.615 5.784 ( 8.335 -1.718 -0.447) 8.522 6.094 ( -2.058 5.657 -4.849) 7.730 6.328 ( -1.716 -1.187 -0.806) 2.237 6.845 ( -5.700 1.694 -4.416) 7.407 7.054 ( 6.901 -2.472 -0.231) 7.334 9.318 ( -4.170 -5.008 9.016) 11.124 9.777 ( -8.733 6.129 8.061) 13.372 10.245 ( 9.547 -3.033 -12.028) 15.653 15.307 ( 2.551 -1.078 0.774) 2.875 15.552 ( -2.809 2.598 -0.464) 3.854 16.146 ( -3.425 1.883 5.511) 6.757 16.314 ( -0.750 0.276 4.020) 4.098 16.502 ( 1.749 0.480 -0.535) 1.891 16.931 ( 2.345 -3.655 -7.699) 8.839 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -9.274 -0.736 -0.401) 9.311 1.809 ( 3.059 -1.182 0.750) 3.364 2.049 ( -5.945 -0.094 -8.809) 10.627 2.834 ( 0.593 1.544 1.634) 2.325 3.069 ( 1.645 -3.113 1.824) 3.965 3.316 ( 0.608 -1.769 6.263) 6.536 4.246 ( 0.597 -0.348 0.565) 0.892 4.499 ( -4.432 5.016 1.457) 6.850 4.837 ( 1.813 -10.320 -2.195) 10.706 5.536 ( 1.249 3.448 -5.759) 6.827 5.897 ( 7.551 -0.051 -2.399) 7.923 6.077 ( -3.262 7.416 -6.869) 10.622 6.328 ( 1.843 0.948 1.196) 2.393 6.732 ( -5.909 0.465 -3.702) 6.988 7.112 ( 3.270 -2.097 -0.434) 3.909 9.236 ( -2.587 -10.221 9.901) 14.464 9.802 ( -5.186 11.118 7.191) 14.220 10.307 ( 9.846 -3.068 -11.025) 15.097 15.302 ( -1.697 0.530 -3.551) 3.971 15.559 ( 0.526 -0.529 5.079) 5.133 16.112 ( -4.533 -1.728 5.891) 7.631 16.312 ( -2.252 0.511 1.341) 2.670 16.513 ( 0.257 -0.154 -1.594) 1.622 16.946 ( 5.825 0.950 -5.891) 8.339 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -11.789 2.380 3.358) 12.486 1.743 ( -12.085 1.508 -4.505) 12.985 1.912 ( -2.000 -4.150 -1.452) 4.830 2.871 ( 0.672 1.407 1.195) 1.965 3.068 ( 1.013 -3.582 1.550) 4.032 3.387 ( 6.705 -2.790 3.738) 8.168 4.295 ( 1.930 2.020 3.667) 4.611 4.473 ( -5.027 3.983 0.632) 6.445 4.792 ( 4.550 -6.378 -0.963) 7.893 5.506 ( -3.624 1.625 -5.188) 6.534 5.987 ( 3.870 2.851 -8.456) 9.726 6.074 ( -0.675 8.772 -3.142) 9.342 6.387 ( 2.491 -0.008 1.394) 2.854 6.649 ( -2.324 1.824 -2.076) 3.611 7.120 ( 0.281 -1.642 -0.453) 1.726 9.199 ( 2.377 -9.283 10.569) 14.266 9.848 ( -4.724 5.837 4.928) 8.982 10.379 ( 9.193 -0.090 -10.404) 13.884 15.240 ( -3.591 1.609 -4.370) 5.880 15.591 ( -0.236 -2.877 7.562) 8.094 16.058 ( -3.060 -2.493 5.305) 6.612 16.264 ( -2.938 -1.490 -1.262) 3.528 16.503 ( 0.046 0.392 -2.016) 2.055 17.045 ( 6.411 3.950 -3.939) 8.498 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -6.557 4.951 11.488) 14.123 1.497 ( -7.228 0.874 12.584) 14.538 1.993 ( -4.112 9.015 11.254) 14.994 2.917 ( 0.357 0.161 -1.043) 1.114 2.929 ( 2.271 -0.446 -2.432) 3.358 3.867 ( 8.211 -6.699 -3.115) 11.045 4.027 ( 0.406 0.870 6.644) 6.713 4.555 ( -8.432 3.979 1.048) 9.382 5.221 ( 5.343 -8.446 2.824) 10.385 5.557 ( 6.629 1.846 4.126) 8.023 5.888 ( -6.984 -2.009 -0.486) 7.284 6.312 ( 5.107 4.379 -0.286) 6.733 6.378 ( -4.004 -10.041 -9.568) 14.436 6.633 ( -1.023 -3.113 -3.789) 5.010 6.903 ( -5.016 0.419 -1.919) 5.387 9.068 ( 3.781 6.207 -1.391) 7.400 9.763 ( -2.412 1.645 6.263) 6.910 10.863 ( 7.806 -7.772 -7.190) 13.155 15.174 ( -3.074 -1.182 3.456) 4.774 15.485 ( -0.554 7.547 1.745) 7.766 16.017 ( 2.216 3.535 -1.424) 4.409 16.203 ( -2.301 1.339 1.623) 3.117 16.490 ( -0.191 -1.331 0.197) 1.359 17.231 ( 2.128 -7.883 -1.550) 8.310 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -0.200 3.440 14.777) 15.174 1.468 ( -6.969 0.105 15.238) 16.757 2.056 ( -2.891 5.697 5.413) 8.374 2.918 ( 0.404 0.677 -1.689) 1.864 2.960 ( 2.173 1.780 -1.959) 3.425 3.843 ( 1.216 -7.137 -3.083) 7.869 4.155 ( 5.436 3.677 6.373) 9.148 4.480 ( -4.656 2.579 1.044) 5.424 5.207 ( 1.876 -11.218 3.129) 11.796 5.690 ( -1.515 -3.307 7.181) 8.050 5.783 ( 1.417 -0.291 0.244) 1.467 6.102 ( -6.020 -10.001 -8.510) 14.445 6.370 ( 3.199 -3.091 -6.123) 7.568 6.641 ( 0.002 1.150 0.777) 1.388 6.847 ( -0.646 2.556 -2.011) 3.316 9.233 ( 8.281 8.965 -2.075) 12.379 9.729 ( -7.460 5.798 -0.398) 9.457 10.824 ( 3.528 -14.550 -2.543) 15.186 15.138 ( -1.969 -1.677 3.501) 4.352 15.578 ( 0.432 9.590 1.871) 9.780 16.089 ( 2.392 4.620 -0.929) 5.285 16.169 ( -4.043 2.533 -0.795) 4.837 16.473 ( -0.002 -2.173 0.436) 2.216 17.175 ( 2.271 -10.402 -0.233) 10.650 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 2.992 2.857 14.158) 14.750 1.464 ( -3.548 -1.252 15.850) 16.291 2.066 ( -2.282 1.858 0.041) 2.943 2.922 ( 0.442 0.618 -1.330) 1.531 2.999 ( 0.605 3.642 -1.856) 4.132 3.765 ( -1.940 -4.667 -2.168) 5.500 4.307 ( 6.219 1.428 3.882) 7.469 4.470 ( -0.867 2.595 1.439) 3.092 5.111 ( -0.482 -14.285 1.901) 14.419 5.578 ( -8.944 -0.817 5.116) 10.336 5.743 ( -3.915 -8.014 -3.101) 9.443 6.056 ( 7.281 -2.520 1.478) 7.845 6.363 ( 7.450 -4.242 -7.417) 11.336 6.598 ( -4.504 -1.474 0.778) 4.802 6.908 ( 2.564 5.792 -1.394) 6.485 9.449 ( 9.267 7.436 -1.252) 11.948 9.651 ( -7.848 8.240 -3.860) 12.017 10.674 ( -2.772 -16.685 -0.233) 16.915 15.126 ( -0.129 -1.615 3.529) 3.884 15.683 ( -0.479 10.442 0.408) 10.460 16.114 ( -3.492 3.574 -0.521) 5.024 16.174 ( 1.956 3.777 -0.060) 4.254 16.456 ( 0.254 -2.414 0.426) 2.464 17.106 ( 1.777 -11.125 -0.567) 11.281 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -0.747 2.157 11.583) 11.805 1.560 ( 6.661 -1.357 12.197) 13.963 2.022 ( -2.026 -1.522 -2.935) 3.877 2.931 ( 0.698 0.543 -0.285) 0.929 3.018 ( -1.472 4.054 -1.848) 4.692 3.668 ( -4.948 -2.740 -0.415) 5.672 4.405 ( 4.503 -3.637 -0.320) 5.797 4.498 ( 0.051 3.580 0.484) 3.613 4.980 ( 0.123 -13.464 1.533) 13.551 5.482 ( -6.889 1.357 5.333) 8.817 5.610 ( -1.477 -5.568 -2.110) 6.135 6.110 ( 2.160 -2.356 -1.667) 3.605 6.488 ( 14.055 -4.991 -2.180) 15.073 6.510 ( -3.544 -1.009 0.389) 3.705 6.977 ( 0.339 5.172 -1.765) 5.476 9.557 ( -7.043 7.560 1.795) 10.487 9.679 ( 8.926 5.103 -4.733) 11.319 10.438 ( -7.528 -14.274 -0.585) 16.148 15.146 ( 1.762 -1.529 3.755) 4.420 15.734 ( -3.776 8.995 -3.526) 10.373 16.127 ( -0.077 5.498 2.524) 6.050 16.236 ( 1.395 2.241 1.651) 3.114 16.443 ( 0.435 -2.082 0.358) 2.157 17.016 ( 0.720 -10.793 -2.347) 11.068 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 1.964 1.309 7.218) 7.594 1.731 ( 6.475 0.455 5.056) 8.227 1.956 ( 0.350 -4.269 -1.883) 4.679 2.950 ( 0.364 0.997 0.092) 1.066 3.005 ( -2.608 2.653 -1.342) 3.955 3.552 ( -7.097 -1.714 1.753) 7.508 4.361 ( -1.188 -7.011 -2.529) 7.547 4.552 ( 1.488 4.021 -0.660) 4.338 4.888 ( 1.365 -11.297 0.160) 11.380 5.448 ( -3.277 3.396 3.805) 6.062 5.582 ( 3.065 -2.089 0.345) 3.725 6.106 ( 1.335 0.342 -3.477) 3.740 6.418 ( -3.628 -2.896 0.307) 4.652 6.695 ( 14.552 -3.914 -0.105) 15.070 6.985 ( -2.678 3.109 -2.595) 4.856 9.512 ( -7.237 4.219 3.511) 9.083 9.837 ( 8.249 1.691 -1.833) 8.618 10.192 ( -8.234 -7.188 -2.442) 11.200 15.196 ( 3.168 -1.502 4.050) 5.357 15.697 ( -5.436 6.284 -5.825) 10.147 16.226 ( -0.042 7.881 5.569) 9.650 16.279 ( 1.590 -0.421 2.541) 3.027 16.440 ( 1.128 -1.000 0.090) 1.510 16.904 ( 0.175 -9.689 -4.762) 10.797 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 4.667 0.749 2.856) 5.523 1.763 ( -3.670 1.840 -1.878) 4.515 1.989 ( 7.617 -4.361 0.461) 8.789 2.928 ( -4.880 3.359 -1.439) 6.097 3.001 ( 1.777 -1.643 1.066) 2.645 3.437 ( -6.647 -1.890 3.459) 7.727 4.262 ( -1.414 -4.784 -1.743) 5.284 4.599 ( -0.519 4.801 -0.310) 4.839 4.795 ( 0.986 -11.733 -1.622) 11.885 5.481 ( -0.110 5.780 0.913) 5.853 5.657 ( 6.173 0.195 0.797) 6.228 6.126 ( 1.134 3.719 -3.485) 5.221 6.345 ( -2.549 -2.195 0.598) 3.417 6.869 ( 11.645 -4.196 -0.366) 12.383 6.920 ( -5.172 0.541 -2.844) 5.927 9.420 ( -7.740 -4.181 5.345) 10.293 9.956 ( 4.304 3.973 0.223) 5.862 10.048 ( -2.504 -0.625 -3.934) 4.705 15.261 ( 3.307 -1.305 3.680) 5.117 15.628 ( -4.641 4.137 -5.147) 8.071 16.261 ( -3.920 -0.109 6.931) 7.964 16.339 ( 0.819 3.164 2.033) 3.849 16.471 ( 2.407 0.871 -0.044) 2.560 16.806 ( 2.170 -6.260 -6.393) 9.207 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -3.686 2.936 2.026) 5.129 1.732 ( 2.003 0.402 -0.620) 2.135 2.034 ( 1.961 -2.216 -5.067) 5.867 2.882 ( -3.089 2.936 0.410) 4.282 3.018 ( 1.829 -2.942 1.127) 3.643 3.347 ( -3.611 -3.921 3.472) 6.361 4.232 ( 0.904 0.450 0.700) 1.229 4.611 ( -2.791 3.750 -3.138) 5.630 4.701 ( 1.720 -10.296 1.305) 10.519 5.543 ( 0.023 6.569 -1.516) 6.742 5.778 ( 7.130 1.957 -0.400) 7.404 6.151 ( -1.433 6.660 -5.289) 8.625 6.322 ( 0.692 -0.410 2.314) 2.449 6.806 ( -6.040 -1.273 -2.469) 6.649 6.988 ( 8.113 -4.074 -0.427) 9.089 9.271 ( -6.327 -8.089 5.393) 11.599 9.999 ( -3.242 1.509 0.125) 3.578 10.088 ( 6.970 5.174 -2.733) 9.100 15.306 ( 0.744 -0.063 0.871) 1.147 15.581 ( -1.561 1.416 -1.099) 2.377 16.212 ( -5.049 -3.103 7.064) 9.221 16.351 ( -2.194 0.598 -0.664) 2.369 16.492 ( 0.676 -0.969 -1.247) 1.718 16.824 ( 6.603 1.635 -4.242) 8.017 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -9.671 7.509 5.619) 13.472 1.785 ( 3.523 -2.012 0.622) 4.105 1.942 ( -6.376 -0.058 -8.156) 10.353 2.894 ( -0.129 2.976 1.186) 3.206 3.019 ( 1.358 -3.700 1.127) 4.099 3.295 ( 1.526 -6.329 2.093) 6.838 4.297 ( 2.497 2.702 3.442) 5.038 4.537 ( -1.445 -2.982 -4.995) 5.994 4.702 ( 1.851 -0.459 3.595) 4.069 5.562 ( -2.985 4.995 -2.636) 6.388 5.906 ( 5.508 3.939 -2.992) 7.403 6.154 ( -1.777 8.441 -5.591) 10.279 6.368 ( 1.665 1.005 1.992) 2.784 6.701 ( -3.721 -0.532 0.000) 3.759 7.052 ( 4.703 -3.571 -0.577) 5.934 9.163 ( -1.485 -7.868 6.384) 10.240 9.926 ( -2.401 -6.778 -2.096) 7.490 10.255 ( 5.502 11.068 -1.825) 12.494 15.290 ( -2.700 1.977 -2.550) 4.207 15.591 ( 1.288 -1.806 3.865) 4.456 16.136 ( -4.955 -3.696 6.315) 8.837 16.279 ( -3.318 -2.873 -3.126) 5.388 16.491 ( 0.673 0.381 -1.139) 1.377 16.955 ( 7.113 4.998 -2.703) 9.104 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -10.583 7.338 6.400) 14.380 1.655 ( -3.737 0.458 8.549) 9.341 2.160 ( -3.090 3.391 2.774) 5.361 2.860 ( 3.636 -0.003 -0.268) 3.646 2.930 ( -1.322 0.577 -0.472) 1.518 3.649 ( 9.626 -6.203 0.189) 11.453 4.067 ( 0.430 0.675 6.374) 6.424 4.700 ( -6.620 0.943 -2.387) 7.100 5.047 ( 7.138 -8.387 0.527) 11.026 5.561 ( -0.621 5.110 1.209) 5.288 5.934 ( -2.890 -0.916 -5.114) 5.945 6.275 ( 5.283 5.090 2.146) 7.643 6.311 ( -3.909 -7.891 -7.592) 11.627 6.607 ( -2.830 -4.491 -4.041) 6.672 6.973 ( -5.061 -1.414 -0.879) 5.328 9.102 ( -0.043 6.632 2.263) 7.008 9.778 ( 6.220 -4.490 13.795) 15.784 10.652 ( 3.595 -2.235 -14.683) 15.281 15.246 ( -4.192 -0.952 4.070) 5.920 15.541 ( 1.588 6.211 -2.440) 6.859 16.025 ( 1.121 4.232 1.284) 4.562 16.247 ( 0.077 -0.224 4.923) 4.928 16.484 ( -0.684 -1.085 -0.476) 1.368 17.125 ( 0.524 -6.418 -4.080) 7.623 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -5.727 5.237 10.349) 12.936 1.649 ( -4.992 0.221 11.543) 12.578 2.135 ( -1.788 -0.247 -2.473) 3.062 2.914 ( -0.489 0.469 -1.341) 1.502 2.932 ( 3.164 2.954 0.412) 4.348 3.708 ( 5.537 -6.253 -0.952) 8.406 4.161 ( 3.172 3.523 6.730) 8.232 4.565 ( -5.769 -1.909 -2.839) 6.708 5.080 ( 4.166 -9.809 2.982) 11.067 5.645 ( 4.945 2.910 2.939) 6.447 5.838 ( -4.375 -0.806 -4.040) 6.009 6.046 ( -7.062 -10.901 -9.695) 16.208 6.322 ( -2.508 -3.104 0.853) 4.081 6.639 ( 4.188 4.401 1.137) 6.181 6.882 ( -3.435 -0.552 -0.731) 3.555 9.218 ( 3.782 8.818 1.022) 9.649 9.847 ( -1.734 -0.839 6.473) 6.754 10.600 ( 5.077 -8.670 -10.104) 14.250 15.191 ( -3.675 -1.616 3.896) 5.594 15.633 ( 3.011 8.128 -2.585) 9.045 16.108 ( 1.654 6.129 2.116) 6.691 16.248 ( -2.913 1.409 1.533) 3.581 16.459 ( -0.502 -1.923 0.161) 1.994 17.043 ( 1.277 -9.891 -1.979) 10.168 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -0.336 2.475 11.743) 12.005 1.629 ( -6.159 -1.500 13.959) 15.331 2.075 ( -0.853 -1.999 -6.395) 6.754 2.908 ( 0.449 0.371 -1.850) 1.939 3.011 ( 1.877 4.557 -0.122) 4.930 3.715 ( 2.166 -3.194 -1.750) 4.237 4.276 ( 2.646 1.757 4.697) 5.670 4.481 ( -0.168 -2.580 -0.766) 2.696 5.012 ( -1.437 -11.799 2.225) 12.093 5.732 ( -5.394 0.785 2.567) 6.025 5.734 ( -3.433 -4.709 -1.674) 6.063 5.888 ( 7.706 -3.393 -3.163) 8.995 6.236 ( -1.592 -4.865 -1.989) 5.492 6.668 ( -4.215 -0.689 1.456) 4.512 6.906 ( 3.386 5.162 -0.051) 6.174 9.386 ( 6.415 8.055 0.395) 10.305 9.808 ( -5.635 2.350 0.823) 6.161 10.520 ( 2.437 -12.105 -5.955) 13.709 15.151 ( -2.081 -1.616 3.816) 4.637 15.746 ( 3.054 9.035 -3.988) 10.337 16.200 ( -2.625 3.133 1.792) 4.463 16.212 ( -0.938 5.995 0.786) 6.119 16.436 ( -0.168 -2.247 0.646) 2.344 16.962 ( 2.094 -11.972 -0.457) 12.162 