----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:57:04]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.740543730507176 0.000000000000000 0.000000000000000 b -2.870271865253588 4.971456702154705 0.000000000000000 c 0.000000000000000 0.000000000000000 4.651030329999999 Atomic positions (fractional): *1 F 0.31369733746264 0.15684866873132 0.77485125251808 18.998 2 F 0.84315133126868 0.15684866873132 0.77485125251808 18.998 3 F 0.84315133126868 0.68630266253736 0.77485125251808 18.998 4 F 0.15684866873132 0.31369733746264 0.22514874748192 18.998 5 F 0.68630266253736 0.84315133126868 0.22514874748192 18.998 6 F 0.15684866873132 0.84315133126868 0.22514874748192 18.998 *7 K 0.33333333333333 0.66666666666667 0.70052561457336 39.098 8 K 0.66666666666667 0.33333333333333 0.29947438542664 39.098 *9 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.740543730507176 0.000000000000000 0.000000000000000 b -2.870271865253588 4.971456702154705 0.000000000000000 c 0.000000000000000 0.000000000000000 4.651030329999999 Atomic positions (fractional): *1 F 0.31369733746264 0.15684866873132 0.77485125251808 18.998 > 1 2 F 0.84315133126868 0.15684866873132 0.77485125251808 18.998 > 2 3 F 0.84315133126868 0.68630266253736 0.77485125251808 18.998 > 3 4 F 0.15684866873132 0.31369733746264 0.22514874748192 18.998 > 4 5 F 0.68630266253736 0.84315133126868 0.22514874748192 18.998 > 5 6 F 0.15684866873132 0.84315133126868 0.22514874748192 18.998 > 6 *7 K 0.33333333333333 0.66666666666667 0.70052561457336 39.098 > 7 8 K 0.66666666666667 0.33333333333333 0.29947438542664 39.098 > 8 *9 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.481087461014353 0.000000000000000 0.000000000000000 b -5.740543730507176 9.942913404309410 0.000000000000000 c 0.000000000000000 0.000000000000000 13.953090989999998 Atomic positions (fractional): *1 F 0.15684866873132 0.07842433436566 0.25828375083936 18.998 > 1 2 F 0.65684866873132 0.07842433436566 0.25828375083936 18.998 > 1 3 F 0.15684866873132 0.57842433436566 0.25828375083936 18.998 > 1 4 F 0.65684866873132 0.57842433436566 0.25828375083936 18.998 > 1 5 F 0.15684866873132 0.07842433436566 0.59161708417269 18.998 > 1 6 F 0.65684866873132 0.07842433436566 0.59161708417269 18.998 > 1 7 F 0.15684866873132 0.57842433436566 0.59161708417269 18.998 > 1 8 F 0.65684866873132 0.57842433436566 0.59161708417269 18.998 > 1 9 F 0.15684866873132 0.07842433436566 0.92495041750603 18.998 > 1 10 F 0.65684866873132 0.07842433436566 0.92495041750603 18.998 > 1 11 F 0.15684866873132 0.57842433436566 0.92495041750603 18.998 > 1 12 F 0.65684866873132 0.57842433436566 0.92495041750603 18.998 > 1 13 F 0.42157566563434 0.07842433436566 0.25828375083936 18.998 > 2 14 F 0.92157566563434 0.07842433436566 0.25828375083936 18.998 > 2 15 F 0.42157566563434 0.57842433436566 0.25828375083936 18.998 > 2 16 F 0.92157566563434 0.57842433436566 0.25828375083936 18.998 > 2 17 F 0.42157566563434 0.07842433436566 0.59161708417269 18.998 > 2 18 F 0.92157566563434 0.07842433436566 0.59161708417269 18.998 > 2 19 F 0.42157566563434 0.57842433436566 0.59161708417269 18.998 > 2 20 F 0.92157566563434 0.57842433436566 0.59161708417269 18.998 > 2 21 F 0.42157566563434 0.07842433436566 0.92495041750603 18.998 > 2 22 F 0.92157566563434 0.07842433436566 0.92495041750603 18.998 > 2 23 F 0.42157566563434 0.57842433436566 0.92495041750603 18.998 > 2 24 F 0.92157566563434 0.57842433436566 0.92495041750603 18.998 > 2 25 F 0.42157566563434 0.34315133126868 0.25828375083936 18.998 > 3 26 F 0.92157566563434 0.34315133126868 0.25828375083936 18.998 > 3 27 F 0.42157566563434 0.84315133126868 0.25828375083936 18.998 > 3 28 F 0.92157566563434 0.84315133126868 0.25828375083936 18.998 > 3 29 F 0.42157566563434 0.34315133126868 0.59161708417269 18.998 > 3 30 F 0.92157566563434 0.34315133126868 0.59161708417269 18.998 > 3 31 F 0.42157566563434 0.84315133126868 0.59161708417269 18.998 > 3 32 F 0.92157566563434 0.84315133126868 0.59161708417269 18.998 > 3 33 F 0.42157566563434 0.34315133126868 0.92495041750603 18.998 > 3 34 F 0.92157566563434 0.34315133126868 0.92495041750603 18.998 > 3 35 F 0.42157566563434 0.84315133126868 0.92495041750603 18.998 > 3 36 F 0.92157566563434 0.84315133126868 0.92495041750603 18.998 > 3 37 F 0.07842433436566 0.15684866873132 0.07504958249397 18.998 > 4 38 F 0.57842433436566 0.15684866873132 0.07504958249397 18.998 > 4 39 F 0.07842433436566 0.65684866873132 0.07504958249397 18.998 > 4 40 F 0.57842433436566 0.65684866873132 0.07504958249397 18.998 > 4 41 F 0.07842433436566 0.15684866873132 0.40838291582731 18.998 > 4 42 F 0.57842433436566 0.15684866873132 0.40838291582731 18.998 > 4 43 F 0.07842433436566 0.65684866873132 0.40838291582731 18.998 > 4 44 F 0.57842433436566 0.65684866873132 0.40838291582731 18.998 > 4 45 F 0.07842433436566 0.15684866873132 0.74171624916064 18.998 > 4 46 F 0.57842433436566 0.15684866873132 0.74171624916064 18.998 > 4 47 F 0.07842433436566 0.65684866873132 0.74171624916064 18.998 > 4 48 F 0.57842433436566 0.65684866873132 0.74171624916064 18.998 > 4 49 F 0.34315133126868 0.42157566563434 0.07504958249397 18.998 > 5 50 F 0.84315133126868 0.42157566563434 0.07504958249397 18.998 > 5 51 F 0.34315133126868 0.92157566563434 0.07504958249397 18.998 > 5 52 F 0.84315133126868 0.92157566563434 0.07504958249397 18.998 > 5 53 F 0.34315133126868 0.42157566563434 0.40838291582731 18.998 > 5 54 F 0.84315133126868 0.42157566563434 0.40838291582731 18.998 > 5 55 F 0.34315133126868 0.92157566563434 0.40838291582731 18.998 > 5 56 F 0.84315133126868 0.92157566563434 0.40838291582731 18.998 > 5 57 F 0.34315133126868 0.42157566563434 0.74171624916064 18.998 > 5 58 F 0.84315133126868 0.42157566563434 0.74171624916064 18.998 > 5 59 F 0.34315133126868 0.92157566563434 0.74171624916064 18.998 > 5 60 F 0.84315133126868 0.92157566563434 0.74171624916064 18.998 > 5 61 F 0.07842433436566 0.42157566563434 0.07504958249397 18.998 > 6 62 F 0.57842433436566 0.42157566563434 0.07504958249397 18.998 > 6 63 F 0.07842433436566 0.92157566563434 0.07504958249397 18.998 > 6 64 F 0.57842433436566 0.92157566563434 0.07504958249397 18.998 > 6 65 F 0.07842433436566 0.42157566563434 0.40838291582731 18.998 > 6 66 F 0.57842433436566 0.42157566563434 0.40838291582731 18.998 > 6 67 F 0.07842433436566 0.92157566563434 0.40838291582731 18.998 > 6 68 F 0.57842433436566 0.92157566563434 0.40838291582731 18.998 > 6 69 F 0.07842433436566 0.42157566563434 0.74171624916064 18.998 > 6 70 F 0.57842433436566 0.42157566563434 0.74171624916064 18.998 > 6 71 F 0.07842433436566 0.92157566563434 0.74171624916064 18.998 > 6 72 F 0.57842433436566 0.92157566563434 0.74171624916064 18.998 > 6 *73 K 0.16666666666667 0.33333333333333 0.23350853819112 39.098 > 7 74 K 0.66666666666667 0.33333333333333 0.23350853819112 39.098 > 7 75 K 0.16666666666667 0.83333333333333 0.23350853819112 39.098 > 7 76 K 0.66666666666667 0.83333333333333 0.23350853819112 39.098 > 7 77 K 0.16666666666667 0.33333333333333 0.56684187152445 39.098 > 7 78 K 0.66666666666667 0.33333333333333 0.56684187152445 39.098 > 7 79 K 0.16666666666667 0.83333333333333 0.56684187152445 39.098 > 7 80 K 0.66666666666667 0.83333333333333 0.56684187152445 39.098 > 7 81 K 0.16666666666667 0.33333333333333 0.90017520485779 39.098 > 7 82 K 0.66666666666667 0.33333333333333 0.90017520485779 39.098 > 7 83 K 0.16666666666667 0.83333333333333 0.90017520485779 39.098 > 7 84 K 0.66666666666667 0.83333333333333 0.90017520485779 39.098 > 7 85 K 0.33333333333333 0.16666666666667 0.09982479514221 39.098 > 8 86 K 0.83333333333333 0.16666666666667 0.09982479514221 39.098 > 8 87 K 0.33333333333333 0.66666666666667 0.09982479514221 39.098 > 8 88 K 0.83333333333333 0.66666666666667 0.09982479514221 39.098 > 8 89 K 0.33333333333333 0.16666666666667 0.43315812847555 39.098 > 8 90 K 0.83333333333333 0.16666666666667 0.43315812847555 39.098 > 8 91 K 0.33333333333333 0.66666666666667 0.43315812847555 39.098 > 8 92 K 0.83333333333333 0.66666666666667 0.43315812847555 39.098 > 8 93 K 0.33333333333333 0.16666666666667 0.76649146180888 39.098 > 8 94 K 0.83333333333333 0.16666666666667 0.76649146180888 39.098 > 8 95 K 0.33333333333333 0.66666666666667 0.76649146180888 39.098 > 8 96 K 0.83333333333333 0.66666666666667 0.76649146180888 