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 3.261 0.428 10.000) 10.527 1.595 ( -4.627 -3.859 13.989) 15.232 2.001 ( -0.822 -1.966 -7.333) 7.636 2.914 ( 1.138 0.309 -1.414) 1.841 3.067 ( -0.267 5.128 -1.336) 5.306 3.698 ( -0.951 -0.808 -1.579) 2.012 4.318 ( 1.665 -2.621 0.460) 3.139 4.493 ( 2.623 -1.542 1.005) 3.204 4.878 ( -2.004 -11.345 1.700) 11.646 5.600 ( -4.042 -4.174 -1.439) 5.986 5.663 ( -6.882 3.034 4.836) 8.941 6.020 ( 6.141 -3.697 2.803) 7.697 6.214 ( 8.982 -3.915 -4.314) 10.706 6.577 ( -5.302 -1.761 0.757) 5.638 7.003 ( 1.685 5.007 -0.142) 5.285 9.565 ( 7.303 5.449 -0.052) 9.112 9.740 ( -6.198 3.201 0.285) 6.981 10.384 ( -1.916 -10.385 -4.718) 11.566 15.142 ( -0.083 -1.562 4.045) 4.337 15.827 ( -0.341 8.788 -7.216) 11.376 16.168 ( -0.992 2.648 -1.014) 3.004 16.297 ( -0.756 6.281 5.589) 8.442 16.423 ( 0.274 -1.668 1.134) 2.036 16.877 ( 1.713 -12.543 -0.704) 12.679 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -1.900 -1.718 8.516) 8.893 1.634 ( 6.737 -4.299 8.720) 11.828 1.932 ( -1.553 -0.277 -5.199) 5.433 2.933 ( 1.527 0.158 -0.463) 1.604 3.078 ( -2.760 4.633 -2.197) 5.824 3.642 ( -4.274 -0.815 -1.267) 4.532 4.294 ( -0.005 -4.976 -0.640) 5.017 4.532 ( 3.170 -0.068 0.171) 3.175 4.771 ( -0.219 -9.803 0.273) 9.809 5.530 ( -1.024 -0.910 0.515) 1.463 5.635 ( -5.834 5.284 7.351) 10.770 6.044 ( 2.529 -2.644 -0.682) 3.722 6.365 ( 11.957 -6.463 0.263) 13.594 6.502 ( -0.739 0.028 -0.934) 1.191 7.037 ( -1.677 2.782 -1.044) 3.412 9.657 ( -4.948 1.777 -3.804) 6.489 9.720 ( 5.317 0.263 4.860) 7.208 10.237 ( -4.351 -2.755 -3.911) 6.467 15.167 ( 1.826 -1.613 4.545) 5.157 15.802 ( -4.942 6.724 -9.164) 12.393 16.220 ( 4.086 2.245 -0.873) 4.743 16.365 ( -1.537 4.874 5.918) 7.819 16.430 ( -0.082 0.846 2.594) 2.730 16.773 ( 0.812 -11.985 -1.974) 12.174 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 1.316 -3.050 4.657) 5.720 1.769 ( 8.382 -2.458 3.503) 9.412 1.889 ( -2.124 1.649 -1.477) 3.068 2.958 ( 1.638 -0.325 0.077) 1.672 3.040 ( -4.812 3.506 -2.110) 6.316 3.531 ( -6.122 -3.075 -1.283) 6.970 4.244 ( -1.186 -2.268 1.057) 2.769 4.595 ( 3.913 0.454 -0.095) 3.941 4.674 ( -0.527 -8.582 -2.813) 9.046 5.560 ( 1.981 3.640 2.139) 4.664 5.652 ( -3.749 5.587 6.370) 9.265 6.081 ( 4.381 -0.247 -0.943) 4.488 6.369 ( -1.860 -3.587 1.721) 4.391 6.618 ( 13.069 -2.861 -1.754) 13.493 6.990 ( -4.686 0.051 -1.662) 4.972 9.523 ( -7.666 -4.638 -1.393) 9.067 9.824 ( 5.997 -1.768 0.860) 6.311 10.174 ( -3.965 6.826 -0.641) 7.920 15.221 ( 3.091 -1.726 5.005) 6.130 15.713 ( -5.546 4.947 -8.745) 11.477 16.283 ( 2.070 -1.372 1.314) 2.809 16.403 ( -0.553 1.696 2.447) 3.028 16.470 ( -0.713 3.903 1.504) 4.243 16.680 ( 1.894 -7.481 -1.145) 7.802 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 5.166 -3.273 0.594) 6.144 1.859 ( -5.236 8.761 2.401) 10.485 1.897 ( 7.712 -5.216 -1.023) 9.366 2.972 ( -0.917 -1.413 0.568) 1.778 2.982 ( -2.641 3.216 -1.345) 4.374 3.383 ( -5.474 -6.136 -1.212) 8.311 4.246 ( 0.202 2.174 2.840) 3.582 4.561 ( -0.649 -8.975 -2.851) 9.439 4.658 ( 2.457 2.201 -1.599) 3.666 5.657 ( -3.162 9.269 4.764) 10.891 5.702 ( 4.777 2.842 1.176) 5.681 6.159 ( 3.805 2.759 -1.339) 4.887 6.331 ( -0.842 -0.985 2.356) 2.688 6.779 ( 11.507 -3.703 -1.887) 12.234 6.878 ( -6.142 -2.509 -0.961) 6.704 9.332 ( -7.540 -6.258 -1.975) 9.995 9.878 ( 4.098 -6.086 0.322) 7.344 10.220 ( -2.132 12.659 1.375) 12.911 15.285 ( 2.825 -1.481 4.540) 5.549 15.625 ( -3.981 3.245 -6.808) 8.528 16.268 ( -2.109 -4.616 3.772) 6.323 16.391 ( -3.054 -1.154 -2.064) 3.862 16.460 ( 0.967 -1.408 -0.817) 1.893 16.737 ( 5.344 4.350 1.354) 7.022 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 6.199 -3.529 -1.242) 7.240 1.852 ( -4.866 4.850 2.267) 7.235 1.952 ( 0.325 3.435 -1.252) 3.670 2.943 ( -1.608 1.433 1.320) 2.526 2.982 ( 0.199 -0.488 -0.752) 0.918 3.240 ( -2.624 -8.198 -0.795) 8.644 4.307 ( 1.441 0.533 3.806) 4.104 4.471 ( 0.091 -2.559 -3.606) 4.423 4.702 ( 2.082 1.572 -0.825) 2.736 5.678 ( -4.578 6.745 1.804) 8.349 5.849 ( 5.570 5.267 0.459) 7.679 6.207 ( -0.112 5.258 -4.494) 6.918 6.370 ( 1.900 1.755 3.669) 4.489 6.756 ( -4.324 -2.002 0.671) 4.812 6.900 ( 8.648 -4.227 -0.916) 9.670 9.165 ( -4.316 -5.920 -1.056) 7.402 9.835 ( -0.100 -10.739 0.628) 10.757 10.345 ( 0.522 14.832 0.208) 14.842 15.322 ( -0.049 0.231 1.579) 1.597 15.578 ( -0.394 0.345 -2.348) 2.406 16.186 ( -3.216 -6.004 1.387) 6.951 16.296 ( -3.942 -3.355 -0.815) 5.240 16.479 ( 1.095 0.585 0.484) 1.332 16.890 ( 6.000 6.577 -0.308) 8.907 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -8.434 7.635 2.812) 11.719 1.732 ( -1.512 0.476 4.764) 5.020 2.151 ( 1.337 -5.849 -7.267) 9.424 2.834 ( 2.078 3.339 2.801) 4.828 2.965 ( -2.366 0.082 1.097) 2.609 3.459 ( 8.463 -5.009 3.414) 10.410 4.102 ( 0.685 1.002 6.225) 6.342 4.739 ( 2.020 0.810 -3.803) 4.382 4.877 ( 0.039 -9.558 -3.861) 10.309 5.644 ( -2.306 5.128 -2.348) 6.093 5.953 ( -4.313 0.596 -3.651) 5.682 6.240 ( 8.161 7.079 4.063) 11.542 6.275 ( -5.526 -5.412 -9.426) 12.193 6.581 ( -2.054 -5.030 -4.275) 6.913 7.025 ( -4.064 -2.934 -0.118) 5.014 9.197 ( -1.801 3.467 5.361) 6.633 9.675 ( 10.883 -3.197 15.869) 19.506 10.541 ( -2.128 0.100 -16.375) 16.513 15.336 ( -4.684 -1.093 5.033) 6.961 15.521 ( 3.619 4.290 -5.819) 8.085 16.070 ( 0.594 4.813 3.371) 5.906 16.249 ( 2.741 -2.384 7.527) 8.358 16.487 ( -1.259 -0.727 -1.112) 1.830 17.052 ( -1.549 -3.902 -6.561) 7.789 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -9.553 6.517 5.509) 12.810 1.759 ( -1.054 0.614 7.263) 7.365 2.066 ( 1.667 -6.985 -8.909) 11.443 2.921 ( 1.748 2.331 1.466) 3.261 2.934 ( -0.914 1.742 0.267) 1.985 3.554 ( 7.099 -5.334 2.490) 9.223 4.187 ( 2.384 3.396 6.141) 7.412 4.598 ( -6.324 -5.787 -5.783) 10.340 4.917 ( 8.221 -6.033 0.587) 10.214 5.655 ( -0.221 4.777 -1.617) 5.048 5.848 ( -4.469 -2.116 -6.285) 7.997 6.036 ( -7.811 -7.296 -6.076) 12.294 6.363 ( -2.077 -0.989 3.139) 3.892 6.606 ( 6.297 5.635 0.955) 8.504 6.930 ( -4.208 -2.533 0.298) 4.920 9.265 ( 1.593 5.186 4.024) 6.755 9.853 ( 4.116 -3.548 12.141) 13.301 10.415 ( 0.785 -2.996 -16.093) 16.388 15.270 ( -4.886 -1.778 4.349) 6.779 15.605 ( 4.951 5.827 -5.792) 9.592 16.167 ( 1.490 7.016 4.336) 8.381 16.296 ( 0.064 -0.901 4.831) 4.915 16.456 ( -0.896 -1.186 -0.291) 1.514 16.938 ( -1.310 -7.488 -5.159) 9.187 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -5.816 2.848 7.441) 9.865 1.775 ( -3.834 -0.948 10.547) 11.263 1.979 ( 2.042 -5.439 -9.970) 11.539 2.900 ( -0.750 -0.173 -1.532) 1.714 3.020 ( 2.693 4.479 0.909) 5.305 3.619 ( 5.091 -3.150 -0.554) 6.012 4.296 ( 2.315 2.793 5.770) 6.816 4.437 ( -2.511 -6.394 -3.445) 7.685 4.947 ( 1.517 -6.987 1.627) 7.332 5.693 ( 0.155 -3.775 -8.879) 9.650 5.730 ( 2.415 1.734 -0.331) 2.992 5.864 ( -6.570 -2.289 0.917) 7.017 6.282 ( -6.132 -2.642 2.762) 7.226 6.728 ( -1.395 0.700 2.456) 2.910 6.898 ( 2.538 3.335 0.841) 4.274 9.385 ( 4.071 5.798 3.074) 7.723 9.884 ( -2.326 -2.642 5.528) 6.554 10.329 ( 3.461 -5.514 -12.076) 13.719 15.206 ( -3.776 -1.785 4.058) 5.823 15.712 ( 5.557 6.477 -6.870) 10.956 16.274 ( -1.285 1.638 4.268) 4.748 16.304 ( -0.635 7.613 1.706) 7.827 16.430 ( -0.931 -1.507 0.591) 1.867 16.823 ( 0.520 -10.871 -1.973) 11.060 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -0.933 -1.238 7.348) 7.509 1.734 ( -6.501 -4.393 12.379) 14.656 1.925 ( 2.154 -1.448 -8.408) 8.799 2.889 ( 0.788 0.167 -2.026) 2.180 3.100 ( 1.463 4.734 -0.562) 4.986 3.651 ( 3.182 -1.588 -4.001) 5.353 4.319 ( -2.649 -1.894 2.498) 4.104 4.408 ( 4.555 -3.108 1.078) 5.619 4.866 ( -4.181 -6.269 2.139) 7.833 5.599 ( -0.565 -3.801 -4.243) 5.724 5.775 ( -3.799 -0.631 3.030) 4.900 5.864 ( 9.445 0.549 0.763) 9.491 6.176 ( -5.961 -1.374 2.505) 6.610 6.652 ( -5.539 -2.521 1.383) 6.241 7.013 ( 3.205 4.841 1.246) 5.937 9.526 ( 4.892 5.012 1.783) 7.227 9.827 ( -3.833 -2.827 2.284) 5.282 10.268 ( 2.183 -4.022 -8.843) 9.957 15.167 ( -1.956 -1.739 4.165) 4.919 15.812 ( 4.547 6.630 -9.005) 12.072 16.226 ( -4.287 1.544 -1.707) 4.866 16.405 ( -1.348 1.586 3.050) 3.692 16.423 ( 1.041 5.681 3.414) 6.709 16.730 ( 1.570 -12.576 1.174) 12.727 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 3.719 -4.115 5.537) 7.837 1.642 ( -6.200 -7.272 11.206) 14.727 1.921 ( 1.102 2.906 -4.383) 5.373 2.903 ( 1.734 0.448 -1.500) 2.336 3.141 ( -0.941 4.512 -2.082) 5.058 3.636 ( 0.475 -2.233 -6.072) 6.487 4.282 ( -1.458 -1.473 1.790) 2.739 4.454 ( 4.068 -3.780 1.779) 5.830 4.753 ( -4.810 -4.271 2.061) 6.755 5.549 ( -1.347 -0.978 0.851) 1.869 5.772 ( 0.188 1.724 3.862) 4.234 6.000 ( 3.533 -2.818 4.341) 6.266 6.138 ( 4.306 -0.222 -0.112) 4.313 6.550 ( -4.725 -1.814 0.301) 5.070 7.076 ( -0.365 2.507 0.248) 2.546 9.639 ( 2.901 4.524 -3.473) 6.399 9.742 ( -2.847 -7.078 4.390) 8.802 10.235 ( 0.525 2.433 -5.305) 5.860 15.162 ( 0.136 -1.834 4.620) 4.973 15.849 ( -0.447 5.927 -11.371) 12.830 16.187 ( 0.184 1.428 -2.154) 2.591 16.404 ( -0.050 -0.785 2.187) 2.324 16.513 ( -0.527 5.921 1.127) 6.051 16.653 ( 0.472 -10.442 5.943) 12.024 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -2.891 -6.514 5.893) 9.248 1.601 ( 7.343 -7.855 5.170) 11.931 1.958 ( -0.430 6.761 -0.638) 6.805 2.929 ( 1.675 0.300 -0.833) 1.895 3.127 ( -3.389 3.169 -2.555) 5.297 3.548 ( -3.128 -3.683 -6.576) 8.160 4.265 ( -0.962 0.029 1.391) 1.692 4.495 ( 4.679 -5.424 1.971) 7.429 4.661 ( -4.268 -0.683 0.436) 4.344 5.565 ( 1.409 2.238 2.916) 3.937 5.835 ( -1.660 5.328 6.866) 8.847 6.007 ( 1.164 -1.849 2.663) 3.445 6.269 ( 9.661 -4.998 2.794) 11.230 6.490 ( -0.259 0.987 -2.486) 2.688 7.051 ( -3.808 -0.256 -0.690) 3.878 9.561 ( -6.049 -3.580 -7.452) 10.244 9.752 ( 3.820 -2.956 4.628) 6.690 10.273 ( -0.221 8.262 -0.712) 8.295 15.191 ( 2.048 -2.103 5.270) 6.033 15.783 ( -4.461 4.414 -11.216) 12.852 16.225 ( 3.723 0.326 -1.687) 4.101 16.415 ( 0.360 -0.127 2.194) 2.227 16.475 ( -0.847 -6.046 -6.412) 8.854 16.674 ( -0.798 2.590 11.568) 11.882 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 1.345 -7.191 2.218) 7.645 1.695 ( 9.605 -7.690 1.716) 12.423 2.020 ( -1.787 9.227 1.961) 9.601 2.947 ( 0.961 -0.378 -0.509) 1.151 3.072 ( -4.122 1.778 -1.952) 4.895 3.399 ( -5.692 -4.541 -5.576) 9.171 4.271 ( 0.658 0.054 1.101) 1.284 4.503 ( 0.477 -5.158 2.779) 5.878 4.628 ( -0.162 2.864 -2.667) 3.917 5.661 ( 4.324 3.527 2.310) 6.039 5.873 ( -6.107 8.239 7.755) 12.858 6.082 ( 6.655 -0.093 2.471) 7.100 6.328 ( 1.939 -4.461 4.426) 6.577 6.564 ( 9.190 1.029 -3.747) 9.977 6.949 ( -6.138 -2.695 -0.798) 6.751 9.365 ( -6.956 -4.481 -8.597) 11.932 9.797 ( 2.282 -4.903 4.817) 7.242 10.361 ( -0.556 11.705 0.712) 11.740 15.247 ( 3.217 -2.416 5.757) 7.024 15.679 ( -4.629 3.194 -9.868) 11.358 16.251 ( 0.473 -3.835 0.104) 3.866 16.360 ( -0.338 -5.184 -6.726) 8.498 16.439 ( 1.004 0.305 1.791) 2.076 16.773 ( 0.538 5.951 8.304) 10.230 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 5.916 -6.265 -1.526) 8.751 1.768 ( 7.198 -6.766 -0.962) 9.926 2.095 ( -1.665 9.513 3.319) 10.212 2.941 ( -0.183 -2.108 -0.300) 2.137 3.022 ( -2.354 1.708 -1.452) 3.251 3.234 ( -6.011 -3.954 -2.933) 7.770 4.277 ( 1.132 -5.099 1.292) 5.380 4.497 ( -1.512 5.130 2.067) 5.733 4.649 ( 2.777 0.519 -4.101) 4.980 5.753 ( 2.681 1.290 -0.510) 3.019 5.918 ( -3.978 9.706 7.331) 12.798 6.194 ( 3.775 2.122 -0.897) 4.423 6.373 ( 3.120 0.721 5.566) 6.421 6.704 ( 9.621 -0.571 -3.063) 10.113 6.818 ( -5.279 -3.514 1.543) 6.527 9.170 ( -5.531 -4.079 -8.410) 10.861 9.776 ( -1.266 -9.045 6.333) 11.114 10.476 ( -0.119 13.902 -0.826) 13.927 15.309 ( 2.854 -2.227 5.289) 6.409 15.587 ( -2.924 1.757 -7.749) 8.466 16.159 ( -2.381 -6.654 -3.463) 7.870 16.306 ( -0.727 -3.177 -0.073) 3.260 16.473 ( 1.187 0.751 1.539) 2.083 16.895 ( 2.417 7.012 3.890) 8.375 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 5.514 1.801 -0.297) 5.808 1.808 ( 1.342 -2.878 -1.529) 3.524 2.003 ( -1.611 -3.438 -6.836) 7.820 2.869 ( 0.406 3.430 2.479) 4.252 3.022 ( -3.226 -0.137 2.973) 4.389 3.331 ( 4.860 -3.850 4.844) 7.868 4.139 ( 0.857 1.682 6.038) 6.327 4.614 ( 7.853 -0.044 -4.078) 8.849 4.839 ( -7.091 -8.337 -6.532) 12.746 5.676 ( 0.331 2.497 -3.246) 4.109 6.020 ( -1.711 3.188 -3.795) 5.244 6.235 ( 2.881 7.259 4.392) 8.960 6.275 ( -5.989 -0.281 -9.820) 11.506 6.519 ( 0.438 -4.994 -5.174) 7.204 7.041 ( -2.129 -4.566 0.093) 5.039 9.236 ( 0.645 -6.420 7.910) 10.208 9.630 ( 7.072 7.803 12.674) 16.479 10.519 ( -5.907 -0.248 -13.067) 14.342 15.416 ( -1.158 -1.148 -0.834) 1.831 15.460 ( 1.721 2.220 0.212) 2.817 16.123 ( 1.362 4.842 3.560) 6.163 16.207 ( 3.990 -4.273 8.120) 10.006 16.494 ( -1.342 -0.557 -1.748) 2.273 17.027 ( -3.498 -1.186 -7.684) 8.526 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.233 2.501 -1.202) 2.785 1.801 ( -1.213 0.761 3.982) 4.231 1.896 ( -0.202 -5.001 -8.106) 9.526 2.926 ( 1.475 2.256 1.587) 3.128 2.980 ( -2.941 0.174 1.172) 3.170 3.412 ( 6.804 -5.381 4.588) 9.813 4.220 ( 1.662 3.653 4.897) 6.331 4.608 ( -6.889 -7.568 -5.147) 11.456 4.724 ( 9.193 -2.448 -2.663) 9.879 5.682 ( -0.087 3.521 -3.263) 4.801 5.912 ( -9.743 -0.972 -7.513) 12.342 6.079 ( -5.871 -2.182 -2.887) 6.897 6.389 ( 0.654 0.854 2.888) 3.081 6.553 ( 7.322 6.235 -0.429) 9.627 6.961 ( -2.842 -4.102 0.433) 5.009 9.266 ( 3.495 -3.725 6.727) 8.447 9.847 ( 4.296 4.014 9.770) 11.403 10.336 ( -5.023 -2.042 -13.658) 14.695 15.357 ( -4.584 -1.822 3.134) 5.844 15.531 ( 4.923 3.572 -4.541) 7.590 16.229 ( 2.114 6.252 4.460) 7.965 16.279 ( 3.591 -3.832 6.913) 8.681 16.461 ( -1.045 -0.314 -0.977) 1.464 16.895 ( -4.379 -3.428 -7.571) 9.394 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -9.371 3.544 2.633) 10.359 1.799 ( 4.451 -4.029 -7.385) 9.517 1.864 ( -0.058 -1.532 4.993) 5.223 2.915 ( -2.411 -0.759 -0.424) 2.563 3.012 ( 3.028 2.824 0.316) 4.152 3.492 ( 6.311 -4.668 1.262) 7.951 4.297 ( 1.752 1.762 0.362) 2.510 4.443 ( -4.491 -4.142 1.783) 6.364 4.822 ( 7.476 -3.839 -1.397) 8.520 5.676 ( -8.245 -2.769 -9.126) 12.607 5.712 ( 1.471 3.500 -2.197) 4.386 5.978 ( -7.009 -0.344 3.878) 8.018 6.361 ( -3.426 -0.827 0.670) 3.587 6.746 ( 4.093 3.941 3.543) 6.696 6.899 ( -0.097 -0.458 0.620) 0.777 9.353 ( 5.956 -2.026 5.275) 8.210 9.945 ( -1.984 1.627 6.546) 7.031 10.184 ( -0.145 -2.571 -13.259) 13.507 15.283 ( -4.727 -1.922 3.737) 6.324 15.625 ( 5.992 4.281 -6.493) 9.818 16.311 ( 0.451 -2.624 5.907) 6.479 16.357 ( 2.953 5.033 1.469) 6.017 16.448 ( -0.689 0.998 0.848) 1.480 16.747 ( -3.783 -5.226 -4.498) 7.865 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -6.808 -1.525 2.731) 7.492 1.812 ( 3.576 -0.530 -5.214) 6.345 1.858 ( -3.213 -2.856 9.072) 10.039 2.876 ( -0.746 -0.060 -1.814) 1.963 3.092 ( 3.451 2.627 -0.515) 4.368 3.536 ( 4.810 -3.282 -4.118) 7.132 4.296 ( 1.253 -3.164 -2.048) 3.972 4.418 ( -2.423 1.615 6.309) 6.949 4.860 ( 1.837 -3.949 0.613) 4.398 5.522 ( -1.131 -2.753 -5.802) 6.521 5.781 ( 3.653 3.481 -0.946) 5.134 5.882 ( -7.178 -0.975 5.899) 9.342 6.294 ( -5.285 0.764 1.835) 5.647 6.722 ( -4.945 -3.322 2.314) 6.391 7.004 ( 4.738 4.696 2.062) 6.983 9.469 ( 7.167 -1.759 2.730) 7.869 9.892 ( -6.875 0.043 0.967) 6.942 10.147 ( 4.363 -0.255 -7.828) 8.965 15.220 ( -3.571 -1.921 4.062) 5.739 15.721 ( 6.107 4.455 -8.489) 11.367 16.292 ( -3.314 -0.630 0.479) 3.407 16.398 ( 0.818 -2.005 -0.772) 2.299 16.489 ( 1.461 2.637 0.020) 3.015 16.658 ( -1.677 -2.424 5.062) 5.858 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -1.441 -5.791 2.727) 6.561 1.747 ( -7.172 -7.529 9.104) 13.820 1.900 ( 3.464 4.230 -1.018) 5.561 2.873 ( 1.219 0.737 -1.946) 2.411 3.155 ( 1.962 2.201 -1.738) 3.423 3.540 ( 3.065 -1.995 -7.674) 8.501 4.288 ( 0.963 -1.746 0.382) 2.030 4.416 ( -1.825 -0.410 2.467) 3.096 4.828 ( -3.430 -1.750 4.013) 5.562 5.512 ( 4.042 -1.415 -2.120) 4.778 5.792 ( -3.258 -2.807 6.646) 7.916 5.902 ( 5.331 2.167 1.246) 5.888 6.238 ( -5.652 3.853 2.969) 7.457 6.615 ( -5.485 -3.268 1.711) 6.610 7.097 ( 1.190 2.277 1.259) 2.861 9.573 ( 7.302 -2.605 -0.266) 7.758 9.765 ( -7.253 -1.083 -3.514) 8.131 10.209 ( 4.189 4.174 -1.405) 6.078 15.183 ( -1.722 -2.048 4.495) 5.231 15.792 ( 4.346 3.943 -10.867) 12.350 16.213 ( -3.730 -0.207 -3.249) 4.951 16.387 ( 1.534 -3.449 -0.288) 3.785 16.486 ( 0.151 -4.020 -0.689) 4.082 16.709 ( -0.961 4.965 10.302) 11.476 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 4.216 -8.567 2.833) 9.959 1.588 ( -7.528 -10.867 8.305) 15.612 2.000 ( 2.790 6.252 -0.154) 6.848 2.898 ( 1.932 0.841 -1.487) 2.578 3.166 ( -0.822 0.829 -2.662) 2.906 3.506 ( -0.059 -0.387 -8.285) 8.295 4.280 ( -1.048 -0.087 -1.502) 1.834 4.403 ( 2.005 -3.511 1.426) 4.287 4.781 ( -5.886 1.206 6.510) 8.859 5.568 ( 3.302 0.464 1.133) 3.521 5.808 ( 3.827 -2.098 5.812) 7.268 6.010 ( 4.755 -1.524 4.549) 6.755 6.236 ( -3.221 7.105 4.196) 8.858 6.517 ( -3.768 -1.778 -0.242) 4.173 7.097 ( -2.559 -0.514 0.150) 2.614 9.589 ( -5.668 -5.202 -5.988) 9.749 9.666 ( 4.626 0.885 -2.669) 5.414 10.331 ( 2.976 7.387 3.233) 8.596 15.180 ( 0.389 -2.375 5.096) 5.636 15.787 ( -0.288 2.347 -12.270) 12.496 16.169 ( 1.281 -0.197 -2.953) 3.225 16.360 ( 1.080 -6.406 -3.277) 7.276 16.449 ( -1.414 -0.966 2.149) 2.748 16.804 ( -1.348 5.606 10.412) 11.902 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -3.743 -11.184 4.371) 12.577 1.477 ( 8.328 -10.344 3.182) 13.656 2.091 ( 1.994 4.941 -0.625) 5.364 2.924 ( 1.417 0.462 -1.194) 1.910 3.115 ( -2.894 -1.490 -2.421) 4.057 3.433 ( -4.365 2.339 -6.853) 8.455 4.243 ( -0.011 -2.086 -2.749) 3.451 4.439 ( 4.093 -1.933 1.753) 4.853 4.735 ( -6.697 3.248 5.156) 9.055 5.635 ( 3.425 0.322 1.135) 3.623 5.925 ( 7.611 -1.014 4.540) 8.920 6.094 ( 1.412 2.614 9.136) 9.607 6.288 ( -1.178 1.747 6.681) 7.006 6.487 ( 1.930 3.245 -3.973) 5.481 7.014 ( -5.447 -2.866 -0.454) 6.172 9.389 ( -7.654 -2.743 -10.421) 13.217 9.733 ( 4.370 -2.629 1.220) 5.244 10.467 ( 1.310 9.776 3.618) 10.506 15.210 ( 2.266 -2.860 5.738) 6.800 15.700 ( -2.842 0.801 -11.198) 11.581 16.190 ( 2.574 -2.046 -2.439) 4.094 16.273 ( -0.294 -4.937 -5.368) 7.299 16.451 ( -0.222 0.554 2.652) 2.718 16.891 ( -1.378 5.448 9.522) 11.057 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 2.131 -10.271 0.428) 10.498 1.552 ( 9.985 -9.537 2.124) 13.970 2.144 ( 2.274 0.987 -2.427) 3.470 2.930 ( -0.375 -0.505 -0.889) 1.089 3.037 ( -1.939 -2.698 -1.623) 3.698 3.340 ( -7.543 5.908 -3.575) 10.227 4.214 ( 1.145 -4.554 -0.211) 4.701 4.511 ( 4.962 0.839 -0.561) 5.064 4.688 ( -6.284 4.658 2.188) 8.123 5.686 ( 3.958 -2.207 -1.124) 4.668 6.055 ( 5.323 0.247 4.245) 6.813 6.202 ( -3.829 8.162 6.474) 11.100 6.336 ( 5.324 -1.518 8.281) 9.961 6.580 ( 5.700 5.393 -3.378) 8.543 6.882 ( -5.883 -3.614 0.560) 6.927 9.180 ( -7.050 -2.165 -11.474) 13.640 9.754 ( 0.482 -6.277 5.568) 8.404 10.595 ( 0.277 12.095 0.414) 12.105 15.263 ( 3.389 -3.343 6.036) 7.687 15.594 ( -2.754 -0.076 -9.570) 9.959 16.116 ( -2.499 -5.100 -4.665) 7.350 16.259 ( 2.578 -1.734 -1.794) 3.588 16.476 ( 0.598 0.813 2.055) 2.289 16.977 ( -0.566 5.837 7.017) 9.145 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 9.783 -2.846 -3.762) 10.861 1.565 ( 11.177 -7.915 -7.372) 15.554 2.058 ( 0.085 2.659 2.734) 3.815 2.900 ( 0.195 1.967 1.452) 2.453 3.069 ( -0.367 -2.241 2.753) 3.569 3.328 ( -5.088 -0.898 4.879) 7.106 4.171 ( 1.573 1.475 5.044) 5.486 4.486 ( 4.929 0.697 -3.707) 6.207 4.843 ( -6.842 -6.783 -6.315) 11.519 5.650 ( 3.650 1.327 -0.849) 3.976 6.002 ( 4.084 4.563 -3.873) 7.246 6.273 ( -2.016 5.534 -8.821) 10.607 6.402 ( -7.124 6.993 -0.570) 9.999 6.428 ( -0.065 -5.952 -4.476) 7.447 7.010 ( -0.308 -6.240 0.029) 6.247 9.202 ( -0.326 -8.750 10.063) 13.339 9.686 ( 5.042 9.083 6.861) 12.450 10.574 ( -8.216 1.284 -8.238) 11.706 15.328 ( 4.504 0.482 -7.303) 8.594 15.522 ( -1.390 -1.353 8.582) 8.799 16.126 ( 4.051 -0.927 4.863) 6.397 16.177 ( 1.262 0.386 4.916) 5.090 16.497 ( -0.889 -0.318 -2.279) 2.466 17.047 ( -4.687 0.533 -7.711) 9.040 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 8.820 -7.016 -6.255) 12.890 1.713 ( 9.137 2.083 -0.461) 9.383 2.037 ( -7.979 4.635 -0.010) 9.227 2.931 ( 0.977 1.168 1.199) 1.938 3.037 ( -3.086 -1.682 1.864) 3.978 3.305 ( 2.476 -5.320 4.839) 7.606 4.251 ( 2.195 2.997 3.302) 4.971 4.554 ( 4.609 -2.035 -2.922) 5.824 4.639 ( -5.402 -4.082 -3.733) 7.732 5.695 ( 0.678 2.976 -1.309) 3.321 6.018 ( -8.363 0.506 -7.998) 11.583 6.130 ( -2.839 1.818 -3.787) 5.070 6.404 ( -0.262 -0.572 -1.752) 1.862 6.498 ( 6.529 9.745 1.652) 11.845 6.944 ( -0.727 -5.922 -0.127) 5.968 9.198 ( 2.513 -7.656 9.004) 12.083 9.855 ( 5.211 4.183 0.682) 6.716 10.398 ( -10.040 1.252 -4.684) 11.149 15.360 ( 2.991 0.739 -6.188) 6.913 15.523 ( -1.990 -0.808 6.797) 7.128 16.202 ( 4.965 -5.182 6.188) 9.476 16.262 ( 2.647 4.084 3.425) 5.951 16.470 ( -0.820 0.464 -1.623) 1.876 16.918 ( -5.651 0.112 -7.744) 9.587 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 7.820 -1.751 -4.326) 9.107 1.851 ( 3.437 0.396 3.595) 4.990 1.903 ( -10.883 4.056 -2.010) 11.787 2.957 ( -2.537 -0.356 1.472) 2.955 2.984 ( 1.112 -0.179 -0.820) 1.393 3.348 ( 6.075 -6.469 2.613) 9.251 4.305 ( -0.602 2.795 -2.382) 3.722 4.480 ( -1.547 -4.423 3.881) 6.085 4.668 ( 5.821 0.177 -1.884) 6.121 5.720 ( -1.129 1.716 -0.844) 2.221 5.779 ( -10.226 1.720 -8.691) 13.530 6.111 ( -4.907 2.270 3.395) 6.384 6.383 ( -0.687 0.420 -2.577) 2.700 6.721 ( 7.243 6.742 3.778) 10.592 6.882 ( 0.019 -3.975 -0.756) 4.046 9.243 ( 5.377 -6.674 6.432) 10.716 9.947 ( 5.795 -0.015 -4.360) 7.253 10.227 ( -11.263 2.835 -1.000) 11.657 15.345 ( -2.117 -0.886 -0.537) 2.356 15.550 ( 2.605 1.491 -0.203) 3.008 16.263 ( 4.394 -5.577 5.351) 8.891 16.346 ( 2.270 0.920 0.780) 2.570 16.465 ( -0.037 1.310 -0.389) 1.367 16.793 ( -5.801 2.338 -4.534) 7.725 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -5.525 -1.185 -3.869) 6.848 1.729 ( 0.433 2.753 -0.500) 2.831 1.922 ( -0.865 -2.143 7.200) 7.561 2.896 ( -2.896 -0.144 -0.994) 3.065 3.037 ( 4.148 0.450 -0.973) 4.284 3.394 ( 5.753 -5.165 -1.680) 7.912 4.274 ( -1.615 1.920 -3.695) 4.467 4.499 ( -0.222 -0.663 7.745) 7.776 4.744 ( 5.992 -1.924 -2.345) 6.715 5.561 ( -7.839 -0.613 -3.311) 8.531 5.782 ( 0.769 5.668 -1.003) 5.807 6.046 ( -8.113 0.929 6.113) 10.201 6.359 ( -1.621 1.249 -1.518) 2.548 6.765 ( -2.755 -4.000 2.040) 5.267 6.968 ( 6.591 4.718 1.631) 8.268 9.311 ( 7.490 -6.294 0.985) 9.833 10.014 ( 6.321 -2.546 -4.422) 8.124 10.079 ( -10.840 6.231 1.135) 12.555 15.287 ( -3.912 -1.687 2.809) 5.103 15.618 ( 4.932 2.455 -5.211) 7.583 16.300 ( 3.111 -4.925 3.197) 6.645 16.334 ( -1.069 -3.744 -3.961) 5.554 16.475 ( 0.272 -0.105 0.235) 0.375 16.760 ( -2.882 7.223 2.854) 8.284 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -7.373 -5.799 -1.682) 9.530 1.811 ( -0.495 -0.951 1.710) 2.019 1.895 ( -0.599 -2.236 6.942) 7.318 2.864 ( -0.605 1.084 -1.679) 2.088 3.101 ( 4.184 -0.131 -1.668) 4.506 3.422 ( 4.585 -1.586 -5.494) 7.330 4.267 ( 0.158 2.182 -1.851) 2.866 4.493 ( -4.508 -0.357 2.943) 5.395 4.807 ( 5.486 -2.658 0.733) 6.140 5.473 ( -2.115 0.322 0.923) 2.330 5.847 ( 0.869 2.321 3.898) 4.619 5.961 ( -7.235 2.481 4.885) 9.076 6.343 ( -1.960 2.987 -0.106) 3.574 6.679 ( -4.580 -3.943 2.282) 6.460 7.093 ( 3.086 2.209 1.600) 4.119 9.376 ( 8.978 -5.536 -4.893) 11.628 9.901 ( -9.869 1.576 -4.034) 10.778 10.164 ( 6.263 4.572 4.237) 8.836 15.231 ( -3.268 -2.055 4.087) 5.622 15.681 ( 4.996 1.962 -8.375) 9.947 16.225 ( -2.408 -4.801 -6.285) 8.267 16.310 ( 1.547 -4.109 1.475) 4.632 16.478 ( -0.246 -0.669 2.093) 2.211 16.836 ( -0.895 7.978 6.304) 10.207 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -1.358 -9.741 0.451) 9.846 1.668 ( -9.148 -11.745 7.693) 16.758 1.980 ( 4.428 2.314 -0.251) 5.003 2.871 ( 1.145 1.174 -1.557) 2.261 3.138 ( 2.124 -0.978 -2.303) 3.282 3.453 ( 2.840 3.050 -6.725) 7.912 4.281 ( -0.171 1.458 -2.314) 2.740 4.404 ( -4.322 -1.578 -0.484) 4.626 4.872 ( 1.552 -0.602 5.414) 5.664 5.490 ( 3.034 -1.624 2.050) 4.006 5.861 ( -4.369 0.027 9.902) 10.823 5.974 ( 2.116 3.581 2.315) 4.760 6.364 ( -0.658 6.209 0.883) 6.306 6.578 ( -5.594 -2.903 2.777) 6.887 7.124 ( -0.954 -0.631 0.803) 1.398 9.441 ( 8.853 -4.405 -7.529) 12.428 9.727 ( -9.289 2.542 -7.207) 12.029 10.354 ( 5.827 5.968 8.445) 11.870 15.196 ( -1.563 -2.493 4.806) 5.635 15.701 ( 2.928 -0.093 -10.647) 11.042 16.129 ( -0.133 -3.072 -4.773) 5.678 16.287 ( -0.019 -3.841 -0.904) 3.946 16.479 ( -0.904 -0.199 2.818) 2.967 16.934 ( -0.910 6.812 7.481) 10.158 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 5.117 -11.990 2.672) 13.307 1.438 ( -8.552 -14.508 6.652) 18.107 2.041 ( 4.008 -1.880 -3.710) 5.776 