39.098 > 8 *97 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 9 98 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 9 99 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 9 100 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 9 101 Ti 0.00000000000000 0.00000000000000 0.33333333333333 47.867 > 9 102 Ti 0.50000000000000 0.00000000000000 0.33333333333333 47.867 > 9 103 Ti 0.00000000000000 0.50000000000000 0.33333333333333 47.867 > 9 104 Ti 0.50000000000000 0.50000000000000 0.33333333333333 47.867 > 9 105 Ti 0.00000000000000 0.00000000000000 0.66666666666667 47.867 > 9 106 Ti 0.50000000000000 0.00000000000000 0.66666666666667 47.867 > 9 107 Ti 0.00000000000000 0.50000000000000 0.66666666666667 47.867 > 9 108 Ti 0.50000000000000 0.50000000000000 0.66666666666667 47.867 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3423416 0.0000000 0.0000000 0.0000000 2.3423416 0.0000000 0.0000000 0.0000000 2.2881248 -------------------------- Born effective charges -------------------------- 1 F -1.3214908 -0.3437363 0.4735851 -0.3437363 -0.9245782 0.2734245 0.4885959 0.2820910 -1.0762211 2 F -1.3214908 0.3437363 -0.4735851 0.3437363 -0.9245782 0.2734245 -0.4885959 0.2820910 -1.0762211 3 F -0.7261220 -0.0000000 -0.0000000 0.0000000 -1.5199471 -0.5468490 -0.0000000 -0.5641819 -1.0762211 4 F -0.7261220 -0.0000000 -0.0000000 0.0000000 -1.5199471 -0.5468490 -0.0000000 -0.5641819 -1.0762211 5 F -1.3214908 -0.3437363 0.4735851 -0.3437363 -0.9245782 0.2734245 0.4885959 0.2820910 -1.0762211 6 F -1.3214908 0.3437363 -0.4735851 0.3437363 -0.9245782 0.2734245 -0.4885959 0.2820910 -1.0762211 7 K 1.2844894 0.0000000 0.0000000 0.0000000 1.2844894 0.0000000 -0.0000000 0.0000000 1.2213134 8 K 1.2844894 0.0000000 0.0000000 0.0000000 1.2844894 0.0000000 -0.0000000 0.0000000 1.2213134 9 Ti 4.1692284 0.0000000 0.0000000 0.0000000 4.1692284 0.0000000 -0.0000000 0.0000000 4.0146999 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 267 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: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.030 Solver_block: 100 / 160 - Time: 0.444 Solver_block: 160 / 160 - Time: 0.236 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.720 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 267 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: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:57:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:57:14]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.740543730507176 0.000000000000000 0.000000000000000 b -2.870271865253588 4.971456702154705 0.000000000000000 c 0.000000000000000 0.000000000000000 4.651030329999999 Atomic positions (fractional): 1 F 0.31369733746264 0.15684866873132 0.77485125251808 18.998 2 F 0.84315133126868 0.15684866873132 0.77485125251808 18.998 3 F 0.84315133126868 0.68630266253736 0.77485125251808 18.998 4 F 0.15684866873132 0.31369733746264 0.22514874748192 18.998 5 F 0.68630266253736 0.84315133126868 0.22514874748192 18.998 6 F 0.15684866873132 0.84315133126868 0.22514874748192 18.998 7 K 0.33333333333333 0.66666666666667 0.70052561457336 39.098 8 K 0.66666666666667 0.33333333333333 0.29947438542664 39.098 9 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.481087461014353 0.000000000000000 0.000000000000000 b -5.740543730507176 9.942913404309410 0.000000000000000 c 0.000000000000000 0.000000000000000 13.953090989999998 Atomic positions (fractional): 1 F 0.15684866873132 0.07842433436566 0.25828375083936 18.998 > 1 2 F 0.65684866873132 0.07842433436566 0.25828375083936 18.998 > 1 3 F 0.15684866873132 0.57842433436566 0.25828375083936 18.998 > 1 4 F 0.65684866873132 0.57842433436566 0.25828375083936 18.998 > 1 5 F 0.15684866873132 0.07842433436566 0.59161708417269 18.998 > 1 6 F 0.65684866873132 0.07842433436566 0.59161708417269 18.998 > 1 7 F 0.15684866873132 0.57842433436566 0.59161708417269 18.998 > 1 8 F 0.65684866873132 0.57842433436566 0.59161708417269 18.998 > 1 9 F 0.15684866873132 0.07842433436566 0.92495041750603 18.998 > 1 10 F 0.65684866873132 0.07842433436566 0.92495041750603 18.998 > 1 11 F 0.15684866873132 0.57842433436566 0.92495041750603 18.998 > 1 12 F 0.65684866873132 0.57842433436566 0.92495041750603 18.998 > 1 13 F 0.42157566563434 0.07842433436566 0.25828375083936 18.998 > 13 14 F 0.92157566563434 0.07842433436566 0.25828375083936 18.998 > 13 15 F 0.42157566563434 0.57842433436566 0.25828375083936 18.998 > 13 16 F 0.92157566563434 0.57842433436566 0.25828375083936 18.998 > 13 17 F 0.42157566563434 0.07842433436566 0.59161708417269 18.998 > 13 18 F 0.92157566563434 0.07842433436566 0.59161708417269 18.998 > 13 19 F 0.42157566563434 0.57842433436566 0.59161708417269 18.998 > 13 20 F 0.92157566563434 0.57842433436566 0.59161708417269 18.998 > 13 21 F 0.42157566563434 0.07842433436566 0.92495041750603 18.998 > 13 22 F 0.92157566563434 0.07842433436566 0.92495041750603 18.998 > 13 23 F 0.42157566563434 0.57842433436566 0.92495041750603 18.998 > 13 24 F 0.92157566563434 0.57842433436566 0.92495041750603 18.998 > 13 25 F 0.42157566563434 0.34315133126868 0.25828375083936 18.998 > 25 26 F 0.92157566563434 0.34315133126868 0.25828375083936 18.998 > 25 27 F 0.42157566563434 0.84315133126868 0.25828375083936 18.998 > 25 28 F 0.92157566563434 0.84315133126868 0.25828375083936 18.998 > 25 29 F 0.42157566563434 0.34315133126868 0.59161708417269 18.998 > 25 30 F 0.92157566563434 0.34315133126868 0.59161708417269 18.998 > 25 31 F 0.42157566563434 0.84315133126868 0.59161708417269 18.998 > 25 32 F 0.92157566563434 0.84315133126868 0.59161708417269 18.998 > 25 33 F 0.42157566563434 0.34315133126868 0.92495041750603 18.998 > 25 34 F 0.92157566563434 0.34315133126868 0.92495041750603 18.998 > 25 35 F 0.42157566563434 0.84315133126868 0.92495041750603 18.998 > 25 36 F 0.92157566563434 0.84315133126868 0.92495041750603 18.998 > 25 37 F 0.07842433436566 0.15684866873132 0.07504958249397 18.998 > 37 38 F 0.57842433436566 0.15684866873132 0.07504958249397 18.998 > 37 39 F 0.07842433436566 0.65684866873132 0.07504958249397 18.998 > 37 40 F 0.57842433436566 0.65684866873132 0.07504958249397 18.998 > 37 41 F 0.07842433436566 0.15684866873132 0.40838291582731 18.998 > 37 42 F 0.57842433436566 0.15684866873132 0.40838291582731 18.998 > 37 43 F 0.07842433436566 0.65684866873132 0.40838291582731 18.998 > 37 44 F 0.57842433436566 0.65684866873132 0.40838291582731 18.998 > 37 45 F 0.07842433436566 0.15684866873132 0.74171624916064 18.998 > 37 46 F 0.57842433436566 0.15684866873132 0.74171624916064 18.998 > 37 47 F 0.07842433436566 0.65684866873132 0.74171624916064 18.998 > 37 48 F 0.57842433436566 0.65684866873132 0.74171624916064 18.998 > 37 49 F 0.34315133126868 0.42157566563434 0.07504958249397 18.998 > 49 50 F 0.84315133126868 0.42157566563434 0.07504958249397 18.998 > 49 51 F 0.34315133126868 0.92157566563434 0.07504958249397 18.998 > 49 52 F 0.84315133126868 0.92157566563434 0.07504958249397 18.998 > 49 53 F 0.34315133126868 0.42157566563434 0.40838291582731 18.998 > 49 54 F 0.84315133126868 0.42157566563434 0.40838291582731 18.998 > 49 55 F 0.34315133126868 0.92157566563434 0.40838291582731 18.998 > 49 56 F 0.84315133126868 0.92157566563434 0.40838291582731 18.998 > 49 57 F 0.34315133126868 0.42157566563434 0.74171624916064 18.998 > 49 58 F 0.84315133126868 0.42157566563434 0.74171624916064 18.998 > 49 59 F 0.34315133126868 0.92157566563434 0.74171624916064 18.998 > 49 60 F 0.84315133126868 0.92157566563434 0.74171624916064 18.998 > 49 61 F 0.07842433436566 0.42157566563434 0.07504958249397 18.998 > 61 62 F 0.57842433436566 0.42157566563434 0.07504958249397 18.998 > 61 63 F 0.07842433436566 0.92157566563434 0.07504958249397 18.998 > 61 64 F 0.57842433436566 0.92157566563434 0.07504958249397 18.998 > 61 65 F 0.07842433436566 0.42157566563434 0.40838291582731 18.998 > 61 66 F 0.57842433436566 0.42157566563434 0.40838291582731 18.998 > 61 67 F 0.07842433436566 0.92157566563434 0.40838291582731 18.998 > 61 68 F 0.57842433436566 0.92157566563434 0.40838291582731 18.998 > 61 69 F 0.07842433436566 0.42157566563434 0.74171624916064 18.998 > 61 70 F 0.57842433436566 0.42157566563434 0.74171624916064 18.998 > 61 71 F 0.07842433436566 0.92157566563434 0.74171624916064 18.998 > 61 72 F 0.57842433436566 