2.896 ( 1.721 0.843 -1.399) 2.373 3.117 ( -1.211 -1.950 -2.608) 3.474 3.487 ( -0.493 7.506 -5.429) 9.276 4.223 ( -2.655 -1.729 -4.753) 5.712 4.386 ( 1.907 -0.409 1.573) 2.505 4.895 ( -3.892 1.619 6.716) 7.929 5.542 ( 5.225 -4.220 0.538) 6.738 5.875 ( 0.405 0.059 6.307) 6.320 6.093 ( 4.950 3.110 8.655) 10.444 6.448 ( 1.399 8.552 1.447) 8.786 6.483 ( -6.013 -0.647 2.740) 6.640 7.065 ( -4.385 -2.879 0.082) 5.246 9.419 ( -3.766 -1.979 -10.263) 11.110 9.632 ( 2.735 0.842 -6.008) 6.655 10.546 ( 3.433 7.485 8.800) 12.052 15.193 ( 0.528 -3.033 5.443) 6.253 15.646 ( 0.134 -2.602 -10.705) 11.017 16.110 ( 2.832 -1.315 -3.888) 4.987 16.228 ( -1.632 -2.836 -3.056) 4.477 16.481 ( -0.803 0.222 2.800) 2.921 17.019 ( -1.391 5.587 8.009) 9.863 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -3.749 -14.482 3.605) 15.388 1.308 ( 9.744 -12.145 4.376) 16.174 2.027 ( 3.950 -7.666 -7.284) 11.288 2.923 ( 1.193 0.990 -0.801) 1.745 3.041 ( -3.183 -2.659 -2.107) 4.652 3.506 ( -4.706 10.936 -3.170) 12.320 4.158 ( 0.349 -3.277 -2.116) 3.917 4.433 ( 3.561 -0.760 -0.066) 3.642 4.867 ( -6.660 4.059 5.281) 9.420 5.572 ( 4.500 -5.778 -1.332) 7.444 5.948 ( 5.787 -2.107 3.913) 7.297 6.287 ( 6.891 2.935 10.412) 12.826 6.412 ( -5.688 4.053 2.354) 7.370 6.570 ( 2.040 8.515 2.032) 8.988 6.944 ( -5.856 -3.821 0.022) 6.992 9.228 ( -8.616 0.000 -11.948) 14.731 9.684 ( 5.014 -2.959 -0.768) 5.872 10.701 ( 0.859 9.492 4.856) 10.696 15.219 ( 2.271 -3.635 5.849) 7.251 15.549 ( -0.753 -3.643 -9.320) 10.035 16.093 ( -1.616 -1.892 -4.558) 5.193 16.188 ( 2.264 -0.788 -2.880) 3.747 16.491 ( -0.150 0.322 2.274) 2.301 17.090 ( -1.514 5.027 7.524) 9.175 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.000 0.000 17.279) 17.279 1.039 ( -0.000 0.000 17.279) 17.279 1.568 ( -0.000 0.000 24.873) 24.873 2.966 ( 0.000 -0.000 -3.506) 3.506 2.966 ( 0.000 -0.000 -3.506) 3.506 4.046 ( -0.000 0.000 7.073) 7.073 4.046 ( -0.000 0.000 7.073) 7.073 4.262 ( 0.000 -0.000 -6.512) 6.512 5.457 ( -0.000 0.000 3.602) 3.602 5.818 ( -0.000 0.000 5.411) 5.411 5.818 ( -0.000 0.000 5.411) 5.411 6.366 ( -0.000 0.000 0.418) 0.418 6.633 ( 0.000 -0.000 -6.832) 6.832 6.633 ( 0.000 -0.000 -6.832) 6.832 6.748 ( 0.000 -0.000 -6.054) 6.054 9.215 ( 0.000 -0.000 -4.369) 4.369 9.215 ( 0.000 -0.000 -4.369) 4.369 11.407 ( -0.000 0.000 0.800) 0.800 15.198 ( -0.000 0.000 4.260) 4.260 15.198 ( -0.000 0.000 4.260) 4.260 16.035 ( 0.000 -0.000 -2.080) 2.080 16.035 ( 0.000 -0.000 -2.080) 2.080 16.516 ( -0.000 0.000 1.797) 1.797 17.515 ( 0.000 -0.000 -1.467) 1.467 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -4.380 -1.029 18.023) 18.576 1.283 ( 8.167 3.084 14.048) 16.539 1.748 ( 3.588 1.522 21.019) 21.378 2.925 ( -0.854 -0.478 -2.950) 3.108 2.960 ( 0.183 0.311 -3.471) 3.490 4.013 ( -1.969 -5.254 5.381) 7.774 4.131 ( -3.101 5.620 -0.037) 6.419 4.280 ( 6.958 1.399 1.602) 7.276 5.438 ( -3.570 -1.592 3.254) 5.086 5.719 ( -5.130 -10.393 5.567) 12.858 5.916 ( -1.808 8.187 5.611) 10.089 6.280 ( -1.433 -9.599 -1.874) 9.885 6.559 ( -4.118 6.835 -7.321) 10.829 6.691 ( 1.405 -1.482 -6.857) 7.155 6.725 ( 5.511 2.862 -3.932) 7.350 9.085 ( -4.876 0.034 -3.594) 6.058 9.415 ( 14.281 5.858 -4.554) 16.093 11.286 ( -10.570 -6.884 1.206) 12.671 15.181 ( -0.870 -0.344 4.108) 4.213 15.297 ( 3.928 1.824 3.972) 5.877 15.993 ( -0.709 -1.291 -2.238) 2.680 16.089 ( 3.763 2.764 -1.708) 4.972 16.519 ( -0.569 -0.259 1.474) 1.601 17.456 ( -4.471 -2.084 -1.088) 5.052 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.697 1.846 15.945) 16.067 1.510 ( 7.245 2.825 10.041) 12.700 1.942 ( 5.509 0.843 14.938) 15.944 2.903 ( 0.169 0.148 -1.728) 1.742 2.934 ( -1.423 0.059 -2.786) 3.129 3.908 ( -4.896 -7.981 -1.155) 9.434 4.126 ( -4.131 6.034 3.830) 8.255 4.470 ( 9.283 4.102 2.571) 10.470 5.351 ( -6.728 -3.539 2.068) 7.878 5.562 ( -4.650 -9.343 4.855) 11.510 5.956 ( -2.945 4.494 -0.532) 5.399 6.196 ( 2.776 -9.424 0.820) 9.859 6.494 ( -5.452 4.569 -6.806) 9.844 6.671 ( -0.564 5.174 -5.509) 7.579 6.837 ( 6.971 2.366 -3.406) 8.112 9.024 ( -1.994 2.025 -0.861) 2.970 9.672 ( 12.555 4.968 -2.256) 13.690 10.992 ( -14.726 -10.639 -0.579) 18.176 15.209 ( 1.017 0.609 4.344) 4.503 15.394 ( 3.603 1.364 1.838) 4.268 15.967 ( 0.345 -0.983 -1.184) 1.577 16.173 ( 3.955 2.654 -0.296) 4.772 16.511 ( -0.866 -0.330 0.719) 1.173 17.339 ( -6.153 -2.278 -1.446) 6.718 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 5.997 3.942 11.152) 13.261 1.672 ( 3.929 2.001 5.857) 7.331 2.107 ( 5.704 0.016 7.360) 9.312 2.878 ( -2.944 -0.717 -1.748) 3.498 2.918 ( 1.211 1.310 -0.111) 1.787 3.724 ( -7.108 -7.833 -0.747) 10.603 4.147 ( -3.199 4.487 5.770) 7.978 4.642 ( 6.343 3.190 -1.332) 7.224 5.176 ( -9.199 -5.436 -0.358) 10.691 5.499 ( 1.246 -3.668 3.069) 4.942 5.922 ( -0.410 -0.553 -4.272) 4.327 6.168 ( 1.949 -8.510 1.626) 8.881 6.407 ( -5.035 3.814 -6.000) 8.712 6.686 ( -2.216 8.355 -4.923) 9.948 6.947 ( 5.632 2.853 -2.318) 6.726 9.053 ( 1.726 3.129 3.346) 4.895 9.856 ( 4.675 1.600 4.644) 6.781 10.646 ( -11.756 -10.174 -7.311) 17.180 15.274 ( 2.510 1.065 5.040) 5.730 15.448 ( 1.818 0.559 -1.813) 2.627 15.977 ( 1.641 -0.174 1.119) 1.994 16.255 ( 2.768 1.602 2.428) 4.015 16.497 ( -0.659 -0.185 -0.177) 0.707 17.206 ( -6.008 -1.786 -3.349) 7.106 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 8.731 4.013 5.917) 11.284 1.742 ( 0.927 0.171 2.310) 2.495 2.179 ( 0.037 0.298 -2.603) 2.620 2.821 ( -1.688 -1.526 1.189) 2.567 2.966 ( 2.002 2.355 1.477) 3.426 3.544 ( -6.766 -7.208 2.423) 10.179 4.169 ( -2.809 3.150 6.075) 7.397 4.687 ( 0.650 -3.312 -4.184) 5.376 5.002 ( -6.681 0.957 -3.894) 7.791 5.541 ( 4.678 -1.743 0.348) 5.005 5.913 ( 2.639 0.761 -3.467) 4.423 6.111 ( 1.631 -10.480 0.785) 10.636 6.332 ( -4.083 3.637 -6.497) 8.491 6.679 ( -4.466 7.576 -5.156) 10.194 7.040 ( 3.373 3.319 -1.314) 4.911 9.172 ( 4.666 3.760 7.423) 9.540 9.862 ( -9.314 -6.062 14.284) 18.098 10.408 ( 0.816 -2.971 -16.886) 17.164 15.364 ( 3.702 -0.044 5.302) 6.466 15.443 ( -0.629 0.980 -4.015) 4.180 16.025 ( 2.295 0.331 2.924) 3.732 16.312 ( 0.042 -0.104 5.776) 5.777 16.489 ( 0.094 0.452 -1.174) 1.261 17.080 ( -4.131 -0.915 -6.299) 7.588 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.391 -2.984 0.060) 3.010 1.793 ( 4.694 1.594 1.719) 5.247 2.073 ( -7.957 1.359 -10.042) 12.884 2.826 ( 2.046 -1.561 3.052) 3.993 3.040 ( 2.170 2.951 3.163) 4.840 3.411 ( -4.870 -5.414 5.172) 8.932 4.188 ( -2.159 2.001 6.021) 6.702 4.577 ( -3.021 -7.347 -4.308) 9.037 4.936 ( -3.098 6.455 -6.863) 9.918 5.589 ( 3.967 -2.401 -2.413) 5.227 5.958 ( 1.637 2.010 -5.312) 5.911 6.071 ( 6.286 -10.100 2.228) 12.103 6.269 ( -2.232 3.431 -7.049) 8.152 6.623 ( -6.178 5.805 -5.133) 9.910 7.096 ( 0.501 3.040 -0.771) 3.176 9.340 ( 4.093 4.812 9.405) 11.330 9.672 ( -11.227 -10.575 12.875) 20.091 10.392 ( 6.808 2.394 -14.670) 16.349 15.370 ( -0.364 -2.962 -6.096) 6.788 15.487 ( 1.878 3.126 7.579) 8.411 16.080 ( 1.820 -0.251 3.404) 3.868 16.315 ( -3.360 -1.702 7.435) 8.335 16.494 ( 0.314 1.250 -1.726) 2.154 16.994 ( -0.394 0.507 -8.748) 8.772 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -5.388 -8.129 -2.774) 10.140 1.738 ( -13.306 0.112 -7.483) 15.266 2.004 ( 4.021 0.726 -1.285) 4.284 2.867 ( 2.264 -1.227 1.999) 3.260 3.111 ( 0.615 1.546 3.471) 3.849 3.371 ( 0.052 -0.414 6.701) 6.714 4.209 ( -1.453 1.231 5.707) 6.016 4.448 ( -2.168 -4.888 -3.764) 6.539 4.913 ( -1.975 5.877 -7.416) 9.666 5.594 ( 1.899 -4.016 -2.233) 4.972 5.922 ( -0.371 -1.468 -5.939) 6.129 6.103 ( 5.191 -6.291 -5.407) 9.785 6.298 ( 5.531 5.080 -2.780) 8.008 6.541 ( -6.228 4.711 -3.732) 8.655 7.102 ( -2.389 2.539 -0.403) 3.509 9.438 ( -8.081 5.705 9.822) 13.940 9.564 ( 4.509 -9.466 9.422) 14.096 10.459 ( 7.329 2.899 -10.705) 13.293 15.285 ( -1.961 -2.408 -6.585) 7.281 15.589 ( 1.199 1.336 9.774) 9.938 16.110 ( 0.655 -2.087 3.559) 4.178 16.272 ( -4.673 -1.239 6.044) 7.740 16.493 ( -0.276 1.163 -2.449) 2.725 16.978 ( 3.084 2.308 -8.958) 9.751 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 1.633 -2.553 16.781) 17.053 1.331 ( -1.765 4.099 14.724) 15.385 1.872 ( -0.478 3.391 18.002) 18.325 2.911 ( -0.018 -0.144 -3.071) 3.075 2.942 ( 0.244 1.040 -3.595) 3.750 4.019 ( -3.028 -6.729 0.423) 7.391 4.175 ( 7.404 2.687 5.298) 9.492 4.271 ( -3.780 6.005 1.196) 7.196 5.454 ( 0.372 -4.613 3.410) 5.749 5.760 ( -6.641 -8.005 5.219) 11.637 5.958 ( 8.370 2.087 7.182) 11.225 6.236 ( -7.719 -10.255 -4.202) 13.506 6.506 ( 8.743 -0.656 -7.922) 11.816 6.645 ( -3.760 0.126 -3.201) 4.940 6.702 ( 0.707 5.599 -5.844) 8.124 9.158 ( 4.466 5.311 -3.598) 7.817 9.314 ( -4.274 9.226 -5.128) 11.388 11.295 ( -0.485 -12.297 1.472) 12.395 15.187 ( 0.023 -2.935 4.156) 5.088 15.342 ( -0.228 6.471 3.808) 7.512 16.007 ( -1.406 1.553 -2.281) 3.097 16.055 ( 1.195 2.818 -1.928) 3.618 16.526 ( 0.051 -1.154 1.462) 1.863 17.444 ( 0.343 -5.637 -0.930) 5.723 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -1.800 0.871 16.595) 16.715 1.477 ( 5.504 1.862 11.679) 13.044 1.988 ( 0.938 1.345 12.162) 12.273 2.897 ( -0.059 0.921 -1.930) 2.140 2.936 ( -0.205 1.269 -3.009) 3.272 3.895 ( -3.709 -7.702 -1.573) 8.692 4.273 ( -3.698 6.867 2.495) 8.189 4.374 ( 8.694 3.197 4.162) 10.155 5.399 ( -3.318 -6.697 2.321) 7.826 5.595 ( -6.614 -9.063 5.628) 12.552 5.997 ( -4.764 -10.279 -4.513) 12.195 6.108 ( 2.949 1.009 3.995) 5.067 6.549 ( -1.689 -1.106 -4.694) 5.110 6.618 ( 6.977 1.419 -4.706) 8.535 6.756 ( 2.402 5.997 -4.246) 7.731 9.154 ( -7.368 9.827 -2.041) 12.451 9.478 ( 13.786 6.901 -5.284) 16.297 11.082 ( -9.941 -15.928 1.943) 18.876 15.198 ( 1.538 -2.406 4.176) 5.058 15.424 ( -0.067 6.653 2.323) 7.047 15.976 ( -1.775 1.818 -1.109) 2.772 16.128 ( 4.183 3.410 -1.513) 5.605 16.517 ( -0.370 -1.561 0.939) 1.860 17.361 ( -2.580 -6.407 -1.100) 6.995 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.280 2.185 14.607) 14.772 1.644 ( 5.526 1.915 6.031) 8.401 2.072 ( 2.923 -1.443 6.341) 7.130 2.904 ( -0.497 1.172 -0.888) 1.552 2.921 ( -0.583 1.738 -1.401) 2.307 3.741 ( -5.162 -7.747 -1.087) 9.372 4.292 ( -4.037 6.618 3.378) 8.456 4.547 ( 7.337 1.367 0.041) 7.463 5.242 ( -7.141 -8.520 0.374) 11.123 5.487 ( -2.127 -5.142 4.803) 7.351 5.851 ( 0.625 -9.570 -2.481) 9.906 6.118 ( -1.359 -1.312 -1.793) 2.604 6.473 ( -4.069 0.761 -3.216) 5.242 6.743 ( 4.378 6.015 -2.518) 7.854 6.830 ( 5.869 2.137 -4.008) 7.421 9.148 ( -3.998 9.438 1.823) 10.411 9.731 ( 12.982 5.152 -3.738) 14.459 10.731 ( -14.693 -16.388 0.411) 22.015 15.241 ( 3.219 -2.129 4.343) 5.810 15.477 ( -1.363 5.820 -0.583) 6.006 15.984 ( 0.019 2.938 1.384) 3.248 16.223 ( 4.345 2.696 0.036) 5.113 16.499 ( -0.495 -1.512 0.213) 1.605 17.236 ( -4.223 -6.188 -2.406) 7.869 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 3.982 2.691 9.978) 11.076 1.736 ( 1.441 0.990 0.573) 1.840 2.130 ( 3.549 -2.521 0.286) 4.363 2.862 ( -3.379 0.546 -0.847) 3.526 2.964 ( 2.097 2.464 1.537) 3.582 3.583 ( -5.532 -7.313 1.665) 9.320 4.302 ( -4.323 5.296 3.854) 7.848 4.605 ( 2.370 -3.738 -4.196) 6.099 5.070 ( -5.554 -3.486 -1.808) 6.803 5.472 ( 1.753 -3.680 3.047) 5.089 5.807 ( 4.821 -7.430 -0.325) 8.863 6.052 ( -2.258 -1.333 -4.440) 5.156 6.393 ( -4.366 1.063 -3.665) 5.799 6.787 ( -3.417 7.466 -4.178) 9.212 6.953 ( 8.520 0.501 -1.790) 8.720 9.225 ( 0.371 7.973 6.198) 10.106 9.926 ( 6.697 1.264 2.516) 7.265 10.346 ( -12.223 -12.690 -5.886) 18.577 15.304 ( 3.679 -2.278 3.158) 5.357 15.488 ( -1.854 4.578 -1.264) 5.099 16.041 ( 0.644 4.157 3.406) 5.413 16.313 ( 3.359 1.161 2.699) 4.463 16.480 ( -0.055 -0.873 -0.747) 1.150 17.088 ( -4.396 -5.399 -4.962) 8.550 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 1.881 0.540 3.070) 3.641 1.743 ( 2.043 -0.302 -0.527) 2.132 2.114 ( -2.107 -0.545 -6.874) 7.210 2.823 ( -1.287 -0.166 1.500) 1.983 3.041 ( 2.879 2.266 2.592) 4.488 3.458 ( -4.383 -6.189 5.067) 9.120 4.295 ( -3.871 2.547 3.532) 5.827 4.531 ( -1.754 -5.256 -3.972) 6.817 4.978 ( -2.538 0.682 -4.870) 5.534 5.490 ( 3.227 -3.816 0.342) 5.009 5.857 ( 7.971 -5.386 0.107) 9.620 5.983 ( -2.574 1.319 -5.318) 6.054 6.313 ( -3.881 1.649 -3.934) 5.767 6.745 ( -5.714 5.558 -4.666) 9.237 7.063 ( 5.188 0.810 -1.384) 5.431 9.367 ( 3.415 4.792 9.108) 10.843 9.871 ( -13.806 -8.907 10.749) 19.634 10.191 ( 8.279 0.436 -13.865) 16.155 15.325 ( 0.289 -1.384 -2.566) 2.930 15.521 ( 1.406 2.224 4.614) 5.312 16.107 ( -0.312 3.945 4.056) 5.667 16.366 ( -0.142 -1.562 5.183) 5.415 16.483 ( 1.266 0.932 -1.386) 2.096 16.950 ( -2.081 -3.474 -8.217) 9.161 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -6.281 -3.907 -2.240) 7.729 1.821 ( 2.472 0.196 0.162) 2.485 1.983 ( -5.647 1.349 -9.293) 10.957 2.837 ( 1.512 -0.503 2.128) 2.659 3.115 ( 2.293 0.136 2.729) 3.567 3.401 ( -1.124 -3.310 7.487) 8.263 4.272 ( -1.610 -0.556 2.207) 2.788 4.445 ( -3.164 -0.297 -1.314) 3.439 4.923 ( -0.971 -0.099 -6.048) 6.126 5.504 ( 2.816 -3.215 -1.604) 4.565 5.925 ( -1.714 2.827 -7.665) 8.347 5.929 ( 5.249 -4.003 -1.568) 6.785 6.284 ( 0.312 3.902 -2.127) 4.455 6.663 ( -6.464 3.964 -3.912) 8.533 7.118 ( 1.868 0.633 -1.148) 2.282 9.484 ( 2.404 -6.994 9.259) 11.850 9.675 ( -9.065 3.870 7.086) 12.139 10.278 ( 8.862 0.060 -9.169) 12.751 15.272 ( -2.293 -0.366 -5.221) 5.714 15.614 ( 3.201 -0.291 8.819) 9.386 16.142 ( -1.942 1.686 4.416) 5.110 16.346 ( -2.817 -2.576 4.099) 5.601 16.497 ( -0.295 0.868 -1.431) 1.699 16.887 ( 3.009 0.500 -9.423) 9.904 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 1.579 -0.556 16.780) 16.863 1.518 ( -5.300 3.601 11.817) 13.443 2.016 ( -2.212 3.287 11.671) 12.325 2.894 ( 0.182 0.573 -2.221) 2.301 2.924 ( 0.690 0.669 -3.004) 3.154 3.958 ( 1.540 -7.166 -4.465) 8.583 4.135 ( 4.136 2.418 7.534) 8.928 4.418 ( -5.805 4.864 2.370) 7.935 5.391 ( 3.020 -6.628 2.893) 7.837 5.796 ( 10.312 0.147 4.344) 11.190 5.839 ( -2.721 -7.565 4.877) 9.403 6.253 ( -8.450 -10.571 -6.845) 15.166 6.346 ( 4.955 1.524 -5.166) 7.318 6.627 ( 1.939 0.049 -2.279) 2.993 6.768 ( -4.795 4.306 -3.925) 7.546 9.081 ( 6.078 5.624 -0.715) 8.312 9.547 ( -12.275 10.550 -5.393) 17.060 11.103 ( 8.955 -14.249 0.650) 16.842 15.200 ( -1.640 -2.261 4.486) 5.285 15.430 ( -0.152 7.050 1.657) 7.244 16.004 ( 2.018 3.405 -1.179) 4.130 16.112 ( -4.863 2.670 -1.728) 5.811 16.515 ( 0.442 -1.715 1.045) 2.056 17.346 ( 3.214 -7.546 -0.491) 8.217 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 2.278 0.744 14.831) 15.023 1.553 ( -2.767 2.056 13.488) 13.921 2.056 ( -1.324 0.106 5.916) 6.063 2.894 ( 0.379 1.274 -2.011) 2.411 2.932 ( 0.480 2.206 -2.472) 3.348 3.860 ( -1.831 -7.027 -2.790) 7.779 4.292 ( 6.424 2.665 4.418) 8.239 4.409 ( -2.848 5.059 2.593) 6.358 5.357 ( 0.256 -10.090 2.336) 10.360 5.675 ( -7.850 -6.336 4.662) 11.114 5.918 ( -2.678 -12.097 -1.844) 12.526 6.094 ( 4.906 -0.179 2.643) 5.575 6.380 ( 7.120 -2.416 -7.922) 10.922 6.620 ( -3.172 -0.515 0.117) 3.216 6.770 ( 1.380 7.381 -3.789) 8.411 9.282 ( 9.222 9.298 -0.863) 13.124 9.432 ( -9.166 10.839 -6.137) 15.465 11.019 ( -0.894 -18.325 1.263) 18.390 15.188 ( -0.157 -2.395 4.394) 5.006 15.510 ( -0.204 8.193 0.529) 8.212 16.039 ( -3.082 3.783 -0.629) 4.920 16.095 ( 2.493 3.861 -1.703) 4.901 16.506 ( 0.101 -2.367 0.959) 2.556 17.297 ( 0.740 -9.132 -0.295) 9.167 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -0.439 1.340 14.118) 14.188 1.633 ( 2.129 1.190 9.606) 9.910 2.051 ( 0.203 -2.915 0.981) 3.082 2.909 ( 0.844 1.504 -0.868) 1.930 2.943 ( -0.612 2.821 -1.877) 3.443 3.743 ( -3.744 -5.800 -1.340) 7.032 4.403 ( 1.268 4.360 -0.577) 4.577 4.456 ( 2.667 0.887 2.938) 4.066 5.237 ( -2.939 -12.242 1.442) 12.672 5.541 ( -6.106 -4.113 5.971) 9.479 5.744 ( -1.673 -10.138 -1.990) 10.466 6.126 ( -1.482 -0.930 -2.202) 2.813 6.500 ( 6.120 0.066 -1.869) 6.400 6.569 ( 4.869 -2.732 -1.245) 5.720 6.844 ( 0.475 7.537 -2.838) 8.067 9.356 ( -7.935 12.096 -0.848) 14.492 9.548 ( 12.623 7.009 -3.783) 14.925 10.767 ( -8.813 -19.218 1.049) 21.168 15.206 ( 1.737 -2.138 4.619) 5.378 15.563 ( -2.049 7.422 -2.354) 8.051 16.042 ( -1.060 4.838 1.707) 5.238 16.180 ( 3.775 3.786 -0.914) 5.424 16.488 ( -0.147 -2.346 0.638) 2.435 17.198 ( -1.604 -9.516 -1.140) 9.718 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -0.478 0.451 12.782) 12.798 1.725 ( 2.038 1.876 1.216) 3.025 2.037 ( 3.054 -4.821 -0.836) 5.768 2.914 ( -2.051 1.760 -1.358) 3.025 2.962 ( 1.395 2.190 0.296) 2.613 3.620 ( -5.105 -4.688 1.067) 7.012 4.429 ( -3.649 3.983 1.462) 5.596 4.493 ( 4.024 -3.711 -4.068) 6.820 5.088 ( -3.359 -9.049 0.970) 9.701 5.471 ( -3.032 -2.817 5.525) 6.903 5.666 ( 2.793 -7.181 0.230) 7.708 6.064 ( -2.211 0.743 -5.169) 5.671 6.451 ( -4.335 -0.498 -1.281) 4.547 6.752 ( 13.914 -2.201 -1.099) 14.130 6.878 ( -2.277 6.440 -2.967) 7.448 9.370 ( -3.734 10.357 2.042) 11.197 9.782 ( 11.317 4.508 -2.181) 12.375 10.418 ( -12.981 -16.789 0.055) 21.222 15.254 ( 2.875 -1.859 4.541) 5.687 15.558 ( -2.954 5.357 -4.053) 7.338 16.113 ( 0.285 6.930 4.115) 8.064 16.270 ( 4.222 2.236 0.158) 4.780 16.467 ( -0.200 -1.769 0.129) 1.785 17.059 ( -3.219 -9.135 -3.033) 10.149 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 1.542 0.145 8.186) 8.331 1.726 ( -1.374 0.366 -3.708) 3.971 2.051 ( 3.583 -3.003 -3.176) 5.651 2.875 ( -3.430 1.663 -0.484) 3.843 3.019 ( 2.957 0.740 1.238) 3.290 3.511 ( -4.960 -3.947 4.048) 7.521 4.363 ( -3.471 -4.805 0.032) 5.928 4.502 ( 0.482 2.732 -3.738) 4.655 4.973 ( -2.067 -6.669 -1.059) 7.062 5.448 ( -0.720 -1.629 3.597) 4.014 5.694 ( 6.101 -4.032 0.893) 7.368 6.021 ( -2.028 3.915 -5.418) 6.985 6.369 ( -4.068 -0.116 -1.547) 4.354 6.848 ( -3.873 3.981 -4.222) 6.976 6.927 ( 9.513 -1.389 -0.769) 9.645 9.437 ( -0.554 5.594 4.743) 7.355 9.963 ( 8.089 0.471 1.029) 8.168 10.076 ( -11.594 -9.037 -2.661) 14.939 15.300 ( 1.325 -0.834 1.764) 2.358 15.545 ( -0.523 2.556 -0.971) 2.784 16.202 ( -1.330 7.174 4.842) 8.757 16.353 ( 3.291 -0.338 2.348) 4.057 16.458 ( 1.027 0.011 -0.925) 1.382 16.899 ( -3.092 -7.504 -5.821) 9.988 ======================= Grid point 510 (253/294) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -5.756 0.856 -0.640) 5.854 1.742 ( 5.344 -0.970 1.529) 5.643 2.018 ( -2.439 -0.194 -7.886) 8.257 2.848 ( -1.447 1.115 1.280) 2.231 3.075 ( 3.130 -1.563 1.460) 3.791 3.442 ( -2.874 -3.600 6.041) 7.597 4.274 ( -1.387 -4.217 0.301) 4.450 4.507 ( -1.800 4.576 -2.838) 5.677 4.879 ( -0.695 -6.779 -1.924) 7.081 5.457 ( 0.349 0.848 1.174) 1.489 5.776 ( 6.771 -2.054 -0.253) 7.080 5.993 ( -3.489 6.017 -6.238) 9.343 6.317 ( -1.782 1.839 -0.753) 2.669 6.773 ( -5.964 2.626 -3.493) 7.394 7.037 ( 6.620 -1.687 -1.559) 7.007 9.459 ( -1.333 -6.398 5.086) 8.281 9.878 ( -7.341 4.519 2.873) 9.087 10.092 ( 7.902 -1.668 -3.121) 8.658 15.288 ( -2.194 0.979 -2.990) 3.836 15.592 ( 3.505 -0.875 5.263) 6.383 16.246 ( -3.549 4.161 5.038) 7.436 16.368 ( -0.954 -2.745 2.274) 3.690 16.492 ( 1.280 0.522 -0.514) 1.475 16.787 ( 1.635 -1.881 -8.280) 8.647 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -2.121 1.749 14.552) 14.810 1.680 ( -3.391 2.896 7.754) 8.945 2.125 ( -2.505 1.118 3.213) 4.225 2.893 ( 0.515 0.693 -1.061) 1.368 2.899 ( 0.360 0.705 -0.953) 1.239 3.811 ( 5.547 -5.603 -3.078) 8.464 4.156 ( 1.437 1.119 7.425) 7.645 4.554 ( -6.138 1.664 -0.877) 6.420 5.263 ( 6.749 -7.718 1.695) 10.392 5.631 ( 9.526 0.951 4.115) 10.420 5.855 ( -2.661 -3.489 -3.250) 5.461 6.203 ( -6.285 -11.558 -9.372) 16.153 6.334 ( 1.461 3.534 2.699) 4.681 6.585 ( 1.639 0.306 -1.799) 2.453 6.865 ( -5.746 1.837 -2.369) 6.481 9.084 ( 1.243 6.159 3.173) 7.039 9.791 ( -9.975 7.463 -2.924) 12.796 10.776 ( 14.112 -13.202 -2.442) 19.478 15.251 ( -3.490 -1.814 5.066) 6.413 15.481 ( 1.672 6.297 -2.042) 6.828 16.016 ( 0.927 4.500 1.238) 4.758 16.214 ( -5.213 2.588 -0.339) 5.829 16.496 ( 0.444 -1.682 0.440) 1.794 17.205 ( 4.208 -8.092 -1.305) 9.214 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.833 1.102 14.013) 14.080 1.705 ( -3.477 2.167 10.587) 11.353 2.086 ( -1.773 -2.599 -1.531) 3.499 2.887 ( 0.042 0.783 -1.615) 1.795 2.936 ( 1.066 3.222 -0.765) 3.479 3.786 ( 1.352 -5.778 -3.040) 6.667 4.266 ( 3.466 2.524 5.646) 7.089 4.492 ( -2.434 1.077 0.449) 2.699 5.249 ( 1.555 -11.399 1.408) 11.591 5.751 ( -4.387 -3.139 -1.037) 5.493 5.837 ( 6.843 -4.070 6.224) 10.106 5.957 ( 1.070 -7.753 -7.380) 10.758 6.304 ( -3.394 -2.961 -0.916) 4.596 6.663 ( 0.239 2.486 1.728) 3.037 6.803 ( -1.070 4.789 -2.764) 5.632 9.230 ( 5.942 8.734 1.399) 10.656 9.674 ( -10.655 9.741 -4.862) 15.233 10.795 ( 7.168 -18.058 -1.060) 19.458 15.212 ( -2.186 -2.185 4.682) 5.610 15.567 ( 1.984 7.767 -2.912) 8.529 16.097 ( 1.520 6.321 1.390) 6.649 16.146 ( -5.292 3.115 -1.460) 6.311 16.485 ( 0.232 -2.450 0.820) 2.594 17.174 ( 2.908 -10.435 0.024) 10.833 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 2.356 0.951 11.121) 11.407 1.725 ( -3.599 -0.013 12.109) 12.633 2.012 ( -0.666 -4.406 -4.813) 6.560 2.895 ( 1.174 0.868 -1.555) 2.133 2.973 ( -0.219 4.068 -1.259) 4.264 3.731 ( -0.934 -3.754 -1.500) 4.149 4.346 ( 2.972 -0.139 0.196) 2.982 4.500 ( -0.072 1.517 2.090) 2.583 5.138 ( -0.431 -14.328 1.178) 14.383 5.649 ( -5.281 -2.043 1.607) 5.887 5.713 ( -5.393 -6.262 0.818) 8.304 6.104 ( 5.450 -3.021 3.528) 7.161 6.253 ( 8.630 -2.923 -4.562) 10.190 6.611 ( -5.297 -1.150 0.525) 5.446 6.884 ( 1.924 7.445 -0.987) 7.752 9.423 ( 7.452 7.784 -3.767) 11.415 9.601 ( -7.444 11.279 0.738) 13.534 10.660 ( -0.731 -19.628 -1.522) 19.700 15.202 ( -0.116 -1.995 4.915) 5.306 15.634 ( -0.246 7.720 -5.404) 9.427 16.105 ( -1.521 3.342 -1.313) 3.900 16.193 ( 0.811 7.059 2.533) 7.543 16.470 ( 0.113 -2.474 1.009) 2.674 17.102 ( 0.801 -11.474 0.149) 11.503 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 0.478 -0.345 9.820) 9.837 1.739 ( -1.162 -0.480 6.978) 7.090 1.941 ( 1.207 -4.831 -4.271) 6.560 2.921 ( 1.762 0.809 -0.795) 2.096 2.986 ( -1.473 3.736 -1.918) 4.450 3.665 ( -3.351 -2.269 0.093) 4.048 4.373 ( 3.181 -3.534 -3.220) 5.742 4.508 ( -1.801 1.699 1.058) 2.693 5.010 ( -0.014 -13.678 1.688) 13.782 5.564 ( -4.138 -1.819 2.570) 5.200 5.626 ( -3.363 -1.071 4.690) 5.870 6.070 ( -1.906 -1.216 -2.136) 3.110 6.460 ( 16.916 -3.147 -1.498) 17.271 6.514 ( -4.825 -1.948 0.320) 5.213 6.950 ( -0.956 5.866 -1.102) 6.045 9.498 ( -0.730 8.244 -8.436) 11.818 9.710 ( 3.809 7.583 8.370) 11.919 10.411 ( -6.350 -17.270 -2.596) 18.583 15.229 ( 1.775 -1.806 5.446) 6.006 15.630 ( -3.171 6.185 -7.366) 10.127 16.154 ( 3.540 4.173 -0.335) 5.482 16.279 ( -0.239 6.570 3.141) 7.286 16.456 ( -0.068 -1.795 0.992) 2.052 16.988 ( -1.439 -11.521 -0.660) 11.629 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -0.753 -3.053 9.939) 10.425 1.745 ( -1.541 2.768 -2.916) 4.306 1.931 ( 4.629 -4.465 -0.926) 6.497 2.941 ( -1.445 2.216 -0.795) 2.762 2.985 ( 0.772 0.936 -1.096) 1.636 3.581 ( -4.663 -2.532 1.225) 5.446 4.329 ( -0.546 -6.246 -1.229) 6.389 4.517 ( -0.085 4.288 -2.399) 4.914 4.896 ( 0.049 -12.541 0.801) 12.567 5.526 ( -3.084 1.506 4.779) 5.884 5.625 ( 0.022 0.519 4.150) 4.183 6.041 ( -0.132 2.338 -3.480) 4.195 6.424 ( -4.287 -1.449 0.079) 4.525 6.675 ( 14.542 -3.746 -2.062) 15.158 6.948 ( -3.594 3.443 -1.398) 5.169 9.507 ( -1.094 4.552 -5.412) 7.156 9.879 ( 4.490 1.935 8.516) 9.820 10.146 ( -7.603 -8.431 -3.309) 11.825 15.282 ( 2.276 -1.353 5.172) 5.810 15.582 ( -2.936 4.029 -6.394) 8.108 16.270 ( 5.808 3.410 -0.347) 6.744 16.340 ( -1.573 5.472 3.244) 6.553 16.448 ( -0.122 -0.459 0.661) 0.814 16.841 ( -2.865 -10.082 -1.731) 10.624 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 1.776 -3.753 6.829) 7.992 1.719 ( -3.763 5.742 -2.822) 7.423 1.958 ( 3.388 -2.681 -3.865) 5.797 2.913 ( -3.501 2.749 -0.308) 4.462 3.013 ( 2.827 -1.747 0.274) 3.335 3.486 ( -3.913 -4.607 1.750) 6.293 4.266 ( -1.257 -2.999 1.919) 3.776 4.532 ( -0.283 3.862 -6.049) 7.182 4.795 ( 0.669 -10.777 1.240) 10.868 5.540 ( -3.710 5.716 5.715) 8.894 5.679 ( 4.163 0.354 1.586) 4.469 6.054 ( -0.806 5.511 -4.403) 7.099 6.359 ( -2.511 -0.217 0.697) 2.615 6.817 ( 6.002 -1.606 -4.200) 7.500 6.904 ( -0.186 -0.728 -0.099) 0.758 9.446 ( -2.875 -5.687 -3.327) 7.189 9.974 ( 3.761 -3.747 4.936) 7.249 10.033 ( -4.101 6.897 0.032) 8.024 15.316 ( -0.651 0.585 1.142) 1.438 15.562 ( 1.215 0.501 -0.672) 1.476 16.353 ( 1.781 -2.194 1.713) 3.305 16.363 ( -2.793 3.622 0.951) 4.672 16.464 ( 1.765 0.966 -0.760) 2.151 16.720 ( -1.044 -3.447 -2.213) 4.227 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -5.600 4.110 9.902) 12.095 1.767 ( -0.282 2.090 3.818) 4.362 2.129 ( -0.157 -4.227 -5.807) 7.185 2.875 ( 2.339 2.199 1.706) 3.635 2.929 ( -2.645 0.333 0.457) 2.705 3.658 ( 6.545 -4.381 0.661) 7.904 4.187 ( 1.105 0.636 6.723) 6.843 4.628 ( -4.997 -1.266 -4.991) 7.175 5.050 ( 10.588 -7.344 -0.291) 12.889 5.582 ( 1.512 2.757 0.971) 3.291 5.841 ( -2.791 -1.449 -5.463) 6.303 6.154 ( -5.923 -9.476 -7.760) 13.605 6.344 ( 6.221 6.929 4.169) 10.202 6.557 ( -0.301 -2.158 -1.984) 2.947 6.955 ( -5.488 0.016 -1.004) 5.579 9.185 ( -2.599 5.852 6.837) 9.367 9.956 ( -3.778 1.460 4.500) 6.054 10.414 ( 11.890 -7.968 -10.065) 17.497 15.334 ( -4.905 -1.985 5.219) 7.432 15.471 ( 3.319 5.087 -4.304) 7.445 16.068 ( 0.265 5.421 3.129) 6.265 16.314 ( -3.745 1.452 2.378) 4.667 16.477 ( 0.240 -1.186 -0.329) 1.254 17.053 ( 3.614 -7.318 -3.847) 9.023 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -2.468 1.688 11.427) 11.812 1.810 ( -0.687 2.458 5.252) 5.839 2.037 ( -0.259 -6.170 -6.944) 9.293 2.896 ( -1.572 0.023 -0.582) 1.676 2.947 ( 1.809 3.851 1.051) 4.382 3.685 ( 3.099 -4.581 -1.712) 5.790 4.283 ( 2.708 2.687 6.725) 7.732 4.510 ( -2.706 -3.485 -2.999) 5.335 5.112 ( 4.848 -9.328 0.560) 10.527 5.679 ( 8.770 0.321 -0.215) 8.778 5.742 ( -2.032 -3.141 -6.354) 7.373 5.936 ( -6.973 -6.312 -1.613) 9.543 6.362 ( -5.016 -3.265 3.137) 6.757 6.669 ( 5.639 6.546 2.254) 8.929 6.864 ( -4.420 0.829 -1.080) 4.625 9.273 ( 0.999 7.885 4.832) 9.301 9.878 ( -8.364 5.577 -2.847) 10.448 10.466 ( 11.359 -14.960 -4.465) 19.307 15.270 ( -3.880 -2.175 4.547) 6.361 15.557 ( 3.890 6.106 -4.989) 8.792 16.160 ( 0.712 7.844 2.910) 8.397 16.257 ( -5.633 2.403 -0.380) 6.136 16.466 ( 0.079 -1.890 0.417) 1.937 17.017 ( 3.867 -10.429 -0.813) 11.153 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.171 -0.422 9.703) 9.714 1.840 ( -1.734 1.391 4.361) 4.895 1.937 ( -0.648 -6.304 -3.405) 7.194 2.877 ( 0.168 0.008 -1.475) 1.485 3.008 ( 0.423 4.578 -0.424) 4.617 3.675 ( 2.178 -3.246 -2.716) 4.759 4.343 ( -1.584 0.484 2.384) 2.903 4.478 ( 3.437 -2.744 0.936) 4.497 5.038 ( -1.525 -10.918 0.809) 11.054 5.643 ( -0.480 -4.020 -5.760) 7.041 5.799 ( -4.894 -1.258 1.806) 5.366 5.882 ( 13.427 -1.467 2.805) 13.795 6.248 ( -6.500 -3.787 2.915) 8.067 6.695 ( -5.529 -1.024 1.588) 5.843 6.908 ( 3.357 7.054 0.407) 7.823 9.402 ( 3.061 7.972 -0.050) 8.539 9.805 ( -6.144 7.359 0.483) 9.599 10.424 ( 5.424 -17.271 -4.955) 18.769 15.230 ( -1.978 -2.008 4.818) 5.582 15.640 ( 2.992 6.522 -7.151) 10.131 16.168 ( -4.720 3.072 -2.893) 6.331 16.283 ( 0.375 8.310 4.019) 9.238 16.452 ( 0.148 -2.088 1.001) 2.320 16.968 ( 2.598 -11.925 1.253) 12.268 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 2.332 -1.703 5.802) 6.481 1.832 ( -3.051 0.374 3.855) 4.930 1.863 ( -0.720 -5.713 1.049) 5.853 2.886 ( 1.879 0.304 -1.711) 2.560 3.038 ( -1.214 4.757 -1.932) 5.276 3.657 ( 0.821 -2.939 -2.974) 4.261 4.313 ( -0.855 -1.485 -1.318) 2.162 4.522 ( 2.098 -1.664 2.718) 3.816 4.908 ( -2.188 -10.989 1.702) 11.333 5.580 ( -1.211 -2.250 -1.133) 2.795 5.751 ( -3.808 2.368 5.074) 6.771 6.087 ( 3.900 -3.424 4.515) 6.879 6.165 ( 7.156 -2.605 -1.176) 7.706 6.590 ( -6.020 -1.825 0.789) 6.340 7.005 ( 0.498 5.411 0.380) 5.448 9.490 ( 1.719 7.123 -7.821) 10.717 9.840 ( -1.614 5.498 10.600) 12.050 10.277 ( 0.205 -14.324 -7.306) 16.081 15.228 ( 0.243 -1.932 5.531) 5.864 15.673 ( -0.559 6.187 -9.406) 11.273 16.135 ( 0.141 2.558 -2.580) 3.636 16.381 ( -0.659 7.578 3.118) 8.221 16.447 ( 0.426 -1.131 1.128) 1.653 16.891 ( 0.261 -11.827 2.627) 12.119 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 1.634 -2.308 3.913) 4.828 1.790 ( -2.520 -5.576 9.678) 11.450 1.843 ( 1.115 1.665 -3.999) 4.473 2.917 ( 2.518 0.261 -1.347) 2.867 3.035 ( -2.710 4.329 -2.502) 5.687 3.599 ( -1.683 -4.349 -3.455) 5.804 4.282 ( 0.103 -1.813 -1.848) 2.591 4.549 ( 0.144 0.736 2.748) 2.848 4.785 ( -1.440 -11.296 1.338) 11.465 5.559 ( -0.044 0.116 2.346) 2.350 5.766 ( -4.342 5.602 7.100) 10.032 6.046 ( -1.751 -0.869 1.579) 2.513 6.371 ( 16.240 -4.406 -0.652) 16.840 6.486 ( -4.915 -1.496 -0.025) 5.138 7.024 ( -2.772 2.831 -0.394) 3.982 9.502 ( -0.461 4.094 -10.052) 10.863 9.916 ( 0.298 -6.203 12.884) 14.302 10.140 ( -1.627 1.018 -6.204) 6.494 15.265 ( 2.061 -1.966 6.325) 6.937 15.631 ( -3.400 4.954 -9.608) 11.332 16.188 ( 4.994 2.105 -2.534) 5.983 16.423 ( -1.189 2.158 1.630) 2.954 16.459 ( -0.170 1.803 -1.091) 2.114 16.799 ( -2.074 -8.502 5.151) 10.155 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -1.056 -6.687 6.963) 9.712 1.810 ( 3.612 -0.239 1.907) 4.091 1.859 ( -0.437 3.731 -2.100) 4.303 2.949 ( 2.117 -0.211 -0.950) 2.330 3.006 ( -3.462 3.187 -1.695) 5.001 3.486 ( -3.046 -6.609 -3.545) 8.095 4.269 ( 0.580 -0.328 0.139) 0.681 4.561 ( -3.104 3.035 -0.789) 4.412 4.680 ( 1.524 -11.071 2.070) 11.365 5.617 ( 3.141 2.856 3.892) 5.759 5.773 ( -7.348 6.793 7.358) 12.421 6.065 ( 2.028 2.576 -0.473) 3.312 6.404 ( -3.277 -1.529 1.367) 3.866 6.574 ( 14.204 -3.735 -2.642) 14.922 6.970 ( -4.976 0.192 -0.650) 5.022 9.411 ( -3.595 -4.291 -8.814) 10.442 9.913 ( 2.950 -5.975 4.028) 7.787 10.168 ( -2.559 9.403 2.723) 10.118 15.322 ( 2.007 -1.452 5.777) 6.286 15.565 ( -2.397 2.925 -7.105) 8.049 16.280 ( 5.575 0.201 -1.557) 5.792 16.399 ( -2.409 -1.675 -4.880) 5.694 16.449 ( 0.483 -0.655 -0.339) 0.882 16.754 ( -2.871 0.159 7.626) 8.150 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -3.392 4.808 3.138) 6.668 1.792 ( -0.380 2.003 2.225) 3.017 1.984 ( 3.550 -8.795 -10.890) 14.441 2.883 ( 1.403 3.067 2.470) 4.180 2.993 ( -4.092 -0.027 2.082) 4.591 3.528 ( 6.523 -3.907 4.185) 8.679 4.212 ( 0.831 0.529 5.608) 5.694 4.638 ( -1.220 -0.644 -6.484) 6.629 4.820 ( 6.575 -7.907 -2.549) 10.595 5.602 ( -0.577 2.685 -2.358) 3.619 5.877 ( -5.663 0.872 -5.175) 7.721 6.120 ( -4.108 -5.925 -6.932) 10.002 6.321 ( 8.929 10.103 4.383) 14.178 6.517 ( -0.109 -4.424 -3.033) 5.365 7.022 ( -4.018 -1.860 -0.119) 4.429 9.328 ( -3.421 2.073 9.018) 9.866 9.923 ( 11.409 -5.110 11.340) 16.878 10.242 ( -5.049 2.278 -16.257) 17.175 15.378 ( 0.894 0.026 -5.211) 5.287 15.479 ( -2.389 1.482 6.250) 6.853 16.133 ( 0.684 5.507 3.518) 6.571 16.374 ( 0.159 -1.276 6.157) 6.290 16.463 ( -0.346 -0.602 -1.487) 1.642 16.923 ( 0.750 -4.516 -7.730) 8.984 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -5.160 2.927 6.473) 8.780 1.815 ( 1.722 -1.156 -4.847) 5.273 1.922 ( 3.050 -4.327 -2.780) 5.979 2.929 ( -2.580 -0.398 0.392) 2.639 2.960 ( 1.262 2.982 1.674) 3.645 3.586 ( 3.643 -4.605 0.826) 5.930 4.286 ( 3.300 1.199 4.321) 5.568 4.513 ( -4.690 -3.583 -2.810) 6.537 4.912 ( 10.236 -6.452 -0.802) 12.126 5.606 ( 0.531 1.719 -3.852) 4.252 5.724 ( -5.049 -3.269 -6.817) 9.091 5.998 ( -4.891 -1.244 0.909) 5.128 6.411 ( -2.516 -3.182 1.810) 4.442 6.634 ( 9.163 8.822 2.189) 12.907 6.934 ( -4.582 -1.749 0.313) 4.914 9.374 ( -0.712 3.844 7.782) 8.709 10.015 ( -4.675 -0.420 3.848) 6.070 10.142 ( 8.068 -6.231 -11.730) 15.541 15.335 ( -3.160 -1.526 1.141) 3.690 15.521 ( 2.467 3.586 -1.545) 4.619 16.237 ( 1.556 7.842 3.139) 8.589 16.357 ( -4.185 0.436 1.530) 4.477 16.454 ( -0.080 -0.817 -0.021) 0.821 16.857 ( 2.973 -8.425 -3.331) 9.535 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -3.503 -1.191 6.846) 7.782 1.780 ( 3.057 -1.588 -10.360) 10.917 1.951 ( -0.234 -1.127 7.642) 7.728 2.878 ( -1.849 -0.964 -0.782) 2.228 3.029 ( 1.859 3.704 0.022) 4.144 3.582 ( 2.412 -4.099 -3.412) 5.853 4.368 ( 5.145 -4.334 0.169) 6.730 4.423 ( -4.294 1.026 3.885) 5.881 4.962 ( 3.069 -6.662 0.409) 7.346 5.545 ( 0.474 -3.953 -7.176) 8.206 5.714 ( 5.540 2.403 -1.226) 6.162 5.925 ( -5.829 -0.137 5.020) 7.694 6.332 ( -4.739 -3.053 2.583) 6.201 6.780 ( -3.343 -0.285 3.413) 4.786 6.912 ( 3.728 5.585 0.813) 6.764 9.452 ( 0.596 5.048 3.000) 5.902 9.937 ( -4.563 1.695 1.207) 5.015 10.146 ( 6.896 -9.974 -7.729) 14.379 15.280 ( -3.082 -1.851 3.599) 5.087 15.591 ( 3.861 4.524 -5.773) 8.289 16.271 ( -6.300 2.364 -2.590) 7.210 16.360 ( 1.868 6.942 1.958) 7.451 16.442 ( -0.359 -0.790 0.773) 1.162 16.823 ( 3.540 -10.017 2.292) 10.869 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -0.328 -3.992 4.009) 5.667 1.785 ( 2.796 2.462 -6.042) 7.098 1.949 ( -4.107 -4.220 11.094) 12.560 2.854 ( 0.636 -0.148 -1.872) 1.983 3.080 ( 0.288 4.229 -1.695) 4.566 3.559 ( 2.988 -4.278 -5.928) 7.898 4.334 ( -2.117 -2.334 -0.882) 3.272 4.458 ( 2.992 -2.157 4.040) 5.470 4.907 ( -3.408 -4.818 2.920) 6.584 5.526 ( 3.797 -1.940 -3.437) 5.477 5.837 ( 0.973 1.933 2.739) 3.490 5.896 ( 5.383 -1.132 3.521) 6.531 6.240 ( -6.283 -1.593 4.166) 7.705 6.683 ( -6.719 -2.517 2.403) 7.567 7.037 ( 2.309 5.061 1.434) 5.744 9.505 ( 0.155 6.186 -5.189) 8.076 9.911 ( -0.230 -8.749 7.046) 11.236 10.115 ( 2.993 0.465 -7.271) 7.877 15.250 ( -1.393 -1.982 4.927) 5.490 15.649 ( 2.746 4.817 -8.825) 10.423 16.177 ( -4.560 1.821 -3.576) 6.074 16.426 ( 1.470 -0.978 -0.798) 1.938 16.460 ( -0.288 4.880 0.814) 4.956 16.808 ( 1.641 -7.845 7.111) 10.715 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 3.215 -4.742 2.619) 6.299 1.810 ( -1.506 -2.728 2.624) 4.074 1.896 ( -3.119 0.075 6.368) 7.091 2.871 ( 2.317 0.733 -2.116) 3.222 3.096 ( -1.506 4.198 -2.959) 5.352 3.518 ( 1.659 -5.127 -6.683) 8.585 4.273 ( -1.941 -0.595 -3.021) 3.640 4.504 ( 4.163 -5.014 3.693) 7.491 4.819 ( -6.574 -1.980 5.554) 8.831 5.563 ( 2.196 0.502 0.806) 2.392 5.857 ( 0.418 1.210 5.633) 5.777 6.073 ( 10.713 -2.318 2.553) 11.254 6.165 ( -3.933 1.703 3.724) 5.678 6.564 ( -6.429 -2.460 1.675) 7.085 7.083 ( -1.493 2.303 0.552) 2.799 9.509 ( -2.040 5.653 -9.164) 10.959 9.816 ( 2.686 -15.114 -1.117) 15.391 10.199 ( 1.053 9.129 4.335) 10.161 15.258 ( 0.752 -2.264 6.083) 6.534 15.652 ( -0.728 4.394 -10.531) 11.434 16.139 ( 0.782 1.451 -3.157) 3.561 16.423 ( 1.254 -2.596 -2.764) 3.994 16.469 ( -1.594 0.572 -0.838) 1.889 16.823 ( -0.625 -1.762 10.392) 10.559 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 2.786 -5.974 3.095) 7.282 1.713 ( -1.741 -11.315 7.479) 13.675 1.951 ( -0.032 8.858 0.157) 8.859 2.906 ( 2.317 0.611 -1.712) 2.945 3.077 ( -2.803 3.252 -3.030) 5.255 3.431 ( -1.423 -5.609 -6.340) 8.584 4.237 ( 0.859 -0.132 -4.293) 4.380 4.543 ( 4.444 -6.419 3.523) 8.565 4.723 ( -8.968 1.164 5.886) 10.790 5.621 ( 2.160 2.039 3.128) 4.313 5.941 ( 2.249 3.389 5.105) 6.527 6.095 ( -4.260 1.726 7.611) 8.891 6.308 ( 12.906 -0.572 -0.257) 12.921 6.458 ( -4.686 -1.831 0.478) 5.054 7.043 ( -4.460 -0.371 -0.204) 4.480 9.397 ( -6.028 -2.832 -9.795) 11.845 9.785 ( 6.916 -5.204 -3.473) 9.326 10.321 ( -1.507 9.009 7.542) 11.845 15.302 ( 2.469 -2.654 6.994) 7.878 15.593 ( -2.937 3.382 -9.822) 10.795 16.182 ( 4.850 0.830 -3.002) 5.764 16.348 ( -1.315 -6.032 -7.609) 9.799 16.458 ( -0.758 0.426 2.316) 2.473 16.869 ( -2.132 2.762 10.100) 10.686 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -0.000 0.000 13.838) 13.838 1.318 ( -0.000 0.000 13.838) 13.838 1.960 ( -0.000 0.000 18.966) 18.966 2.901 ( 0.000 -0.000 -3.711) 3.711 2.901 ( 0.000 -0.000 -3.711) 3.711 4.151 ( 0.000 -0.000 -5.718) 5.718 4.169 ( -0.000 0.000 6.553) 6.553 4.169 ( -0.000 0.000 6.553) 6.553 5.520 ( -0.000 0.000 3.464) 3.464 5.923 ( -0.000 0.000 6.368) 6.368 5.923 ( -0.000 0.000 6.368) 6.368 6.357 ( 0.000 -0.000 -1.758) 1.758 6.499 ( 0.000 -0.000 -8.143) 8.143 6.499 ( 0.000 -0.000 -8.143) 8.143 6.653 ( 0.000 -0.000 -4.149) 4.149 9.141 ( 0.000 -0.000 -3.806) 3.806 9.141 ( 0.000 0.000 -3.806) 3.806 11.420 ( -0.000 0.000 0.702) 0.702 15.272 ( -0.000 0.000 3.966) 3.966 15.272 ( -0.000 0.000 3.966) 3.966 15.997 ( 0.000 -0.000 -2.108) 2.108 15.997 ( 0.000 -0.000 -2.108) 2.108 16.547 ( -0.000 0.000 1.622) 1.622 17.490 ( 0.000 -0.000 -1.348) 1.348 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -3.002 -0.363 15.197) 15.495 1.495 ( 5.906 1.885 9.515) 11.356 2.065 ( 0.502 -0.250 14.245) 14.256 2.874 ( 0.136 0.073 -2.627) 2.631 2.897 ( 0.565 0.701 -3.516) 3.629 4.021 ( -4.847 -5.510 -3.379) 8.079 4.185 ( -2.476 3.531 5.807) 7.233 4.337 ( 7.994 2.941 3.528) 9.220 5.495 ( -4.122 -2.082 3.004) 5.509 5.822 ( -5.441 -9.944 6.170) 12.906 5.998 ( -5.035 4.084 2.890) 7.098 6.245 ( 0.793 -8.912 -1.354) 9.049 6.428 ( -6.147 10.771 -7.186) 14.333 6.565 ( 5.458 -2.143 -7.107) 9.214 6.665 ( 4.496 2.535 -2.584) 5.772 9.045 ( -2.936 0.298 -0.747) 3.044 9.321 ( 13.821 5.915 -5.723) 16.086 11.306 ( -10.526 -6.348 1.042) 12.336 15.259 ( -0.550 -0.453 4.504) 4.560 15.353 ( 2.599 1.497 