0.92157566563434 0.74171624916064 18.998 > 61 73 K 0.16666666666667 0.33333333333333 0.23350853819112 39.098 > 73 74 K 0.66666666666667 0.33333333333333 0.23350853819112 39.098 > 73 75 K 0.16666666666667 0.83333333333333 0.23350853819112 39.098 > 73 76 K 0.66666666666667 0.83333333333333 0.23350853819112 39.098 > 73 77 K 0.16666666666667 0.33333333333333 0.56684187152445 39.098 > 73 78 K 0.66666666666667 0.33333333333333 0.56684187152445 39.098 > 73 79 K 0.16666666666667 0.83333333333333 0.56684187152445 39.098 > 73 80 K 0.66666666666667 0.83333333333333 0.56684187152445 39.098 > 73 81 K 0.16666666666667 0.33333333333333 0.90017520485779 39.098 > 73 82 K 0.66666666666667 0.33333333333333 0.90017520485779 39.098 > 73 83 K 0.16666666666667 0.83333333333333 0.90017520485779 39.098 > 73 84 K 0.66666666666667 0.83333333333333 0.90017520485779 39.098 > 73 85 K 0.33333333333333 0.16666666666667 0.09982479514221 39.098 > 85 86 K 0.83333333333333 0.16666666666667 0.09982479514221 39.098 > 85 87 K 0.33333333333333 0.66666666666667 0.09982479514221 39.098 > 85 88 K 0.83333333333333 0.66666666666667 0.09982479514221 39.098 > 85 89 K 0.33333333333333 0.16666666666667 0.43315812847555 39.098 > 85 90 K 0.83333333333333 0.16666666666667 0.43315812847555 39.098 > 85 91 K 0.33333333333333 0.66666666666667 0.43315812847555 39.098 > 85 92 K 0.83333333333333 0.66666666666667 0.43315812847555 39.098 > 85 93 K 0.33333333333333 0.16666666666667 0.76649146180888 39.098 > 85 94 K 0.83333333333333 0.16666666666667 0.76649146180888 39.098 > 85 95 K 0.33333333333333 0.66666666666667 0.76649146180888 39.098 > 85 96 K 0.83333333333333 0.66666666666667 0.76649146180888 39.098 > 85 97 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 97 98 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 97 99 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 97 100 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 97 101 Ti 0.00000000000000 0.00000000000000 0.33333333333333 47.867 > 97 102 Ti 0.50000000000000 0.00000000000000 0.33333333333333 47.867 > 97 103 Ti 0.00000000000000 0.50000000000000 0.33333333333333 47.867 > 97 104 Ti 0.50000000000000 0.50000000000000 0.33333333333333 47.867 > 97 105 Ti 0.00000000000000 0.00000000000000 0.66666666666667 47.867 > 97 106 Ti 0.50000000000000 0.00000000000000 0.66666666666667 47.867 > 97 107 Ti 0.00000000000000 0.50000000000000 0.66666666666667 47.867 > 97 108 Ti 0.50000000000000 0.50000000000000 0.66666666666667 47.867 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3423416 0.0000000 0.0000000 0.0000000 2.3423416 0.0000000 0.0000000 0.0000000 2.2881248 -------------------------- Born effective charges -------------------------- 1 F -1.3214908 -0.3437363 0.4735851 -0.3437363 -0.9245782 0.2734245 0.4885959 0.2820910 -1.0762211 2 F -1.3214908 0.3437363 -0.4735851 0.3437363 -0.9245782 0.2734245 -0.4885959 0.2820910 -1.0762211 3 F -0.7261220 -0.0000000 -0.0000000 0.0000000 -1.5199471 -0.5468490 -0.0000000 -0.5641819 -1.0762211 4 F -0.7261220 -0.0000000 -0.0000000 0.0000000 -1.5199471 -0.5468490 -0.0000000 -0.5641819 -1.0762211 5 F -1.3214908 -0.3437363 0.4735851 -0.3437363 -0.9245782 0.2734245 0.4885959 0.2820910 -1.0762211 6 F -1.3214908 0.3437363 -0.4735851 0.3437363 -0.9245782 0.2734245 -0.4885959 0.2820910 -1.0762211 7 K 1.2844894 0.0000000 0.0000000 0.0000000 1.2844894 0.0000000 -0.0000000 0.0000000 1.2213134 8 K 1.2844894 0.0000000 0.0000000 0.0000000 1.2844894 0.0000000 -0.0000000 0.0000000 1.2213134 9 Ti 4.1692284 0.0000000 0.0000000 0.0000000 4.1692284 0.0000000 -0.0000000 0.0000000 4.0146999 ---------------------------------------------------------------------------- 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, 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 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:57:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:57:21]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.740543730507176 0.000000000000000 0.000000000000000 b -2.870271865253588 4.971456702154705 0.000000000000000 c 0.000000000000000 0.000000000000000 4.651030329999999 Atomic positions (fractional): 1 F 0.31369733746264 0.15684866873132 0.77485125251808 18.998 2 F 0.84315133126868 0.15684866873132 0.77485125251808 18.998 3 F 0.84315133126868 0.68630266253736 0.77485125251808 18.998 4 F 0.15684866873132 0.31369733746264 0.22514874748192 18.998 5 F 0.68630266253736 0.84315133126868 0.22514874748192 18.998 6 F 0.15684866873132 0.84315133126868 0.22514874748192 18.998 7 K 0.33333333333333 0.66666666666667 0.70052561457336 39.098 8 K 0.66666666666667 0.33333333333333 0.29947438542664 39.098 9 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.481087461014353 0.000000000000000 0.000000000000000 b -5.740543730507176 9.942913404309410 0.000000000000000 c 0.000000000000000 0.000000000000000 13.953090989999998 Atomic positions (fractional): 1 F 0.15684866873132 0.07842433436566 0.25828375083936 18.998 > 1 2 F 0.65684866873132 0.07842433436566 0.25828375083936 18.998 > 1 3 F 0.15684866873132 0.57842433436566 0.25828375083936 18.998 > 1 4 F 0.65684866873132 0.57842433436566 0.25828375083936 18.998 > 1 5 F 0.15684866873132 0.07842433436566 0.59161708417269 18.998 > 1 6 F 0.65684866873132 0.07842433436566 0.59161708417269 18.998 > 1 7 F 0.15684866873132 0.57842433436566 0.59161708417269 18.998 > 1 8 F 0.65684866873132 0.57842433436566 0.59161708417269 18.998 > 1 9 F 0.15684866873132 0.07842433436566 0.92495041750603 18.998 > 1 10 F 0.65684866873132 0.07842433436566 0.92495041750603 18.998 > 1 11 F 0.15684866873132 0.57842433436566 0.92495041750603 18.998 > 1 12 F 0.65684866873132 0.57842433436566 0.92495041750603 18.998 > 1 13 F 0.42157566563434 0.07842433436566 0.25828375083936 18.998 > 13 14 F 0.92157566563434 0.07842433436566 0.25828375083936 18.998 > 13 15 F 0.42157566563434 0.57842433436566 0.25828375083936 18.998 > 13 16 F 0.92157566563434 0.57842433436566 0.25828375083936 18.998 > 13 17 F 0.42157566563434 0.07842433436566 0.59161708417269 18.998 > 13 18 F 0.92157566563434 0.07842433436566 0.59161708417269 18.998 > 13 19 F 0.42157566563434 0.57842433436566 0.59161708417269 18.998 > 13 20 F 0.92157566563434 0.57842433436566 0.59161708417269 18.998 > 13 21 F 0.42157566563434 0.07842433436566 0.92495041750603 18.998 > 13 22 F 0.92157566563434 0.07842433436566 0.92495041750603 18.998 > 13 23 F 0.42157566563434 0.57842433436566 0.92495041750603 18.998 > 13 24 F 0.92157566563434 0.57842433436566 0.92495041750603 18.998 > 13 25 F 0.42157566563434 0.34315133126868 0.25828375083936 18.998 > 25 26 F 0.92157566563434 0.34315133126868 0.25828375083936 18.998 > 25 27 F 0.42157566563434 0.84315133126868 0.25828375083936 18.998 > 25 28 F 0.92157566563434 0.84315133126868 0.25828375083936 18.998 > 25 29 F 0.42157566563434 0.34315133126868 0.59161708417269 18.998 > 25 30 F 0.92157566563434 0.34315133126868 0.59161708417269 18.998 > 25 31 F 0.42157566563434 0.84315133126868 0.59161708417269 18.998 > 25 32 F 0.92157566563434 0.84315133126868 0.59161708417269 18.998 > 25 33 F 0.42157566563434 0.34315133126868 0.92495041750603 18.998 > 25 34 F 0.92157566563434 0.34315133126868 0.92495041750603 18.998 > 25 35 F 0.42157566563434 0.84315133126868 0.92495041750603 18.998 > 25 36 F 0.92157566563434 0.84315133126868 0.92495041750603 18.998 > 25 37 F 0.07842433436566 0.15684866873132 0.07504958249397 18.998 > 37 38 F 0.57842433436566 0.15684866873132 0.07504958249397 18.998 > 37 39 F 0.07842433436566 0.65684866873132 0.07504958249397 18.998 > 37 40 F 0.57842433436566 0.65684866873132 0.07504958249397 18.998 > 37 41 F 0.07842433436566 0.15684866873132 0.40838291582731 18.998 > 37 42 F 0.57842433436566 0.15684866873132 0.40838291582731 18.998 > 37 43 F 0.07842433436566 0.65684866873132 0.40838291582731 18.998 > 37 44 F 0.57842433436566 0.65684866873132 0.40838291582731 18.998 > 37 45 F 0.07842433436566 0.15684866873132 0.74171624916064 18.998 > 37 46 F 0.57842433436566 0.15684866873132 0.74171624916064 18.998 > 37 47 F 0.07842433436566 0.65684866873132 0.74171624916064 18.998 > 37 48 F 0.57842433436566 0.65684866873132 0.74171624916064 18.998 > 37 49 F 0.34315133126868 0.42157566563434 0.07504958249397 18.998 > 49 50 F 0.84315133126868 0.42157566563434 0.07504958249397 18.998 > 49 51 F 0.34315133126868 0.92157566563434 0.07504958249397 18.998 > 49 52 F 0.84315133126868 0.92157566563434 0.07504958249397 18.998 > 49 53 F 0.34315133126868 0.42157566563434 0.40838291582731 18.998 > 49 54 F 0.84315133126868 0.42157566563434 0.40838291582731 18.998 > 49 55 F 0.34315133126868 0.92157566563434 0.40838291582731 18.998 > 49 56 F 0.84315133126868 0.92157566563434 0.40838291582731 18.998 > 49 57 F 0.34315133126868 0.42157566563434 0.74171624916064 18.998 > 49 58 F 0.84315133126868 0.42157566563434 0.74171624916064 18.998 > 49 59 F 0.34315133126868 0.92157566563434 0.74171624916064 18.998 > 49 60 F 0.84315133126868 0.92157566563434 0.74171624916064 18.998 > 49 61 F 0.07842433436566 0.42157566563434 0.07504958249397 18.998 > 61 62 F 0.57842433436566 0.42157566563434 0.07504958249397 18.998 > 61 63 F 0.07842433436566 0.92157566563434 0.07504958249397 18.998 > 61 64 F 0.57842433436566 0.92157566563434 0.07504958249397 18.998 > 61 65 F 0.07842433436566 0.42157566563434 0.40838291582731 18.998 > 61 66 F 0.57842433436566 0.42157566563434 0.40838291582731 18.998 > 61 67 F 0.07842433436566 0.92157566563434 0.40838291582731 18.998 > 61 68 F 0.57842433436566 0.92157566563434 0.40838291582731 18.998 > 61 69 F 0.07842433436566 0.42157566563434 0.74171624916064 18.998 > 61 70 F 0.57842433436566 0.42157566563434 0.74171624916064 18.998 > 61 71 F 0.07842433436566 0.92157566563434 0.74171624916064 18.998 > 61 72 F 0.57842433436566 0.92157566563434 0.74171624916064 18.998 > 61 73 K 0.16666666666667 0.33333333333333 0.23350853819112 39.098 > 73 74 K 0.66666666666667 0.33333333333333 0.23350853819112 39.098 > 73 75 K 0.16666666666667 0.83333333333333 0.23350853819112 39.098 > 73 76 K 0.66666666666667 0.83333333333333 0.23350853819112 39.098 > 73 77 K 0.16666666666667 0.33333333333333 0.56684187152445 39.098 > 73 78 K 0.66666666666667 0.33333333333333 0.56684187152445 39.098 > 73 79 K 0.16666666666667 0.83333333333333 0.56684187152445 39.098 > 73 80 K 0.66666666666667 0.83333333333333 0.56684187152445 39.098 > 73 81 K 0.16666666666667 0.33333333333333 0.90017520485779 39.098 > 73 82 K 0.66666666666667 0.33333333333333 0.90017520485779 39.098 > 73 83 K 0.16666666666667 0.83333333333333 0.90017520485779 39.098 > 73 84 K 0.66666666666667 0.83333333333333 0.90017520485779 39.098 > 73 85 K 0.33333333333333 0.16666666666667 0.09982479514221 39.098 > 85 86 K 0.83333333333333 0.16666666666667 0.09982479514221 39.098 > 85 87 K 0.33333333333333 0.66666666666667 0.09982479514221 39.098 > 85 88 K 0.83333333333333 0.66666666666667 0.09982479514221 39.098 > 85 89 K 0.33333333333333 0.16666666666667 0.43315812847555 39.098 > 85 90 K 0.83333333333333 0.16666666666667 0.43315812847555 39.098 > 85 91 K 0.33333333333333 0.66666666666667 0.43315812847555 39.098 > 85 92 K 0.83333333333333 0.66666666666667 0.43315812847555 39.098 > 85 93 K 0.33333333333333 0.16666666666667 0.76649146180888 39.098 > 85 94 K 0.83333333333333 0.16666666666667 0.76649146180888 39.098 > 85 95 K 0.33333333333333 0.66666666666667 0.76649146180888 39.098 > 85 96 K 0.83333333333333 0.66666666666667 0.76649146180888 39.098 > 85 97 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 97 98 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 97 99 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 97 100 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 97 101 Ti 0.00000000000000 0.00000000000000 0.33333333333333 47.867 > 97 102 Ti 0.50000000000000 0.00000000000000 0.33333333333333 47.867 > 97 103 Ti 0.00000000000000 0.50000000000000 0.33333333333333 47.867 > 97 104 Ti 0.50000000000000 0.50000000000000 0.33333333333333 47.867 > 97 105 Ti 0.00000000000000 0.00000000000000 0.66666666666667 47.867 > 97 106 Ti 0.50000000000000 0.00000000000000 0.66666666666667 47.867 > 97 107 Ti 0.00000000000000 0.50000000000000 0.66666666666667 47.867 > 97 108 Ti 0.50000000000000 0.50000000000000 0.66666666666667 47.867 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3423416 0.0000000 0.0000000 0.0000000 2.3423416 0.0000000 0.0000000 0.0000000 2.2881248 -------------------------- Born effective charges -------------------------- 1 F -1.3214908 -0.3437363 0.4735851 -0.3437363 -0.9245782 0.2734245 0.4885959 0.2820910 -1.0762211 2 F -1.3214908 0.3437363 -0.4735851 0.3437363 -0.9245782 0.2734245 -0.4885959 0.2820910 -1.0762211 3 F -0.7261220 -0.0000000 -0.0000000 0.0000000 -1.5199471 -0.5468490 -0.0000000 -0.5641819 -1.0762211 4 F -0.7261220 -0.0000000 -0.0000000 0.0000000 -1.5199471 -0.5468490 -0.0000000 -0.5641819 -1.0762211 5 F -1.3214908 -0.3437363 0.4735851 -0.3437363 -0.9245782 0.2734245 0.4885959 0.2820910 -1.0762211 6 F -1.3214908 0.3437363 -0.4735851 0.3437363 -0.9245782 0.2734245 -0.4885959 0.2820910 -1.0762211 7 K 1.2844894 0.0000000 0.0000000 0.0000000 1.2844894 0.0000000 -0.0000000 0.0000000 1.2213134 8 K 1.2844894 0.0000000 0.0000000 0.0000000 1.2844894 0.0000000 -0.0000000 0.0000000 1.2213134 9 Ti 4.1692284 0.0000000 0.0000000 0.0000000 4.1692284 0.0000000 -0.0000000 0.0000000 4.0146999 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.81, Number of G-points: 283, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/124) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 124 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 1.600 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 7.346 ( 0.000 0.000 0.000) 0.000 8.292 ( 0.000 0.000 0.000) 0.000 8.292 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.563 ( 0.000 0.000 0.000) 0.000 13.739 ( 0.000 0.000 0.000) 0.000 13.739 ( 0.000 0.000 0.000) 0.000 16.555 ( 0.000 0.000 0.000) 0.000 16.983 ( 0.000 0.000 0.000) 0.000 16.983 ( 0.000 0.000 0.000) 0.000 17.754 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/124) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 15.187 8.768 -1.834) 17.633 0.493 ( 20.863 12.045 -0.359) 24.093 0.928 ( 39.069 22.557 0.572) 45.117 1.671 ( 5.716 3.300 0.143) 6.601 2.343 ( 1.136 0.656 -1.471) 1.971 2.403 ( 5.864 3.386 0.768) 6.815 2.783 ( -1.443 -0.833 1.484) 2.231 2.930 ( -1.378 -0.796 -0.270) 1.614 3.414 ( -3.735 -2.156 2.169) 4.828 3.669 ( -4.716 -2.723 -2.300) 5.911 3.752 ( 1.763 1.018 -1.627) 2.606 4.967 ( -1.818 -1.050 0.679) 2.207 4.993 ( 1.419 0.819 -0.260) 1.659 5.221 ( 3.739 2.159 0.039) 4.318 5.301 ( -4.046 -2.336 1.757) 4.991 7.324 ( -1.844 -1.065 -1.038) 2.369 8.255 ( -2.969 -1.714 0.398) 3.451 8.314 ( 1.825 1.054 1.434) 2.549 8.491 ( 0.940 0.542 -0.314) 1.129 8.550 ( -1.062 -0.613 -0.034) 1.226 8.836 ( 0.512 0.296 -1.296) 1.425 13.733 ( -0.493 -0.285 -0.514) 0.767 13.792 ( 4.491 2.593 -1.055) 5.292 16.494 ( -5.153 -2.975 -2.746) 6.553 17.003 ( 1.697 0.980 0.346) 1.989 17.748 ( -0.541 -0.312 0.010) 0.625 19.983 ( -1.356 -0.783 3.079) 3.455 ======================= Grid point 2 (3/124) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 13.876 8.011 -1.517) 16.094 0.961 ( 19.197 11.084 -1.074) 22.193 1.794 ( 35.038 20.229 -0.569) 40.463 1.835 ( 7.539 4.353 0.895) 8.752 2.384 ( 2.414 1.394 -2.822) 3.967 2.556 ( 5.335 3.080 0.937) 6.231 2.759 ( 0.562 0.325 5.331) 5.370 2.885 ( -2.156 -1.245 -2.783) 3.734 3.313 ( -4.626 -2.671 2.916) 6.086 3.523 ( -7.350 -4.244 -2.881) 8.963 3.788 ( 1.128 0.651 -1.869) 2.278 4.906 ( -3.398 -1.962 1.083) 4.071 5.037 ( 2.262 1.306 -0.335) 2.634 5.166 ( -7.398 -4.271 2.329) 8.854 5.342 ( 6.442 3.719 0.137) 7.440 7.264 ( -3.171 -1.831 -1.638) 4.012 8.166 ( -4.428 -2.557 0.393) 5.129 8.371 ( 2.805 1.620 2.670) 4.198 8.514 ( 0.975 0.563 -0.282) 1.160 8.517 ( -1.693 -0.978 -0.312) 1.980 8.851 ( 0.755 0.436 -2.221) 2.386 13.719 ( -0.680 -0.392 -0.804) 1.123 13.944 ( 8.417 4.860 -1.656) 9.860 16.323 ( -9.401 -5.428 -4.609) 11.794 17.056 ( 2.645 1.527 0.540) 3.101 17.731 ( -0.880 -0.508 0.059) 1.018 19.939 ( -2.277 -1.315 5.039) 5.684 ======================= Grid point 3 (4/124) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 11.232 6.485 -0.944) 13.004 1.375 ( 16.217 9.363 -1.851) 18.817 1.988 ( 5.230 3.019 1.800) 6.301 2.445 ( 2.291 1.323 -3.099) 4.075 2.483 ( 14.369 8.296 -9.846) 19.294 2.626 ( 11.379 6.570 7.846) 15.304 2.753 ( -3.832 -2.212 4.238) 6.127 2.941 ( 8.091 4.671 -0.939) 9.389 3.219 ( -2.967 -1.713 2.577) 4.287 3.356 ( -6.368 -3.677 -1.100) 7.435 3.800 ( -0.142 -0.082 -1.472) 1.481 4.817 ( -4.052 -2.339 