2.076) 3.648 15.961 ( -0.215 -0.935 -1.166) 1.510 16.054 ( 4.206 3.063 -2.208) 5.652 16.544 ( -0.974 -0.530 1.252) 1.672 17.436 ( -4.123 -2.142 -1.022) 4.757 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -1.037 0.908 15.639) 15.700 1.644 ( 5.324 1.014 4.813) 7.248 2.134 ( 0.944 -0.712 6.365) 6.474 2.879 ( 0.932 0.900 -0.731) 1.488 2.887 ( -0.158 0.592 -2.223) 2.306 3.864 ( -5.481 -5.623 -2.982) 8.400 4.216 ( -1.916 3.254 5.504) 6.675 4.501 ( 6.412 3.366 0.891) 7.296 5.382 ( -7.772 -5.040 1.271) 9.350 5.653 ( -6.027 -9.904 5.372) 12.777 5.916 ( -4.691 0.500 -3.311) 5.764 6.224 ( 3.297 -8.070 1.656) 8.874 6.369 ( -6.688 7.841 -6.957) 12.434 6.595 ( 0.846 4.836 -2.628) 5.568 6.777 ( 7.720 2.321 -3.216) 8.679 9.048 ( 0.726 2.492 3.473) 4.335 9.586 ( 15.348 6.467 -6.748) 17.970 11.000 ( -17.431 -10.777 1.110) 20.523 15.297 ( 1.693 0.259 5.431) 5.695 15.398 ( 1.054 1.048 -1.343) 2.003 15.965 ( 1.553 -0.199 0.979) 1.847 16.155 ( 5.542 3.758 -1.756) 6.922 16.523 ( -1.434 -0.773 0.588) 1.732 17.315 ( -6.736 -3.250 -1.204) 7.575 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 1.428 1.417 13.162) 13.315 1.733 ( 3.009 -0.338 0.939) 3.170 2.148 ( -0.601 -0.221 -2.688) 2.763 2.864 ( -0.890 -0.888 0.000) 1.258 2.925 ( 2.015 2.372 0.976) 3.262 3.715 ( -5.080 -5.454 -0.312) 7.460 4.245 ( -1.895 2.684 5.016) 5.996 4.598 ( 3.086 1.857 -3.112) 4.760 5.168 ( -10.580 -7.322 -0.596) 12.880 5.561 ( -1.045 -3.994 3.792) 5.606 5.848 ( -1.690 1.186 -4.193) 4.673 6.189 ( 3.511 -12.501 0.750) 13.007 6.289 ( -6.407 6.834 -6.774) 11.560 6.628 ( -2.459 6.643 -1.707) 7.286 6.907 ( 6.836 3.006 -2.051) 7.744 9.153 ( 4.246 3.813 7.494) 9.419 9.836 ( 13.064 5.693 -6.151) 15.522 10.587 ( -19.883 -12.565 0.341) 23.523 15.368 ( 3.210 -3.069 1.657) 4.740 15.403 ( -0.449 4.424 0.735) 4.508 16.014 ( 2.638 0.523 2.771) 3.862 16.275 ( 5.678 3.504 -0.336) 6.681 16.494 ( -1.345 -0.781 -0.211) 1.570 17.151 ( -7.913 -3.675 -2.693) 9.131 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 2.630 0.464 6.054) 6.617 1.758 ( 1.955 -1.306 0.630) 2.434 2.061 ( -5.989 0.718 -10.013) 11.690 2.853 ( 0.600 -1.732 2.022) 2.729 3.000 ( 2.746 3.353 2.206) 4.863 3.598 ( -4.392 -5.250 3.457) 7.669 4.264 ( -1.923 2.074 4.255) 5.110 4.596 ( 0.081 -2.402 -5.310) 5.828 4.944 ( -9.246 -2.207 -2.543) 9.841 5.557 ( 1.173 -1.970 1.288) 2.630 5.840 ( 1.258 3.176 -4.768) 5.866 6.127 ( 4.476 -14.579 0.563) 15.261 6.211 ( -5.549 5.668 -6.389) 10.186 6.614 ( -4.662 5.519 -2.254) 7.568 7.018 ( 4.268 3.027 -1.065) 5.339 9.328 ( 5.862 4.229 9.592) 12.011 10.037 ( 9.321 4.309 -2.807) 10.646 10.161 ( -17.099 -11.447 -2.164) 20.691 15.331 ( -0.670 -2.039 -5.792) 6.177 15.510 ( 3.226 3.415 8.453) 9.671 16.082 ( 2.529 0.639 3.299) 4.206 16.390 ( 3.957 2.280 2.403) 5.161 16.465 ( -0.845 -0.453 -1.307) 1.621 16.969 ( -7.061 -3.193 -5.808) 9.685 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 1.276 -1.332 12.525) 12.660 1.545 ( -1.415 4.951 8.954) 10.329 2.134 ( -0.424 -2.092 11.225) 11.426 2.859 ( 0.086 0.722 -2.563) 2.664 2.881 ( 0.254 1.630 -3.045) 3.463 3.986 ( -1.169 -7.883 -2.845) 8.462 4.269 ( 5.466 2.471 4.611) 7.566 4.320 ( -3.870 6.008 3.384) 7.907 5.512 ( 0.241 -4.981 2.848) 5.743 5.851 ( -4.243 -8.921 5.009) 11.076 6.087 ( 4.890 3.006 6.824) 8.918 6.151 ( -6.162 -12.967 -4.592) 15.073 6.364 ( 8.392 -0.989 -7.524) 11.314 6.573 ( -4.701 8.663 -6.074) 11.577 6.627 ( 1.630 1.404 -1.351) 2.540 9.123 ( 4.080 6.196 -0.400) 7.429 9.217 ( -4.180 7.833 -5.480) 10.433 11.315 ( -0.156 -11.566 0.847) 11.598 15.263 ( -0.133 -2.748 4.189) 5.011 15.390 ( 0.051 5.271 1.354) 5.443 15.978 ( -1.376 1.992 -0.826) 2.558 16.018 ( 1.244 2.963 -2.190) 3.889 16.550 ( 0.019 -1.486 1.124) 1.863 17.428 ( 0.156 -4.999 -0.771) 5.061 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 0.359 0.871 12.971) 13.005 1.627 ( 1.217 3.271 4.781) 5.919 2.144 ( -0.432 -4.301 5.363) 6.888 2.870 ( 1.121 1.715 -1.047) 2.300 2.887 ( 0.049 2.035 -2.253) 3.037 3.859 ( -3.510 -7.314 -1.836) 8.318 4.318 ( -2.121 4.511 1.953) 5.354 4.434 ( 5.747 3.166 2.409) 6.989 5.434 ( -4.510 -7.678 1.479) 9.027 5.702 ( -6.546 -9.187 6.303) 12.922 5.932 ( -3.297 -9.252 -2.434) 10.119 6.141 ( -1.203 -3.026 -0.728) 3.337 6.468 ( 1.376 1.976 -4.216) 4.855 6.553 ( 5.408 4.601 -2.343) 7.477 6.693 ( 2.189 5.031 -2.421) 5.997 9.150 ( -4.612 9.029 1.041) 10.192 9.379 ( 13.117 7.765 -5.043) 16.055 11.109 ( -9.760 -15.535 1.126) 18.381 15.276 ( 1.671 -2.369 4.433) 5.297 15.435 ( -0.916 5.149 -1.060) 5.336 15.976 ( -0.560 2.825 1.089) 3.079 16.095 ( 4.588 4.066 -2.189) 6.510 16.533 ( -0.754 -1.878 0.688) 2.138 17.344 ( -3.229 -6.456 -0.783) 7.261 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -1.087 1.014 13.909) 13.988 1.690 ( 2.249 1.460 -0.967) 2.850 2.116 ( 0.433 -4.103 -1.170) 4.289 2.879 ( -1.088 1.141 -1.304) 2.046 2.920 ( 2.073 2.490 0.564) 3.289 3.728 ( -3.915 -6.122 -0.125) 7.268 4.339 ( -2.135 4.693 1.619) 5.404 4.531 ( 3.821 -0.548 -1.561) 4.164 5.250 ( -8.466 -8.420 0.522) 11.952 5.586 ( -3.776 -5.170 6.187) 8.903 5.829 ( 0.546 -7.263 -0.010) 7.284 6.056 ( -1.196 -5.398 -4.947) 7.419 6.408 ( -5.814 3.819 -4.212) 8.132 6.719 ( 0.394 8.065 -0.188) 8.076 6.765 ( 9.533 0.277 -3.013) 10.001 9.210 ( 0.238 7.942 4.222) 8.998 9.640 ( 13.142 7.778 -5.142) 16.113 10.752 ( -15.709 -16.940 1.545) 23.154 15.313 ( 1.999 -2.027 2.637) 3.881 15.453 ( -0.505 4.276 -0.789) 4.378 16.027 ( 0.897 4.262 3.137) 5.367 16.205 ( 5.872 3.905 -1.946) 7.315 16.502 ( -1.122 -1.740 0.061) 2.071 17.199 ( -5.788 -7.191 -1.646) 9.377 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -1.759 0.439 5.354) 5.653 1.720 ( 2.034 -0.991 1.915) 2.964 2.062 ( -1.171 -1.607 -7.419) 7.680 2.859 ( -1.314 0.111 0.454) 1.395 2.992 ( 3.108 2.625 1.374) 4.294 3.624 ( -3.241 -5.354 2.793) 6.854 4.351 ( -2.751 4.035 1.418) 5.085 4.525 ( 1.105 -4.769 -4.166) 6.429 5.049 ( -8.404 -4.019 -0.677) 9.340 5.544 ( -0.998 -3.862 5.017) 6.410 5.808 ( 3.222 -4.127 0.090) 5.237 5.963 ( -0.239 -5.111 -5.312) 7.375 6.319 ( -6.106 3.671 -4.525) 8.440 6.729 ( -4.184 6.050 -2.398) 7.737 6.924 ( 8.709 0.935 -1.405) 8.871 9.345 ( 4.027 6.200 6.094) 9.581 9.869 ( 10.600 6.135 -6.023) 13.649 10.343 ( -16.797 -15.359 3.705) 23.060 15.307 ( -1.082 -0.476 -3.090) 3.308 15.521 ( 3.581 1.879 5.295) 6.663 16.107 ( 0.551 5.219 3.802) 6.480 16.330 ( 6.493 3.089 -0.959) 7.255 16.467 ( -1.134 -1.265 -0.706) 1.840 17.010 ( -7.142 -7.172 -3.538) 10.722 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.235 -0.445 12.711) 12.721 1.672 ( -2.231 5.298 4.939) 7.579 2.159 ( 0.076 -3.561 4.477) 5.721 2.861 ( -0.833 1.005 -1.308) 1.848 2.882 ( 0.127 1.919 -1.576) 2.487 3.885 ( 2.641 -6.463 -3.428) 7.778 4.257 ( 2.453 1.823 5.694) 6.463 4.452 ( -4.462 3.643 1.226) 5.889 5.433 ( 3.734 -7.293 1.700) 8.368 5.833 ( 0.179 -5.631 0.330) 5.644 5.929 ( 15.047 -2.338 3.805) 15.695 6.110 ( -6.797 -12.708 -6.877) 15.968 6.324 ( -3.157 1.506 1.812) 3.939 6.590 ( 3.854 5.109 -2.057) 6.723 6.703 ( -6.231 3.893 -2.986) 7.931 9.099 ( 3.196 5.953 2.522) 7.212 9.435 ( -11.921 11.074 -6.532) 17.533 11.116 ( 9.466 -15.048 0.613) 17.788 15.283 ( -2.127 -2.272 4.563) 5.523 15.431 ( 1.279 5.271 -1.433) 5.610 16.001 ( 0.971 4.279 0.734) 4.449 16.076 ( -5.275 3.062 -2.124) 6.459 16.532 ( 0.768 -1.924 0.747) 2.202 17.337 ( 3.524 -6.967 -0.369) 7.816 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 1.634 0.910 9.469) 9.652 1.713 ( -2.045 4.898 3.143) 6.168 2.124 ( -0.598 -7.035 2.845) 7.612 2.863 ( 0.659 1.562 -1.190) 2.071 2.900 ( -0.014 3.037 -1.281) 3.296 3.820 ( -0.699 -6.615 -1.313) 6.780 4.334 ( 2.189 1.178 0.076) 2.487 4.460 ( -0.715 4.450 2.923) 5.372 5.387 ( 0.253 -11.020 1.030) 11.071 5.744 ( -3.158 -6.929 2.850) 8.131 5.869 ( -4.946 -10.709 -2.689) 12.098 6.171 ( 3.317 -1.543 4.981) 6.180 6.268 ( 7.283 -1.520 -4.034) 8.463 6.615 ( -5.419 1.201 -1.257) 5.692 6.718 ( 2.624 9.011 -1.334) 9.480 9.253 ( 5.333 7.177 -4.995) 10.242 9.368 ( -5.511 13.529 1.669) 14.704 11.031 ( -0.212 -19.084 0.002) 19.085 15.270 ( -0.144 -2.101 4.714) 5.163 15.482 ( 0.011 5.625 -3.539) 6.646 16.034 ( -1.821 3.297 -1.235) 3.964 16.077 ( 1.586 6.085 0.819) 6.342 16.522 ( 0.029 -2.417 0.726) 2.524 17.294 ( 0.263 -8.725 -0.027) 8.729 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 2.622 0.839 5.451) 6.107 1.726 ( -2.631 3.273 1.654) 4.514 2.058 ( -0.448 -7.227 1.424) 7.380 2.892 ( 1.147 1.705 -0.765) 2.193 2.917 ( 0.126 2.693 -1.277) 2.983 3.734 ( -2.835 -4.944 0.551) 5.726 4.366 ( 2.411 1.161 -3.576) 4.466 4.499 ( -0.842 1.160 2.021) 2.478 5.261 ( -2.948 -11.658 1.236) 12.089 5.653 ( -4.305 -5.066 6.248) 9.123 5.728 ( -0.619 -8.420 -0.042) 8.443 6.074 ( -6.236 -0.940 -2.572) 6.811 6.463 ( 6.545 0.891 -2.773) 7.164 6.558 ( 4.001 -1.527 -0.145) 4.285 6.812 ( -0.423 8.081 -0.518) 8.108 9.295 ( -0.091 8.008 -6.280) 10.177 9.559 ( 6.370 12.166 5.238) 14.698 10.773 ( -7.818 -20.610 -0.280) 22.044 15.293 ( 1.313 -1.599 4.833) 5.257 15.491 ( -1.172 4.651 -5.015) 6.940 16.071 ( 2.020 4.483 0.547) 4.948 16.169 ( 2.007 6.198 0.318) 6.522 16.499 ( -0.591 -2.193 0.477) 2.321 17.184 ( -2.932 -9.661 -0.351) 10.102 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -0.386 1.385 -7.189) 7.331 1.743 ( -1.126 -0.668 11.265) 11.340 2.002 ( 0.429 -4.279 -2.367) 4.909 2.895 ( -1.791 1.821 -0.573) 2.617 2.962 ( 3.223 1.429 -0.464) 3.556 3.649 ( -3.374 -3.862 2.067) 5.529 4.394 ( 3.012 0.565 -5.563) 6.351 4.467 ( -3.535 -2.028 1.709) 4.420 5.106 ( -4.791 -8.960 0.901) 10.200 5.587 ( -3.706 -3.921 7.311) 9.086 5.685 ( 2.738 -5.797 1.545) 6.595 5.973 ( -4.016 2.086 -4.558) 6.423 6.416 ( -5.358 1.623 -2.631) 6.186 6.716 ( 11.588 -1.890 -2.737) 12.056 6.852 ( -1.895 5.953 -0.053) 6.248 9.360 ( 3.124 6.571 -3.682) 8.154 9.795 ( 5.958 9.594 4.241) 12.064 10.427 ( -11.161 -18.826 0.876) 21.903 15.316 ( -0.710 0.132 0.851) 1.116 15.503 ( 2.049 1.866 -0.467) 2.810 16.174 ( 2.935 6.306 2.008) 7.240 16.258 ( 3.250 4.484 -0.995) 5.626 16.470 ( -1.010 -1.475 0.006) 1.788 17.020 ( -5.508 -9.688 -1.201) 11.209 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -1.092 0.148 11.945) 11.995 1.759 ( -0.694 4.317 0.696) 4.428 2.114 ( 1.098 -4.978 -3.441) 6.151 2.888 ( -1.024 1.330 -0.257) 1.698 2.895 ( -0.510 1.653 0.998) 1.998 3.762 ( 3.500 -4.679 -2.377) 6.308 4.279 ( 1.543 1.613 6.132) 6.525 4.531 ( -3.344 -0.163 -1.589) 3.706 5.276 ( 7.886 -7.783 -0.215) 11.082 5.693 ( 10.877 -1.111 2.200) 11.153 5.777 ( -0.439 -4.745 -5.218) 7.067 6.077 ( -6.071 -10.268 -3.823) 12.526 6.399 ( 0.637 4.070 4.137) 5.838 6.563 ( 2.991 2.641 -0.768) 4.063 6.825 ( -6.671 2.888 -1.802) 7.490 9.173 ( -1.923 5.966 6.516) 9.041 9.686 ( -11.532 10.076 -7.758) 17.167 10.764 ( 15.530 -16.182 0.447) 22.433 15.334 ( -3.236 -2.145 2.550) 4.645 15.436 ( 1.844 4.653 -1.168) 5.140 16.050 ( -0.216 5.323 2.182) 5.757 16.193 ( -6.616 3.493 -1.787) 7.692 16.502 ( 1.050 -1.733 0.147) 2.032 17.187 ( 5.868 -7.983 -0.654) 9.929 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -0.370 0.532 8.734) 8.759 1.777 ( -0.738 3.664 -4.548) 5.887 2.069 ( 1.001 -6.669 1.912) 7.009 2.869 ( -0.817 0.433 -0.271) 0.964 2.928 ( -0.121 3.694 -0.324) 3.710 3.742 ( 2.095 -5.325 -1.714) 5.974 4.338 ( -0.760 1.358 2.054) 2.577 4.504 ( 0.631 0.795 1.126) 1.516 5.258 ( 2.030 -11.732 -0.199) 11.908 5.694 ( 0.170 -5.570 -5.247) 7.654 5.855 ( 2.016 -4.809 -3.243) 6.141 5.954 ( 8.616 -3.671 6.204) 11.234 6.333 ( -7.420 -3.029 3.598) 8.785 6.700 ( -1.712 2.369 2.264) 3.697 6.757 ( 0.285 8.085 -2.061) 8.348 9.254 ( 0.629 7.256 0.051) 7.283 9.602 ( -7.151 12.777 -1.721) 14.743 10.777 ( 7.552 -20.542 -1.135) 21.915 15.294 ( -1.657 -1.899 3.969) 4.701 15.494 ( 1.455 5.160 -4.475) 6.984 16.084 ( -3.027 3.900 -2.820) 5.686 16.160 ( -1.325 6.901 2.728) 7.538 16.498 ( 0.589 -2.265 0.520) 2.398 17.179 ( 3.259 -9.857 0.665) 10.403 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 0.486 0.106 1.973) 2.034 1.762 ( 0.526 2.437 -6.119) 6.607 2.039 ( -1.561 -6.056 7.931) 10.100 2.872 ( 1.256 0.387 -0.904) 1.596 2.949 ( -0.962 3.697 -1.479) 4.097 3.715 ( 0.620 -4.440 -0.350) 4.497 4.318 ( -0.465 -0.488 -3.058) 3.131 4.544 ( 0.094 1.248 2.813) 3.079 5.155 ( 0.525 -13.772 0.824) 13.807 5.625 ( 0.275 -4.501 -3.059) 5.449 5.772 ( -4.631 -1.797 4.307) 6.575 6.176 ( 3.385 -3.261 4.389) 6.431 6.208 ( 4.907 -2.237 -0.456) 5.413 6.615 ( -6.089 -0.252 0.144) 6.096 6.881 ( 1.343 8.084 0.719) 8.226 9.301 ( 0.495 7.286 -8.598) 11.280 9.694 ( -0.321 13.928 8.152) 16.142 10.621 ( 0.113 -22.658 -2.612) 22.808 15.295 ( 0.400 -1.673 5.332) 5.603 15.515 ( -0.554 5.173 -7.336) 8.993 16.066 ( 0.276 3.039 -2.792) 4.136 16.246 ( -0.192 8.265 2.718) 8.703 16.486 ( 0.073 -2.110 0.718) 2.230 17.115 ( -0.036 -10.704 1.348) 10.788 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.602 1.841 -7.141) 7.399 1.786 ( 1.572 0.931 1.225) 2.200 1.989 ( -3.453 -6.064 8.314) 10.854 2.904 ( 2.819 0.339 -1.235) 3.097 2.950 ( -1.556 3.277 -1.873) 4.083 3.666 ( -1.605 -4.220 -0.152) 4.517 4.296 ( 2.004 -1.624 -5.366) 5.954 4.547 ( -3.195 1.192 3.564) 4.933 5.036 ( -0.175 -13.766 1.200) 13.819 5.588 ( 0.433 -2.589 0.481) 2.669 5.735 ( -4.111 1.638 6.469) 7.838 6.063 ( -7.124 0.013 2.080) 7.421 6.416 ( 12.520 -1.933 -3.555) 13.158 6.529 ( -2.098 -1.930 1.289) 3.128 6.943 ( -1.922 5.693 0.263) 6.014 9.333 ( 2.175 6.751 -9.365) 11.748 9.890 ( 1.446 12.050 9.888) 15.654 10.358 ( -4.225 -21.428 -2.255) 21.957 15.330 ( 0.936 -0.970 5.353) 5.520 15.497 ( -0.809 3.813 -6.919) 7.941 16.123 ( 4.974 3.078 -2.726) 6.454 16.324 ( -0.860 7.219 1.291) 7.383 16.471 ( -0.443 -1.382 0.519) 1.542 16.999 ( -3.286 -10.124 1.951) 10.821 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.000 0.000 8.103) 8.103 1.517 ( -0.000 0.000 8.103) 8.103 2.226 ( -0.000 0.000 10.570) 10.570 2.841 ( 0.000 -0.000 -2.753) 2.753 2.841 ( 0.000 -0.000 -2.753) 2.753 4.067 ( 0.000 -0.000 -3.555) 3.555 4.267 ( -0.000 0.000 4.126) 4.126 4.267 ( -0.000 0.000 4.126) 4.126 5.575 ( -0.000 0.000 2.571) 2.571 6.041 ( -0.000 0.000 6.688) 6.688 6.041 ( -0.000 0.000 6.688) 6.688 6.309 ( 0.000 -0.000 -3.018) 3.018 6.352 ( 0.000 -0.000 -8.034) 8.034 6.352 ( 0.000 -0.000 -8.034) 8.034 6.607 ( 0.000 -0.000 -1.199) 1.199 9.086 ( 0.000 -0.000 -2.209) 2.209 9.086 ( 0.000 -0.000 -2.209) 2.209 11.430 ( -0.000 0.000 0.409) 0.409 15.331 ( -0.000 0.000 2.473) 2.473 15.331 ( -0.000 0.000 2.473) 2.473 15.965 ( 0.000 -0.000 -1.412) 1.412 15.965 ( 0.000 -0.000 -1.412) 1.412 16.570 ( -0.000 0.000 0.970) 0.970 17.470 ( 0.000 -0.000 -0.817) 0.817 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.314 1.469 8.901) 9.027 1.607 ( 3.730 0.387 2.818) 4.691 2.242 ( -2.864 -1.954 5.485) 6.489 2.840 ( 1.146 1.112 -1.043) 1.907 2.844 ( 1.193 0.538 -2.048) 2.430 3.963 ( -5.742 -3.918 -2.350) 7.338 4.278 ( -0.853 1.066 3.965) 4.193 4.382 ( 6.349 2.971 1.204) 7.113 5.539 ( -4.654 -2.579 1.711) 5.589 5.936 ( -6.689 -9.160 6.448) 13.047 5.999 ( -8.924 -2.707 -2.351) 9.617 6.248 ( 2.601 -4.337 0.875) 5.132 6.317 ( -5.599 9.693 -4.987) 12.254 6.456 ( 9.191 1.196 -4.109) 10.138 6.633 ( 3.159 1.621 -1.096) 3.716 9.059 ( 0.119 1.333 2.235) 2.605 9.223 ( 11.443 5.232 -5.060) 13.562 11.321 ( -10.142 -5.923 0.534) 11.757 15.335 ( 0.748 -0.163 3.786) 3.863 15.365 ( 0.385 0.792 -0.737) 1.148 15.955 ( 0.954 -0.129 0.576) 1.122 16.014 ( 3.961 2.874 -2.155) 5.347 16.561 ( -1.213 -0.693 0.574) 1.510 17.422 ( -3.990 -2.220 -0.527) 4.597 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -0.108 2.189 6.533) 6.891 1.681 ( 4.305 -0.211 1.195) 4.473 2.171 ( -4.461 -2.552 -1.465) 5.345 2.858 ( 1.048 0.321 -0.721) 1.312 2.882 ( 2.157 1.817 0.714) 2.909 3.821 ( -5.400 -3.752 -1.432) 6.729 4.301 ( -0.380 0.838 3.602) 3.718 4.499 ( 4.299 2.497 -1.190) 5.112 5.395 ( -9.046 -5.909 0.167) 10.806 5.741 ( -7.303 -8.578 3.712) 11.861 5.860 ( -6.702 1.133 -2.276) 7.168 6.238 ( 2.686 -7.292 0.183) 7.773 6.260 ( -4.592 3.130 -5.227) 7.630 6.584 ( 0.956 6.343 1.222) 6.530 6.729 ( 8.139 2.043 -2.048) 8.638 9.139 ( 3.855 3.003 6.392) 8.046 9.458 ( 13.954 7.065 -6.972) 17.124 11.021 ( -17.358 -10.154 1.011) 20.135 15.347 ( -0.297 -1.232 -3.584) 3.802 15.399 ( 2.296 2.389 5.208) 6.172 15.997 ( 2.440 0.797 2.294) 3.442 16.115 ( 6.093 3.935 -2.564) 7.693 16.529 ( -1.831 -1.060 -0.021) 2.115 17.298 ( -7.174 -3.985 -0.615) 8.229 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.854 0.507 5.436) 5.526 1.631 ( -0.904 4.057 0.382) 4.175 2.262 ( -0.151 -4.999 3.087) 5.877 2.829 ( 0.196 1.296 -0.574) 1.431 2.842 ( -0.046 2.225 -1.184) 2.521 3.949 ( -0.230 -7.293 -0.853) 7.346 4.313 ( 0.939 0.918 0.159) 1.323 4.373 ( -0.595 6.033 2.130) 6.426 5.547 ( 0.082 -5.433 0.878) 5.504 5.934 ( -0.336 -10.707 4.222) 11.514 6.049 ( -3.653 -9.983 -5.657) 12.042 6.222 ( 0.819 -0.274 6.537) 6.594 6.266 ( 5.348 -0.481 -2.728) 6.023 6.467 ( -2.596 11.013 -4.732) 12.264 6.622 ( 0.344 2.156 0.279) 2.201 9.117 ( 2.586 4.225 -3.449) 6.036 9.154 ( -2.635 9.493 1.774) 10.011 11.324 ( -0.026 -11.425 0.142) 11.426 15.329 ( -0.133 -1.520 3.095) 3.451 15.386 ( 0.121 2.893 -1.708) 3.362 15.975 ( -1.380 2.169 -0.707) 2.666 15.987 ( 1.341 3.600 -0.062) 3.842 16.563 ( 0.003 -1.531 0.353) 1.572 17.419 ( 0.035 -4.674 -0.196) 4.678 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.772 1.390 -3.792) 4.112 1.677 ( 1.971 3.497 4.160) 5.781 2.191 ( -3.197 -5.808 0.404) 6.642 2.853 ( 0.593 1.842 -0.522) 2.004 2.869 ( 1.585 2.027 -0.023) 2.573 3.847 ( -3.678 -6.259 0.685) 7.292 4.324 ( 0.646 1.162 -1.682) 2.144 4.459 ( 2.399 3.997 0.434) 4.682 5.448 ( -4.879 -7.862 0.042) 9.253 5.803 ( -6.346 -7.231 4.126) 10.468 5.926 ( 0.552 -10.213 1.971) 10.416 6.092 ( -6.152 -4.230 -3.515) 8.252 6.388 ( -1.741 5.156 -4.714) 7.200 6.552 ( 9.123 3.006 1.827) 9.777 6.674 ( 0.270 5.463 0.259) 5.476 9.150 ( 2.365 4.389 -2.107) 5.413 9.345 ( 7.305 12.417 2.324) 14.593 11.121 ( -9.014 -15.600 0.138) 18.017 15.335 ( -0.590 -0.653 0.546) 1.036 15.406 ( 1.614 2.369 -0.490) 2.908 16.004 ( 1.580 2.988 1.325) 3.630 16.060 ( 3.000 4.993 -1.129) 5.934 16.539 ( -1.071 -1.846 -0.011) 2.134 17.335 ( -3.752 -6.504 -0.183) 7.511 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -0.000 0.000 0.000) 0.000 1.591 ( -0.000 0.000 0.000) 0.000 2.322 ( -0.000 0.000 0.000) 0.000 2.815 ( -0.000 0.000 0.000) 0.000 2.815 ( -0.000 0.000 0.000) 0.000 4.034 ( -0.000 0.000 0.000) 0.000 4.305 ( -0.000 0.000 0.000) 0.000 4.305 ( -0.000 0.000 0.000) 0.000 5.600 ( -0.000 0.000 0.000) 0.000 6.129 ( 0.000 -0.000 -0.000) 0.000 6.129 ( 0.000 -0.000 -0.000) 0.000 6.250 ( -0.000 0.000 0.000) 0.000 6.250 ( -0.000 0.000 0.000) 0.000 6.277 ( -0.000 0.000 0.000) 0.000 6.599 ( -0.000 0.000 0.000) 0.000 9.066 ( -0.000 0.000 0.000) 0.000 9.066 ( -0.000 0.000 0.000) 0.000 11.434 ( -0.000 0.000 0.000) 0.000 15.354 ( -0.000 0.000 0.000) 0.000 15.354 ( -0.000 0.000 0.000) 0.000 15.952 ( -0.000 0.000 0.000) 0.000 15.952 ( -0.000 0.000 0.000) 0.000 16.579 ( -0.000 0.000 0.000) 0.000 17.462 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/41472 10.0 177.998 177.998 264.026 0.000 -0.000 -0.000 3/41472 20.0 69.214 69.214 90.296 0.000 -0.000 -0.000 3/41472 30.0 33.903 33.903 44.137 0.000 -0.000 -0.000 3/41472 40.0 20.366 20.366 26.663 0.000 -0.000 -0.000 3/41472 50.0 14.006 14.006 18.327 0.000 -0.000 -0.000 3/41472 60.0 10.474 10.474 13.635 0.000 -0.000 -0.000 3/41472 70.0 8.263 8.263 10.676 0.000 -0.000 -0.000 3/41472 80.0 6.763 6.763 8.667 0.000 -0.000 -0.000 3/41472 90.0 5.690 5.690 7.234 0.000 -0.000 -0.000 3/41472 100.0 4.893 4.893 6.174 0.000 -0.000 -0.000 3/41472 110.0 4.284 4.284 5.369 0.000 -0.000 -0.000 3/41472 120.0 3.805 3.805 4.741 0.000 -0.000 -0.000 3/41472 130.0 3.422 3.422 4.241 0.000 -0.000 -0.000 3/41472 140.0 3.110 3.110 3.837 0.000 -0.000 -0.000 3/41472 150.0 2.851 2.851 3.503 0.000 -0.000 -0.000 3/41472 160.0 2.633 2.633 3.224 0.000 -0.000 -0.000 3/41472 170.0 2.447 2.447 2.988 0.000 -0.000 -0.000 3/41472 180.0 2.287 2.287 2.785 0.000 -0.000 -0.000 3/41472 190.0 2.147 2.147 2.609 0.000 -0.000 -0.000 3/41472 200.0 2.025 2.025 2.456 0.000 -0.000 -0.000 3/41472 210.0 1.916 1.916 2.320 0.000 -0.000 -0.000 3/41472 220.0 1.819 1.819 2.199 0.000 -0.000 -0.000 3/41472 230.0 1.732 1.732 2.091 0.000 -0.000 -0.000 3/41472 240.0 1.654 1.654 1.994 0.000 -0.000 -0.000 3/41472 250.0 1.582 1.582 1.906 0.000 -0.000 -0.000 3/41472 260.0 1.517 1.517 1.825 0.000 -0.000 -0.000 3/41472 270.0 1.457 1.457 1.752 0.000 -0.000 -0.000 3/41472 280.0 1.402 1.402 1.684 0.000 -0.000 -0.000 3/41472 290.0 1.352 1.352 1.622 0.000 -0.000 -0.000 3/41472 300.0 1.304 1.304 1.564 0.000 -0.000 -0.000 3/41472 310.0 1.261 1.261 1.511 0.000 -0.000 -0.000 3/41472 320.0 1.220 1.220 1.461 0.000 -0.000 -0.000 3/41472 330.0 1.181 1.181 1.414 0.000 -0.000 -0.000 3/41472 340.0 1.146 1.146 1.371 0.000 -0.000 -0.000 3/41472 350.0 1.112 1.112 1.330 0.000 -0.000 -0.000 3/41472 360.0 1.080 1.080 1.292 0.000 -0.000 -0.000 3/41472 370.0 1.050 1.050 1.255 0.000 -0.000 -0.000 3/41472 380.0 1.022 1.022 1.221 0.000 -0.000 -0.000 3/41472 390.0 0.995 0.995 1.189 0.000 -0.000 -0.000 3/41472 400.0 0.970 0.970 1.158 0.000 -0.000 -0.000 3/41472 410.0 0.946 0.946 1.129 0.000 -0.000 -0.000 3/41472 420.0 0.923 0.923 1.102 0.000 -0.000 -0.000 3/41472 430.0 0.901 0.901 1.075 0.000 -0.000 -0.000 3/41472 440.0 0.881 0.881 1.050 0.000 -0.000 -0.000 3/41472 450.0 0.861 0.861 1.027 0.000 -0.000 -0.000 3/41472 460.0 0.842 0.842 1.004 0.000 -0.000 -0.000 3/41472 470.0 0.824 0.824 0.982 0.000 -0.000 -0.000 3/41472 480.0 0.807 0.807 0.961 0.000 -0.000 -0.000 3/41472 490.0 0.790 0.790 0.941 0.000 -0.000 -0.000 3/41472 500.0 0.774 0.774 0.922 0.000 -0.000 -0.000 3/41472 510.0 0.759 0.759 0.904 0.000 -0.000 -0.000 3/41472 520.0 0.744 0.744 0.886 0.000 -0.000 -0.000 3/41472 530.0 0.730 0.730 0.869 0.000 -0.000 -0.000 3/41472 540.0 0.716 0.716 0.853 0.000 -0.000 -0.000 3/41472 550.0 0.703 0.703 0.837 0.000 -0.000 -0.000 3/41472 560.0 0.691 0.691 0.822 0.000 -0.000 -0.000 3/41472 570.0 0.678 0.678 0.808 0.000 -0.000 -0.000 3/41472 580.0 0.667 0.667 0.793 0.000 -0.000 -0.000 3/41472 590.0 0.655 0.655 0.780 0.000 -0.000 -0.000 3/41472 600.0 0.644 0.644 0.767 0.000 -0.000 -0.000 3/41472 610.0 0.634 0.634 0.754 0.000 -0.000 -0.000 3/41472 620.0 0.623 0.623 0.742 0.000 -0.000 -0.000 3/41472 630.0 0.614 0.614 0.730 0.000 -0.000 -0.000 3/41472 640.0 0.604 0.604 0.718 0.000 -0.000 -0.000 3/41472 650.0 0.595 0.595 0.707 0.000 -0.000 -0.000 3/41472 660.0 0.586 0.586 0.696 0.000 -0.000 -0.000 3/41472 670.0 0.577 0.577 0.686 0.000 -0.000 -0.000 3/41472 680.0 0.568 0.568 0.676 0.000 -0.000 -0.000 3/41472 690.0 0.560 0.560 0.666 0.000 -0.000 -0.000 3/41472 700.0 0.552 0.552 0.656 0.000 -0.000 -0.000 3/41472 710.0 0.544 0.544 0.647 0.000 -0.000 -0.000 3/41472 720.0 0.537 0.537 0.638 0.000 -0.000 -0.000 3/41472 730.0 0.529 0.529 0.629 0.000 -0.000 -0.000 3/41472 740.0 0.522 0.522 0.621 0.000 -0.000 -0.000 3/41472 750.0 0.515 0.515 0.612 0.000 -0.000 -0.000 3/41472 760.0 0.508 0.508 0.604 0.000 -0.000 -0.000 3/41472 770.0 0.502 0.502 0.596 0.000 -0.000 -0.000 3/41472 780.0 0.495 0.495 0.589 0.000 -0.000 -0.000 3/41472 790.0 0.489 0.489 0.581 0.000 -0.000 -0.000 3/41472 800.0 0.483 0.483 0.574 0.000 -0.000 -0.000 3/41472 810.0 0.477 0.477 0.567 0.000 -0.000 -0.000 3/41472 820.0 0.471 0.471 0.560 0.000 -0.000 -0.000 3/41472 830.0 0.465 0.465 0.553 0.000 -0.000 -0.000 3/41472 840.0 0.460 0.460 0.546 0.000 -0.000 -0.000 3/41472 850.0 0.454 0.454 0.540 0.000 -0.000 -0.000 3/41472 860.0 0.449 0.449 0.534 0.000 -0.000 -0.000 3/41472 870.0 0.444 0.444 0.528 0.000 -0.000 -0.000 3/41472 880.0 0.439 0.439 0.522 0.000 -0.000 -0.000 3/41472 890.0 0.434 0.434 0.516 0.000 -0.000 -0.000 3/41472 900.0 0.429 0.429 0.510 0.000 -0.000 -0.000 3/41472 910.0 0.424 0.424 0.504 0.000 -0.000 -0.000 3/41472 920.0 0.420 0.420 0.499 0.000 -0.000 -0.000 3/41472 930.0 0.415 0.415 0.493 0.000 -0.000 -0.000 3/41472 940.0 0.411 0.411 0.488 0.000 -0.000 -0.000 3/41472 950.0 0.407 0.407 0.483 0.000 -0.000 -0.000 3/41472 960.0 0.402 0.402 0.478 0.000 -0.000 -0.000 3/41472 970.0 0.398 0.398 0.473 0.000 -0.000 -0.000 3/41472 980.0 0.394 0.394 0.468 0.000 -0.000 -0.000 3/41472 990.0 0.390 0.390 0.463 0.000 -0.000 -0.000 3/41472 1000.0 0.386 0.386 0.459 0.000 -0.000 -0.000 3/41472 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:21:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|