1.145) 4.816 4.965 ( -9.559 -5.519 2.275) 11.270 5.092 ( 2.213 1.278 -0.965) 2.732 5.503 ( 6.955 4.015 0.174) 8.033 7.185 ( -3.447 -1.990 -1.599) 4.290 8.060 ( -4.519 -2.609 0.225) 5.223 8.428 ( 1.359 0.784 3.669) 3.990 8.484 ( -0.366 -0.211 -1.118) 1.195 8.534 ( 0.761 0.439 -0.149) 0.891 8.868 ( 0.648 0.374 -2.436) 2.548 13.704 ( -0.539 -0.311 -0.770) 0.991 14.171 ( 10.769 6.217 -1.483) 12.523 16.073 ( -11.637 -6.719 -4.931) 14.313 17.118 ( 2.527 1.459 0.517) 2.964 17.709 ( -0.881 -0.508 0.109) 1.023 19.883 ( -2.391 -1.380 5.116) 5.813 ======================= Grid point 4 (5/124) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 6.640 3.834 -0.321) 7.674 1.697 ( 10.920 6.304 -2.036) 12.772 2.072 ( 2.040 1.178 1.813) 2.972 2.464 ( -0.764 -0.441 -1.467) 1.711 2.495 ( -1.565 -0.903 -3.096) 3.585 2.635 ( -4.920 -2.841 0.915) 5.754 3.043 ( 10.104 5.833 -4.391) 12.465 3.166 ( 8.501 4.908 5.585) 11.294 3.189 ( 0.182 0.105 1.132) 1.151 3.268 ( 2.483 1.434 1.373) 3.179 3.787 ( -0.780 -0.450 -0.760) 1.178 4.732 ( -2.932 -1.693 0.763) 3.470 4.742 ( -8.835 -5.101 0.794) 10.233 5.134 ( 1.337 0.772 -0.560) 1.643 5.643 ( 4.609 2.661 0.121) 5.324 7.115 ( -2.288 -1.321 -0.971) 2.815 7.969 ( -2.977 -1.719 0.078) 3.439 8.419 ( -1.018 -0.588 1.185) 1.670 8.512 ( 1.594 0.920 0.541) 1.918 8.548 ( 0.432 0.250 -0.050) 0.502 8.879 ( 0.328 0.189 -1.660) 1.702 13.695 ( -0.265 -0.153 -0.461) 0.553 14.414 ( 9.202 5.313 -0.657) 10.646 15.814 ( -9.677 -5.587 -3.385) 11.675 17.166 ( 1.506 0.870 0.309) 1.767 17.692 ( -0.542 -0.313 0.092) 0.633 19.836 ( -1.540 -0.889 3.204) 3.664 ======================= Grid point 5 (6/124) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.000 0.000 -0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 -0.000) 0.000 2.443 ( 0.000 0.000 -0.000) 0.000 2.479 ( -0.000 -0.000 0.000) 0.000 2.566 ( 0.000 0.000 -0.000) 0.000 3.141 ( 0.000 0.000 -0.000) 0.000 3.187 ( -0.000 -0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 -0.000) 0.000 3.775 ( 0.000 0.000 -0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.695 ( 0.000 0.000 -0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 -0.000) 0.000 7.087 ( 0.000 0.000 0.000) 0.000 7.933 ( 0.000 0.000 -0.000) 0.000 8.405 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.553 ( 0.000 0.000 -0.000) 0.000 8.883 ( 0.000 0.000 0.000) 0.000 13.692 ( 0.000 0.000 0.000) 0.000 14.536 ( 0.000 0.000 -0.000) 0.000 15.687 ( 0.000 0.000 0.000) 0.000 17.184 ( 0.000 0.000 0.000) 0.000 17.686 ( 0.000 0.000 0.000) 0.000 19.817 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/124) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 8.031 13.910 0.000) 16.062 0.860 ( 12.096 20.952 0.000) 24.193 1.563 ( 20.666 35.795 0.000) 41.332 1.792 ( 4.682 8.110 0.000) 9.365 2.373 ( 1.231 2.131 0.000) 2.461 2.514 ( 3.922 6.793 0.000) 7.844 2.755 ( -0.800 -1.385 0.000) 1.600 2.898 ( -1.373 -2.378 0.000) 2.745 3.333 ( -2.949 -5.108 0.000) 5.898 3.601 ( -3.149 -5.455 0.000) 6.298 3.761 ( 0.567 0.982 0.000) 1.134 4.929 ( -1.565 -2.711 0.000) 3.131 5.019 ( 1.021 1.768 0.000) 2.041 5.209 ( -3.797 -6.576 0.000) 7.593 5.305 ( 3.453 5.980 0.000) 6.905 7.282 ( -1.740 -3.014 0.000) 3.481 8.244 ( -1.357 -2.351 0.000) 2.714 8.281 ( -0.451 -0.781 0.000) 0.901 8.527 ( -0.943 -1.633 0.000) 1.885 8.528 ( 1.487 2.575 0.000) 2.973 8.846 ( 0.419 0.725 0.000) 0.838 13.772 ( 0.817 1.415 0.000) 1.633 13.837 ( 2.633 4.560 0.000) 5.266 16.368 ( -5.267 -9.123 0.000) 10.534 17.073 ( 3.111 5.388 0.000) 6.222 17.736 ( -0.476 -0.824 0.000) 0.952 19.940 ( -1.940 -3.360 0.000) 3.880 ======================= Grid point 13 (8/124) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 9.804 9.594 -0.633) 13.732 1.277 ( 12.271 18.621 -1.037) 22.325 1.965 ( 4.674 8.191 1.095) 9.494 2.266 ( 22.996 24.295 -2.219) 33.526 2.427 ( 2.113 2.970 -1.874) 4.099 2.592 ( 0.050 -0.196 1.403) 1.418 2.774 ( 0.979 1.191 5.700) 5.905 2.853 ( 1.856 -1.708 -3.714) 4.490 3.235 ( -2.412 -3.911 1.140) 4.734 3.460 ( -7.106 -2.991 -0.611) 7.734 3.783 ( 1.202 -0.555 -1.007) 1.664 4.862 ( -3.141 -2.225 0.647) 3.903 5.041 ( -6.174 -7.131 2.101) 9.663 5.062 ( 1.455 0.423 -1.214) 1.941 5.450 ( 5.340 6.698 0.095) 8.567 7.210 ( -2.585 -3.416 -0.914) 4.380 8.144 ( -6.584 -0.265 -0.053) 6.590 8.311 ( 5.451 -5.373 1.355) 7.773 8.488 ( -1.375 -1.708 -0.151) 2.198 8.581 ( 0.438 4.487 0.330) 4.520 8.862 ( 0.537 0.603 -1.366) 1.587 13.765 ( -3.620 4.135 -0.332) 5.506 13.998 ( 11.142 1.288 -1.004) 11.261 16.148 ( -7.844 -10.988 -2.413) 13.715 17.197 ( 0.709 11.760 -0.116) 11.782 17.717 ( -0.699 -0.841 0.059) 1.095 19.856 ( -1.434 -7.023 2.992) 7.768 ======================= Grid point 14 (9/124) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 8.125 5.495 -0.409) 9.818 1.643 ( 9.186 16.156 -2.061) 18.699 2.092 ( 0.948 6.813 2.074) 7.185 2.463 ( 0.165 0.143 -2.236) 2.247 2.530 ( -2.285 0.420 -3.304) 4.039 2.697 ( -5.121 -2.211 0.894) 5.649 2.845 ( 15.743 7.176 -1.102) 17.337 3.013 ( 13.663 4.639 4.700) 15.175 3.191 ( 0.275 -0.874 0.484) 1.036 3.325 ( -6.036 0.172 0.412) 6.053 3.784 ( 0.009 -1.319 -0.948) 1.624 4.785 ( -3.846 -0.450 0.442) 3.897 4.833 ( -8.067 -7.082 1.337) 10.818 5.103 ( 2.198 -0.221 -0.571) 2.282 5.606 ( 4.647 5.958 0.120) 7.557 7.133 ( -2.223 -2.967 -0.969) 3.831 8.032 ( -5.488 -0.464 -0.009) 5.508 8.345 ( 5.188 -6.598 1.523) 8.530 8.451 ( -0.757 -1.635 -0.449) 1.857 8.631 ( -0.740 5.659 0.710) 5.751 8.875 ( 0.395 0.242 -1.679) 1.742 13.744 ( -3.244 3.801 -0.406) 5.014 14.221 ( 13.347 -1.015 -0.867) 13.414 15.895 ( -8.348 -9.788 -2.736) 13.153 17.319 ( -4.173 17.750 -0.360) 18.238 17.697 ( -0.571 -0.652 0.110) 0.874 19.761 ( 1.359 -10.991 3.381) 11.579 ======================= Grid point 15 (10/124) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 3.609 1.186 -0.078) 3.800 1.895 ( 1.791 12.363 -1.783) 12.619 2.137 ( -1.965 4.466 1.616) 5.140 2.440 ( -0.799 -1.497 -0.040) 1.698 2.502 ( -1.556 1.870 -1.889) 3.080 2.589 ( -3.977 -1.100 0.281) 4.135 3.036 ( 7.552 -2.652 -1.732) 8.189 3.163 ( 0.430 -2.675 1.661) 3.178 3.254 ( -0.204 -0.695 0.621) 0.954 3.354 ( 7.346 6.709 1.336) 10.038 3.765 ( 0.062 -1.772 -0.421) 1.822 4.650 ( -4.828 -3.402 0.049) 5.906 4.737 ( -2.922 2.341 0.478) 3.775 5.129 ( 1.569 -1.389 -0.245) 2.109 5.709 ( 1.105 3.765 0.056) 3.924 7.083 ( -0.551 -1.768 -0.399) 1.894 7.958 ( -2.625 0.519 -0.007) 2.676 8.357 ( 3.884 -6.410 0.703) 7.527 8.433 ( 0.850 -2.164 -0.290) 2.343 8.664 ( -2.275 5.746 0.408) 6.193 8.881 ( 0.218 -0.138 -0.780) 0.822 13.731 ( -2.431 3.554 -0.171) 4.310 14.401 ( 9.892 -6.171 -0.262) 11.662 15.701 ( -3.969 -4.753 -1.232) 6.313 17.395 ( -9.582 20.688 -0.218) 22.800 17.686 ( -0.174 -0.304 0.063) 0.356 19.697 ( 5.436 -12.980 1.453) 14.147 ======================= Grid point 23 (11/124) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 4.923 8.527 0.000) 9.846 1.653 ( 10.303 17.845 0.000) 20.606 2.131 ( 4.102 7.105 0.000) 8.204 2.464 ( 0.880 1.524 0.000) 1.760 2.563 ( -0.716 -1.241 0.000) 1.433 2.697 ( 5.420 9.388 0.000) 10.840 2.818 ( 0.250 0.432 0.000) 0.499 2.838 ( 5.371 9.302 0.000) 10.741 3.183 ( -0.826 -1.430 0.000) 1.652 3.392 ( -1.794 -3.107 0.000) 3.587 3.772 ( -0.457 -0.791 0.000) 0.914 4.825 ( -0.725 -1.257 0.000) 1.451 4.869 ( -5.297 -9.174 0.000) 10.594 5.076 ( 0.275 0.477 0.000) 0.551 5.596 ( 4.286 7.424 0.000) 8.572 7.136 ( -2.074 -3.593 0.000) 4.149 8.119 ( -1.966 -3.406 0.000) 3.933 8.220 ( -1.295 -2.243 0.000) 2.590 8.452 ( -1.027 -1.779 0.000) 2.054 8.667 ( 2.233 3.868 0.000) 4.466 8.872 ( 0.197 0.341 0.000) 0.393 13.836 ( 1.000 1.733 0.000) 2.001 14.045 ( 2.545 4.409 0.000) 5.091 15.916 ( -6.552 -11.348 0.000) 13.104 17.483 ( 8.989 15.570 0.000) 17.979 17.699 ( -0.495 -0.857 0.000) 0.990 19.669 ( -6.338 -10.978 0.000) 12.676 ======================= Grid point 24 (12/124) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 3.890 3.381 -0.066) 5.154 1.968 ( 6.326 14.676 -1.635) 16.065 2.215 ( -0.841 3.882 1.609) 4.286 2.446 ( -1.860 -2.424 0.110) 3.057 2.564 ( -1.272 4.849 -0.853) 5.086 2.702 ( -6.264 3.606 -1.119) 7.314 2.861 ( 8.242 -1.831 -0.800) 8.481 3.098 ( 8.431 -0.542 3.111) 9.004 3.149 ( -0.526 -3.958 -0.531) 4.028 3.391 ( 1.138 6.917 0.255) 7.014 3.743 ( -0.629 -2.892 -0.408) 2.988 4.695 ( -5.069 -5.913 -0.030) 7.788 4.815 ( -1.641 3.150 0.438) 3.579 5.080 ( 1.172 -2.144 -0.201) 2.452 5.727 ( 2.573 5.648 0.041) 6.207 7.075 ( -1.174 -2.557 -0.257) 2.825 8.031 ( -4.712 0.266 -0.133) 4.721 8.208 ( 3.814 -6.383 0.437) 7.449 8.422 ( -0.570 -1.245 -0.091) 1.372 8.733 ( 0.381 4.373 0.418) 4.410 8.874 ( 0.082 -0.380 -0.612) 0.724 13.839 ( -3.739 5.219 -0.052) 6.420 14.159 ( 8.919 -4.385 -0.261) 9.942 15.717 ( -4.714 -7.351 -0.599) 8.753 17.684 ( -0.380 -0.371 -0.106) 0.541 17.778 ( -0.855 26.297 -0.384) 26.313 19.448 ( 0.016 -19.782 1.175) 19.817 ======================= Grid point 25 (13/124) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.309 -0.535 0.000) 0.618 2.127 ( -5.053 8.752 0.000) 10.106 2.204 ( -1.135 1.966 -0.000) 2.270 2.402 ( 1.383 -2.396 -0.000) 2.766 2.605 ( -4.698 8.138 -0.000) 9.397 2.632 ( -3.839 6.650 -0.000) 7.679 2.979 ( 2.360 -4.087 0.000) 4.719 3.071 ( 2.937 -5.088 -0.000) 5.875 3.156 ( 4.833 -8.371 0.000) 9.666 3.476 ( -2.921 5.059 0.000) 5.841 3.714 ( 1.784 -3.090 -0.000) 3.568 4.612 ( 0.324 -0.561 -0.000) 0.647 4.819 ( -3.041 5.268 0.000) 6.083 5.078 ( 2.026 -3.509 -0.000) 4.052 5.781 ( -1.696 2.937 0.000) 3.391 7.051 ( 0.716 -1.239 -0.000) 1.431 7.989 ( -1.437 2.489 0.000) 2.874 8.210 ( 4.150 -7.189 -0.000) 8.301 8.410 ( 0.368 -0.637 -0.000) 0.735 8.760 ( -2.172 3.762 0.000) 4.344 8.872 ( 0.440 -0.763 0.000) 0.881 13.831 ( -3.548 6.145 -0.000) 7.095 14.221 ( 5.851 -10.134 0.000) 11.701 15.634 ( 1.197 -2.072 0.000) 2.393 17.678 ( 0.082 -0.142 -0.000) 0.164 17.917 ( -16.370 28.354 -0.000) 32.741 19.334 ( 12.574 -21.779 -0.000) 25.149 ======================= Grid point 35 (14/124) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.600 1.039 0.000) 1.200 2.192 ( 3.893 6.743 0.000) 7.786 2.249 ( 0.674 1.168 0.000) 1.348 2.365 ( -2.715 -4.703 0.000) 5.430 2.734 ( 5.570 9.647 0.000) 11.139 2.822 ( 1.196 2.071 0.000) 2.392 2.842 ( 3.114 5.394 0.000) 6.229 3.002 ( -3.994 -6.918 0.000) 7.988 3.027 ( -4.577 -7.928 0.000) 9.154 3.539 ( 3.587 6.214 0.000) 7.175 3.670 ( -2.350 -4.070 0.000) 4.700 4.610 ( -1.304 -2.258 0.000) 2.607 4.899 ( 2.556 4.427 0.000) 5.112 5.019 ( -2.054 -3.558 0.000) 4.109 5.813 ( 1.385 2.398 0.000) 2.769 7.038 ( -0.577 -0.999 0.000) 1.154 8.041 ( 0.360 0.624 0.000) 0.720 8.108 ( -1.817 -3.147 0.000) 3.633 8.404 ( -0.278 -0.481 0.000) 0.556 8.805 ( 1.539 2.665 0.000) 3.077 8.857 ( -0.721 -1.249 0.000) 1.442 13.938 ( 2.328 4.032 0.000) 4.656 14.070 ( -2.192 -3.796 0.000) 4.383 15.613 ( -1.565 -2.711 0.000) 3.130 17.676 ( -0.123 -0.214 0.000) 0.247 18.324 ( 14.575 25.245 0.000) 29.151 18.999 ( -13.066 -22.630 0.000) 26.131 ======================= Grid point 109 (15/124) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 0.000 -0.000 18.147) 18.147 0.355 ( 0.000 0.000 18.147) 18.147 0.764 ( 0.000 -0.000 38.562) 38.562 1.671 ( 0.000 0.000 6.959) 6.959 2.314 ( 0.000 -0.000 -1.494) 1.494 2.314 ( 0.000 -0.000 -1.494) 1.494 2.945 ( 0.000 0.000 -0.122) 0.122 3.447 ( -0.000 0.000 -1.692) 1.692 3.447 ( 0.000 -0.000 -1.692) 1.692 3.723 ( 0.000 -0.000 -0.304) 0.304 3.723 ( 0.000 -0.000 -0.304) 0.304 4.348 ( 0.000 0.000 -0.855) 0.855 4.924 ( -0.000 0.000 -6.519) 6.519 4.924 ( 0.000 -0.000 -6.519) 6.519 5.157 ( 0.000 -0.000 -1.966) 1.966 8.006 ( 0.000 -0.000 0.449) 0.449 8.305 ( 0.000 0.000 1.326) 1.326 8.305 ( 0.000 0.000 1.326) 1.326 8.491 ( 0.000 0.000 1.296) 1.296 8.491 ( 0.000 0.000 1.296) 1.296 8.555 ( 0.000 0.000 -0.826) 0.826 13.752 ( 0.000 0.000 1.275) 1.275 13.752 ( 0.000 -0.000 1.275) 1.275 16.945 ( 0.000 0.000 -3.826) 3.826 16.945 ( 0.000 -0.000 -3.826) 3.826 17.753 ( 0.000 0.000 -0.129) 0.129 19.504 ( 0.000 0.000 -1.393) 1.393 ======================= Grid point 110 (16/124) ======================= q-point: ( 0.10 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 10.558 6.096 16.378) 20.417 0.594 ( 16.212 9.360 9.520) 21.001 1.151 ( 28.607 16.516 20.848) 39.062 1.741 ( 5.724 3.305 6.712) 9.420 2.300 ( 0.003 0.002 -2.701) 2.701 2.420 ( 7.601 4.388 0.320) 8.783 2.811 ( -6.855 -3.958 0.724) 7.948 3.192 ( -7.410 -4.278 17.054) 19.081 3.447 ( -2.109 -1.218 1.062) 2.657 3.614 ( -6.333 -3.657 -3.043) 7.921 3.712 ( 0.755 0.436 -2.344) 2.501 4.835 ( 15.530 8.966 -26.802) 32.248 4.915 ( -1.383 -0.798 -5.937) 6.148 4.925 ( 0.659 0.381 -7.153) 7.194 5.202 ( 3.834 2.214 -1.904) 4.820 7.594 ( -15.364 -8.870 14.297) 22.785 8.276 ( -2.804 -1.619 1.738) 3.675 8.356 ( 2.779 1.604 2.371) 3.990 8.497 ( 0.799 0.461 0.934) 1.313 8.536 ( -0.993 -0.574 -1.449) 1.848 8.726 ( 6.382 3.685 -5.272) 9.061 13.737 ( -0.777 -0.449 0.902) 1.272 13.799 ( 3.664 2.116 1.867) 4.625 16.762 ( -11.244 -6.491 15.296) 20.063 16.971 ( 1.840 1.062 -3.625) 4.202 17.752 ( -0.445 -0.257 0.240) 0.567 19.661 ( 7.314 4.223 -21.053) 22.684 ======================= Grid point 111 (17/124) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 12.391 7.154 12.482) 18.987 0.990 ( 17.004 9.817 3.829) 20.005 1.850 ( 28.824 16.642 7.209) 34.055 1.910 ( 7.957 4.594 6.515) 11.263 2.318 ( 1.675 0.967 -3.675) 4.152 2.631 ( 7.608 4.393 5.244) 10.231 2.726 ( 1.598 0.922 -3.673) 4.110 3.031 ( -7.604 -4.390 11.831) 14.733 3.369 ( -4.142 -2.391 2.769) 5.527 3.472 ( -5.476 -3.162 -2.266) 6.717 3.740 ( 1.268 0.732 -3.040) 3.374 4.861 ( -3.189 -1.841 -5.568) 6.676 4.918 ( -1.525 -0.880 -15.788) 15.886 5.006 ( 2.127 1.228 -10.239) 10.529 5.326 ( 6.500 3.753 -1.809) 7.721 7.356 ( -6.927 -3.999 8.469) 11.649 8.188 ( -4.476 -2.584 1.816) 5.478 8.426 ( 3.030 1.750 2.364) 4.223 8.503 ( -1.684 -0.972 -0.888) 2.138 8.520 ( 0.984 0.568 0.813) 1.397 8.807 ( 1.943 1.122 -1.640) 2.779 13.719 ( -0.699 -0.403 0.830) 1.158 13.934 ( 7.961 4.596 1.183) 9.269 16.485 ( -12.587 -7.267 17.198) 22.517 17.024 ( 2.578 1.488 -3.727) 4.770 17.734 ( -0.975 -0.563 0.265) 1.157 19.763 ( 1.884 1.088 -19.910) 20.028 ======================= Grid point 112 (18/124) ======================= q-point: ( 0.30 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 12.099 6.985 11.466) 18.073 1.362 ( 14.688 8.480 0.486) 16.967 2.069 ( 5.154 2.976 5.967) 8.428 2.359 ( 10.927 6.309 -1.697) 12.731 2.380 ( 3.442 1.987 -2.983) 4.969 2.692 ( 3.451 1.993 -1.879) 4.406 2.854 ( -4.212 -2.432 6.579) 8.181 2.977 ( 13.868 8.007 4.167) 16.547 3.275 ( -3.558 -2.054 3.063) 5.125 3.366 ( -3.712 -2.143 2.107) 4.776 3.761 ( 0.526 0.304 -2.455) 2.529 4.773 ( -4.175 -2.410 -5.501) 7.314 4.813 ( -7.214 -4.165 -15.098) 17.244 5.043 ( 1.641 0.948 -5.101) 5.441 5.487 ( 6.911 3.990 -1.822) 8.185 7.231 ( -4.143 -2.392 5.497) 7.287 8.080 ( -4.573 -2.640 1.831) 5.589 8.448 ( -1.778 -1.027 -2.412) 3.167 8.502 ( 2.154 1.244 3.353) 4.175 8.540 ( 0.760 0.439 0.713) 1.131 8.845 ( 1.577 0.911 0.317) 1.848 13.707 ( -0.319 -0.184 1.043) 1.107 14.159 ( 11.015 6.359 0.716) 12.739 16.187 ( -12.665 -7.312 14.916) 20.889 17.082 ( 2.299 1.327 -4.064) 4.854 17.710 ( -0.996 -0.575 -0.015) 1.150 19.768 ( -1.129 -0.652 -15.837) 15.891 ======================= Grid point 113 (19/124) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 8.387 4.842 14.253) 17.232 1.656 ( 10.220 5.901 -1.821) 11.941 2.147 ( 1.829 1.056 4.908) 5.343 2.417 ( -0.834 -0.481 -3.507) 3.637 2.443 ( 1.233 0.712 0.019) 1.423 2.626 ( -5.167 -2.983 -1.634) 6.186 2.981 ( 8.075 4.662 -2.261) 9.595 3.220 ( -1.043 -0.602 2.092) 2.414 3.276 ( 1.651 0.953 5.475) 5.798 3.329 ( 8.307 4.796 4.469) 10.583 3.766 ( 0.054 0.031 -1.342) 1.343 4.621 ( -8.156 -4.709 -12.012) 15.264 4.681 ( -3.461 -1.998 -5.895) 7.122 5.080 ( 1.347 0.778 -5.215) 5.442 5.624 ( 4.495 2.595 -1.954) 5.545 7.160 ( -1.858 -1.073 5.056) 5.492 7.989 ( -2.993 -1.728 1.888) 3.939 8.405 ( -1.660 -0.958 -2.403) 3.074 8.540 ( 0.876 0.506 1.968) 2.213 8.554 ( 0.421 0.243 0.603) 0.775 8.884 ( 1.726 0.996 2.063) 2.868 13.705 ( 0.100 0.058 1.437) 1.442 14.413 ( 9.715 5.609 0.806) 11.247 15.930 ( -8.421 -4.862 14.254) 17.255 17.124 ( 1.209 0.698 -4.491) 4.703 17.690 ( -0.669 -0.386 -0.275) 0.820 19.722 ( -2.638 -1.523 -14.326) 14.646 ======================= Grid point 114 (20/124) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.381 0.220 17.146) 17.152 1.806 ( 1.831 1.057 -2.535) 3.300 2.158 ( -1.099 -0.635 5.604) 5.746 2.431 ( 2.736 1.580 -4.634) 5.609 2.450 ( 0.565 0.326 1.209) 1.374 2.550 ( -1.125 -0.649 -1.394) 1.905 3.112 ( 3.344 1.930 -2.400) 4.546 3.207 ( -0.727 -0.420 0.981) 1.292 3.229 ( -2.605 -1.504 3.857) 4.892 3.448 ( -3.205 -1.850 2.522) 4.478 3.772 ( 0.641 0.370 -0.318) 0.805 4.510 ( 0.001 0.000 -10.262) 10.262 4.629 ( -0.701 -0.405 -6.665) 6.714 5.100 ( 0.337 0.194 -5.291) 5.306 5.678 ( -0.103 -0.059 -2.095) 2.099 7.147 ( 0.762 0.440 5.582) 5.651 7.952 ( -0.058 -0.033 1.889) 1.890 8.377 ( -0.697 -0.403 -2.800) 2.913 8.542 ( -0.648 -0.374 0.999) 1.248 8.559 ( 0.035 0.020 0.575) 0.576 8.920 ( 1.305 0.753 3.490) 3.801 13.711 ( 0.395 0.228 1.887) 1.942 14.544 ( 0.369 0.213 1.044) 1.128 15.856 ( 3.083 1.780 16.377) 16.760 17.136 ( -0.268 -0.155 -4.863) 4.873 17.681 ( -0.097 -0.056 -0.465) 0.478 19.656 ( -2.772 -1.601 -15.917) 16.236 ======================= Grid point 116 (21/124) ======================= q-point: (-0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -7.142 -4.123 16.375) 18.334 1.720 ( -8.916 -5.148 0.183) 10.297 2.103 ( -3.191 -1.843 5.077) 6.274 2.488 ( 1.863 1.075 1.069) 2.402 2.515 ( 3.154 1.821 -0.906) 3.753 2.580 ( 3.285 1.896 -4.586) 5.951 3.080 ( -7.606 -4.391 -2.994) 9.279 3.159 ( -12.385 -7.150 7.189) 16.006 3.176 ( -1.468 -0.847 -0.100) 1.697 3.269 ( 1.111 0.642 1.281) 1.813 3.797 ( 1.253 0.723 0.249) 1.468 4.606 ( 6.645 3.837 -11.619) 13.924 4.651 ( 2.460 1.420 -7.339) 7.870 5.093 ( -1.003 -0.579 -5.161) 5.289 5.620 ( -4.638 -2.678 -2.131) 5.764 7.193 ( 3.061 1.767 6.287) 7.212 7.986 ( 2.803 1.618 1.696) 3.654 8.370 ( -0.020 -0.011 -3.336) 3.336 8.518 ( -1.193 -0.689 0.911) 1.652 8.556 ( -0.302 -0.174 0.714) 0.795 8.939 ( 0.207 0.119 4.038) 4.045 13.722 ( 0.564 0.326 2.261) 2.353 14.435 ( -8.506 -4.911 1.632) 9.956 16.056 ( 12.605 7.277 20.123) 24.835 17.113 ( -1.660 -0.958 -5.064) 5.415 17.687 ( 0.567 0.328 -0.488) 0.817 19.602 ( -1.771 -1.023 -19.945) 20.049 ======================= Grid point 117 (22/124) ======================= q-point: (-0.30 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -11.073 -6.393 15.156) 19.829 1.428 ( -15.405 -8.894 3.368) 18.104 2.012 ( -4.773 -2.756 4.396) 7.050 2.470 ( -17.602 -10.162 -6.663) 21.389 2.492 ( -1.869 -1.079 1.699) 2.746 2.609 ( 1.181 0.682 -3.544) 3.798 2.748 ( -8.976 -5.182 9.615) 14.137 2.989 ( -2.402 -1.387 3.085) 4.148 3.175 ( 1.897 1.095 -1.831) 2.855 3.407 ( 7.832 4.522 3.979) 9.880 3.819 ( 0.450 0.260 0.499) 0.721 4.730 ( 3.945 2.278 -7.621) 8.879 4.761 ( 6.032 3.483 -16.021) 17.470 5.056 ( -2.024 -1.168 -5.229) 5.727 5.480 ( -6.919 -3.995 -2.069) 8.253 7.282 ( 4.481 2.587 7.227) 8.888 8.071 ( 4.280 2.471 1.344) 5.122 8.364 ( -0.773 -0.446 -2.909) 3.043 8.500 ( -0.035 -0.020 0.740) 0.742 8.546 ( -0.551 -0.318 1.019) 1.201 8.928 ( -1.190 -0.687 3.409) 3.675 13.736 ( 0.622 0.359 2.416) 2.520 14.205 ( -10.482 -6.052 1.946) 12.259 16.373 ( 13.569 7.834 23.735) 28.440 17.063 ( -2.505 -1.446 -5.019) 5.792 17.706 ( 1.078 0.622 -0.190) 1.259 19.578 ( -0.218 -0.126 -24.585) 24.586 ======================= Grid point 118 (23/124) ======================= q-point: (-0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -12.595 -7.272 15.305) 21.113 1.033 ( -18.167 -10.488 6.084) 21.841 1.841 ( -31.012 -17.905 4.682) 36.114 1.879 ( -6.472 -3.737 5.351) 9.192 2.423 ( -3.388 -1.956 1.145) 4.077 2.547 ( -8.327 -4.808 -3.758) 10.323 2.689 ( 3.357 1.938 2.757) 4.757 3.031 ( 4.482 2.588 9.320) 10.661 3.257 ( 4.551 2.628 -2.799) 5.954 3.586 ( 6.816 3.935 3.588) 8.650 3.812 ( -1.050 -0.606 0.586) 1.347 4.820 ( 3.603 2.080 -7.544) 8.615 4.859 ( 1.667 0.962 -21.119) 21.206 5.007 ( -2.112 -1.219 -6.582) 7.019 5.321 ( -6.374 -3.680 -1.985) 7.623 7.403 ( 6.184 3.570 9.648) 12.003 8.173 ( 4.274 2.467 1.030) 5.041 8.336 ( -1.374 -0.793 -0.847) 1.799 8.515 ( 1.070 0.617 -0.369) 1.289 8.531 ( -0.791 -0.457 1.365) 1.642 8.881 ( -3.034 -1.752 0.967) 3.635 13.749 ( 0.485 0.280 2.254) 2.322 13.976 ( -8.828 -5.097 1.538) 10.309 16.651 ( 9.981 5.762 24.224) 26.826 17.003 ( -2.433 -1.405 -4.718) 5.491 17.733 ( 1.109 0.640 0.347) 1.327 19.588 ( 0.804 0.464 -26.848) 26.864 ======================= Grid point 119 (24/124) ======================= q-point: (-0.10 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -13.003 -7.507 15.215) 21.376 0.612 ( -17.094 -9.869 10.793) 22.496 1.131 ( -27.678 -15.980 20.542) 37.993 1.736 ( -5.121 -2.957 6.527) 8.808 2.354 ( -2.355 -1.359 -0.187) 2.725 2.371 ( -5.724 -3.305 -2.696) 7.139 2.810 ( 7.400 4.272 1.832) 8.738 3.170 ( 8.601 4.966 16.067) 18.889 3.365 ( 4.450 2.569 -2.832) 5.867 3.695 ( 2.197 1.269 0.079) 2.538 3.773 ( -2.191 -1.265 0.511) 2.582 4.774 ( -11.941 -6.894 -26.939) 30.263 4.890 ( 2.293 1.324 -7.151) 7.626 4.956 ( -2.130 -1.230 -7.185) 7.594 5.201 ( -3.705 -2.139 -1.946) 4.700 7.615 ( 14.085 8.132 14.575) 21.839 8.261 ( 3.091 1.785 0.971) 3.699 8.312 ( -0.458 -0.264 1.165) 1.279 8.510 ( -0.981 -0.566 1.532) 1.905 8.539 ( 0.797 0.460 -1.131) 1.459 8.762 ( -8.488 -4.901 -4.587) 10.821 13.756 ( 0.079 0.046 1.809) 1.811 13.809 ( -5.243 -3.027 0.844) 6.112 16.835 ( 6.302 3.639 16.524) 18.055 16.957 ( -1.366 -0.789 -4.256) 4.539 17.752 ( 0.427 0.246 0.307) 0.581 19.589 ( -1.840 -1.062 -21.717) 21.821 ======================= Grid point 121 (25/124) ======================= q-point: ( 0.10 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 4.825 13.081 14.429) 20.065 0.927 ( 9.570 20.293 6.221) 23.282 1.645 ( 18.004 29.207 8.927) 35.453 1.856 ( 5.555 7.813 6.339) 11.492 2.346 ( -2.071 3.902 -2.511) 5.081 2.543 ( 8.092 7.627 1.184) 11.183 2.719 ( -1.553 -4.228 -0.152) 4.506 3.061 ( -3.389 -7.170 11.734) 14.162 3.326 ( 1.006 -5.869 -0.598) 5.984 3.612 ( -6.521 -3.302 1.107) 7.393 3.745 ( -2.062 3.083 -1.646) 4.058 4.851 ( -0.252 -3.656 -9.669) 10.340 4.929 ( 5.073 -0.842 -18.641) 19.338 4.966 ( -1.364 2.405 -7.107) 7.626 5.285 ( 3.584 5.883 -1.919) 7.151 7.422 ( -6.057 -6.932 10.390) 13.881 8.252 ( -2.026 -2.015 0.937) 3.007 8.298 ( 2.981 -3.214 1.482) 4.627 8.509 ( -1.033 -1.238 -1.264) 2.049 8.552 ( 1.477 2.383 1.691) 3.274 8.827 ( -0.680 4.590 -1.275) 4.812 13.773 ( -0.196 1.940 0.523) 2.019 13.864 ( 1.399 5.626 2.500) 6.314 16.612 ( -11.651 -8.895 19.042) 24.031 17.038 ( 3.177 5.333 -3.259) 7.011 17.740 ( -0.528 -0.934 0.391) 1.141 19.661 ( 5.867 -3.284 -23.473) 24.417 ======================= Grid point 122 (26/124) ======================= q-point: ( 0.20 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 8.720 10.368 12.129) 18.184 1.297 ( 9.629 18.842 2.772) 21.341 2.032 ( 6.529 7.357 5.534) 11.287 2.229 ( 15.072 18.541 0.753) 23.906 2.370 ( 0.898 4.066 -3.448) 5.406 2.663 ( 0.591 -0.131 1.823) 1.921 2.808 ( 12.458 5.836 1.867) 13.883 2.902 ( -5.961 -6.983 5.929) 10.929 3.278 ( -0.678 -4.116 3.226) 5.274 3.462 ( -7.001 -1.382 0.706) 7.170 3.755 ( 0.223 0.913 -1.862) 2.085 4.790 ( -1.990 -4.336 -9.152) 10.321 4.888 ( -4.538 -3.539 -13.058) 14.270 5.006 ( 2.556 0.082 -5.855) 6.390 5.430 ( 5.465 6.433 -1.974) 8.669 7.277 ( -4.637 -3.747 6.619) 8.908 8.156 ( -5.941 -0.883 1.310) 6.148 8.340 ( 6.254 -6.425 1.492) 9.090 8.467 ( -1.701 -1.781 -1.847) 3.079 8.610 ( 0.787 4.685 2.338) 5.294 8.850 ( -0.452 2.541 0.242) 2.592 13.768 ( -3.468 4.288 0.682) 5.557 14.006 ( 9.516 2.805 2.029) 10.126 16.309 ( -11.649 -10.175 16.689) 22.754 17.153 ( 0.362 11.063 -4.188) 11.834 17.718 ( -0.764 -0.940 0.125) 1.218 19.688 ( 3.646 -7.747 -18.550) 20.431 ======================= Grid point 123 (27/124) ======================= q-point: ( 0.30 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 9.101 6.784 12.941) 17.214 1.622 ( 7.016 16.083 -0.116) 17.547 2.172 ( 1.171 6.689 5.595) 8.799 2.403 ( 1.809 1.521 -3.117) 3.912 2.464 ( -0.843 3.095 -1.652) 3.608 2.682 ( -4.362 -2.780 -2.327) 5.672 2.844 ( 8.517 1.016 0.552) 8.596 3.128 ( 15.933 6.421 6.279) 18.290 3.230 ( -0.809 -2.221 3.365) 4.112 3.353 ( -4.828 0.361 2.291) 5.356 3.762 ( 0.136 -0.309 -1.356) 1.397 4.685 ( -5.126 -5.590 -11.774) 14.006 4.756 ( -5.780 -1.412 -6.878) 9.094 5.046 ( 2.350 -0.616 -5.472) 5.987 5.585 ( 4.730 5.571 -2.153) 7.619 7.182 ( -2.698 -2.400 5.382) 6.481 8.048 ( -5.156 -0.756 1.603) 5.452 8.374 ( 5.469 -7.683 1.476) 9.545 8.422 ( -1.248 -1.443 -2.545) 3.181 8.663 ( -1.108 5.852 2.290) 6.381 8.871 ( 0.715 1.345 1.294) 1.999 13.752 ( -3.084 4.139 1.228) 5.306 14.225 ( 12.917 0.085 1.505) 13.004 16.022 ( -9.600 -8.535 14.696) 19.519 17.263 ( -3.902 16.374 -5.206) 17.619 17.697 ( -0.689 -0.692 -0.145) 0.987 19.642 ( 2.720 -11.626 -14.826) 19.036 ======================= Grid point 124 (28/124) ======================= q-point: ( 0.40 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 4.670 1.886 16.118) 16.887 1.846 ( 1.854 12.006 -2.615) 12.427 2.216 ( -2.364 4.720 5.292) 7.475 2.439 ( -2.315 -0.779 -1.075) 2.669 2.440 ( 1.318 3.125 -2.112) 3.996 2.578 ( -3.565 -1.009 -1.198) 3.894 3.008 ( 8.416 -0.648 -1.383) 8.554 3.187 ( -1.153 -3.995 1.598) 4.454 3.278 ( -0.943 -1.879 1.851) 2.801 3.418 ( 5.601 4.203 4.184) 8.158 3.759 ( 0.680 -0.886 -0.229) 1.140 4.537 ( -4.288 -2.844 -10.636) 11.815 4.680 ( -3.706 1.937 -6.284) 7.548 5.073 ( 1.918 -1.515 -5.546) 6.061 5.686 ( 1.193 3.326 -2.369) 4.254 7.138 ( -0.242 -1.104 5.524) 5.638 7.976 ( -2.489 0.422 1.803) 3.103 8.362 ( 1.348 -5.269 -0.666) 5.479 8.414 ( 2.816 -3.813 -1.127) 4.873 8.684 ( -3.196 5.721 1.533) 6.730 8.901 ( 1.508 0.578 2.724) 3.167 13.746 ( -2.170 3.830 1.694) 4.717 14.411 ( 9.888 -5.440 1.473) 11.382 15.843 ( -2.642 -3.571 14.884) 15.533 17.336 ( -8.783 19.676 -5.635) 22.271 17.682 ( -0.328 -0.359 -0.383) 0.619 19.566 ( 3.680 -13.702 -14.300) 20.144 ======================= Grid point 125 (29/124) ======================= q-point: (-0.50 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -3.213 -2.993 16.669) 17.237 1.895 ( -8.379 6.936 -1.413) 10.968 2.184 ( -5.185 2.373 6.093) 8.345 2.421 ( 2.930 -1.423 -2.377) 4.033 2.515 ( 0.926 3.585 -0.137) 3.706 2.565 ( 1.732 4.021 -1.855) 4.755 3.084 ( -1.065 -8.665 2.856) 9.186 3.110 ( 1.328 -1.798 -2.893) 3.656 3.253 ( 0.289 -2.254 0.494) 2.326 3.379 ( -9.817 -1.155 3.131) 10.369 3.775 ( 1.626 -0.275 0.559) 1.741 4.538 ( 4.283 2.364 -10.294) 11.397 4.664 ( -1.177 3.602 -6.876) 7.850 5.079 ( 0.906 -2.227 -5.463) 5.969 5.684 ( -3.652 0.577 -2.448) 4.434 7.152 ( 2.385 -0.045 6.044) 6.497 7.976 ( 0.804 2.496 1.787) 3.174 8.336 ( 1.622 -4.958 -1.667) 5.477 8.426 ( 2.781 -3.434 -0.617) 4.462 8.670 ( -4.297 4.891 1.083) 6.600 8.927 ( 1.029 -0.185 3.645) 3.792 13.753 ( -1.564 3.884 2.021) 4.650 14.420 ( 0.653 -10.905 1.814) 11.075 15.888 ( 9.030 0.760 16.887) 19.165 17.345 ( -12.562 18.835 -5.146) 23.218 17.680 ( 0.323 -0.061 -0.517) 0.613 19.512 ( 5.130 -11.733 -16.855) 21.168 ======================= Grid point 126 (30/124) ======================= q-point: (-0.40 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -9.094 -5.096 14.822) 18.121 1.694 ( -17.875 1.007 2.837) 18.127 2.108 ( -6.193 2.016 4.024) 7.656 2.474 ( 2.029 -1.163 -1.625) 2.847 2.546 ( 0.715 0.348 -0.774) 1.110 2.645 ( -1.028 3.562 -3.730) 5.259 2.915 ( -13.903 -9.078 5.798) 17.588 2.962 ( -3.263 -7.681 -0.918) 8.396 3.207 ( -1.890 0.608 1.819) 2.693 3.342 ( 3.719 4.997 2.318) 6.646 3.799 ( 1.274 -0.777 0.528) 1.583 4.668 ( 5.805 2.143 -12.488) 13.937 4.719 ( 3.233 4.802 -7.715) 9.645 5.059 ( -0.463 -2.539 -5.390) 5.977 5.581 ( -7.292 -1.197 -2.320) 7.746 7.215 ( 4.467 0.240 6.545) 7.928 8.047 ( 2.938 4.548 1.531) 5.627 8.315 ( 2.014 -5.630 -1.542) 6.175 8.445 ( 2.426 -1.664 -0.732) 3.032 8.637 ( -4.406 3.844 1.244) 5.978 8.928 ( -0.127 -1.204 3.520) 3.722 13.768 ( -1.406 4.146 2.048) 4.833 14.252 ( -5.496 -11.601 2.350) 13.051 16.123 ( 15.934 -0.136 19.167) 24.925 17.279 ( -13.256 13.185 -4.127) 19.147 17.693 ( 0.973 0.295 -0.356) 1.077 19.516 ( 5.238 -5.438 -20.782) 22.111 ======================= Grid point 127 (31/124) ======================= q-point: (-0.30 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -12.427 -4.928 13.832) 19.237 1.337 ( -21.614 -2.029 4.815) 22.237 1.994 ( -8.725 0.728 4.094) 9.665 2.262 ( -27.904 -7.098 -0.857) 28.805 2.436 ( -2.723 -4.303 -0.903) 5.172 2.646 ( 2.122 2.214 -0.411) 3.095 2.701 ( -8.862 0.941 4.052) 9.790 2.940 ( 5.790 -2.371 4.598) 7.765 3.230 ( 2.196 3.069 0.528) 3.810 3.490 ( 7.425 2.660 2.562) 8.293 3.794 ( 0.001 -2.703 0.053) 2.704 4.767 ( 4.243 1.578 -10.222) 11.180 4.849 ( 4.412 4.720 -14.174) 15.577 5.016 ( -1.428 -2.439 -5.661) 6.327 5.427 ( -8.327 -1.233 -2.097) 8.675 7.306 ( 6.000 -0.327 7.504) 9.613 8.157 ( 3.312 5.762 1.214) 6.756 8.293 ( 1.732 -5.057 -0.430) 5.362 8.476 ( 2.288 -0.516 -1.116) 2.597 8.597 ( -3.845 2.431 1.664) 4.844 8.897 ( -1.482 -2.325 2.077) 3.452 13.783 ( -1.569 3.640 1.559) 4.260 14.034 ( -6.812 -8.987 2.521) 11.556 16.395 ( 16.424 -3.266 20.223) 26.256 17.161 ( -10.632 5.530 -3.338) 12.440 17.717 ( 1.270 0.358 0.088) 1.322 19.578 ( 3.485 2.179 -23.482) 23.839 ======================= Grid point 132 (32/124) ======================= q-point: ( 0.20 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 4.653 9.602 13.484) 17.195 1.685 ( 7.638 18.574 2.913) 20.294 2.167 ( 6.383 5.090 3.686) 8.958 2.438 ( -1.779 3.136 -2.306) 4.280 2.513 ( -0.272 5.368 -2.750) 6.037 2.686 ( 3.774 2.982 -1.055) 4.925 2.810 ( -4.782 -0.265 -0.178) 4.792 2.927 ( 11.983 6.242 6.448) 14.971 3.218 ( -0.368 -1.870 3.364) 3.867 3.406 ( -1.274 -2.864 1.514) 3.481 3.771 ( -1.444 0.253 -0.166) 1.476 4.696 ( -2.448 -5.243 -12.512) 13.785 4.796 ( -0.822 -4.233 -6.934) 8.165 5.017 ( -0.262 0.652 -5.936) 5.977 5.571 ( 4.239 7.081 -2.454) 8.610 7.205 ( -3.113 -3.393 6.193) 7.718 8.129 ( -2.615 -2.847 1.065) 4.010 8.230 ( 0.641 -3.347 0.899) 3.524 8.431 ( -1.510 -1.810 -2.049) 3.123 8.690 ( 3.131 3.327 2.141) 5.046 8.894 ( -1.297 1.631 2.063) 2.933 13.843 ( 0.865 2.154 0.804) 2.457 14.077 ( 1.603 4.917 3.204) 6.083 16.090 ( -9.489 -11.141 16.467) 22.030 17.431 ( 7.365 15.399 -5.016) 17.791 17.699 ( -0.351 -0.957 -0.066) 1.021 19.487 ( -1.579 -11.311 -17.746) 21.103 ======================= Grid point 133 (33/124) ======================= q-point: ( 0.30 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 4.610 4.466 15.274) 16.568 1.951 ( 2.872 15.208 -0.239) 15.479 2.269 ( 1.312 1.665 3.459) 4.057 2.428 ( -0.551 -2.125 -1.236) 2.519 2.536 ( -2.117 7.869 -1.345) 8.259 2.677 ( -6.044 3.797 -1.265) 7.249 2.846 ( 7.730 -0.659 -0.738) 7.793 3.142 ( 6.945 -5.520 1.827) 9.057 3.174 ( -0.445 -3.942 2.433) 4.654 3.429 ( 2.237 7.000 3.348) 8.075 3.742 ( -0.833 -1.886 0.215) 2.073 4.578 ( -4.143 -4.586 -10.929) 12.556 4.763 ( -2.029 2.289 -5.901) 6.647 5.018 ( 1.279 -2.244 -6.067) 6.594 5.697 ( 2.600 5.125 -2.936) 6.453 7.137 ( -1.429 -1.975 5.964) 6.443 8.044 ( -4.385 0.272 1.399) 4.611 8.225 ( 3.813 -6.699 1.292) 7.815 8.394 ( -0.760 -1.268 -2.714) 3.091 8.761 ( 0.473 4.042 2.342) 4.696 8.890 ( -0.109 0.417 2.117) 2.160 13.853 ( -3.433 5.458 1.475) 6.614 14.181 ( 8.278 -3.826 2.509) 9.458 15.864 ( -5.391 -6.833 14.854) 17.216 17.665 ( -0.678 7.350 -3.067) 7.993 17.719 ( -1.138 17.760 -4.279) 18.303 19.319 ( 1.483 -19.943 -13.831) 24.315 ======================= Grid point 134 (34/124) ======================= q-point: ( 0.40 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.357 -0.441 16.877) 16.886 2.085 ( -2.510 10.204 -3.149) 10.970 2.280 ( -2.136 1.181 5.995) 6.473 2.374 ( -0.042 -4.143 -2.060) 4.627 2.592 ( -4.103 8.194 -1.109) 9.231 2.635 ( -3.060 9.115 0.124) 9.615 2.990 ( 7.479 -1.251 0.261) 7.587 3.052 ( -2.531 -8.937 -0.232) 9.291 3.165 ( 3.740 -8.294 0.500) 9.112 3.507 ( -3.436 4.188 2.737) 6.070 3.727 ( 2.283 -2.303 1.221) 3.465 4.511 ( 0.252 -0.177 -9.707) 9.712 4.755 ( -3.493 5.104 -6.462) 8.945 5.019 ( 2.379 -3.672 -5.983) 7.412 5.747 ( -1.480 2.460 -3.206) 4.303 7.118 ( 0.838 -0.848 6.202) 6.315 8.005 ( -1.282 2.471 1.696) 3.260 8.219 ( 3.453 -7.093 0.880) 7.938 8.383 ( 0.651 -0.747 -2.721) 2.896 8.778 ( -2.899 3.743 1.804) 5.066 8.902 ( 1.329 -0.586 2.874) 3.220 13.850 ( -3.493 6.243 1.923) 7.407 14.243 ( 5.943 -9.768 2.256) 11.655 15.787 ( 2.039 -2.027 14.993) 15.266 17.673 ( 0.105 0.024 -0.578) 0.588 17.845 ( -14.999 27.527 -7.229) 32.171 19.198 ( 10.466 -21.569 -13.529) 27.528 ======================= Grid point 136 (35/124) ======================= q-point: (-0.50 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -5.780 -2.082 15.634) 16.797 2.004 ( -14.391 1.488 1.448) 14.540 2.228 ( -3.538 2.431 3.614) 5.611 2.412 ( 4.212 0.622 -3.318) 5.398 2.567 ( -3.257 2.432 -0.263) 4.074 2.710 ( -1.360 7.140 -0.356) 7.277 2.877 ( -2.429 -10.387 0.780) 10.696 3.050 ( -2.208 -2.606 -1.174) 3.612 3.177 ( 3.931 -1.784 2.079) 4.792 3.419 ( -6.946 2.447 2.877) 7.906 3.757 ( 2.481 -1.344 0.964) 2.982 4.579 ( 5.821 1.223 -10.839) 12.363 4.750 ( -1.661 3.855 -6.319) 7.586 5.024 ( 1.533 -2.589 -5.938) 6.657 5.696 ( -5.810 0.422 -2.987) 6.546 7.146 ( 2.971 -0.488 6.288) 6.972 8.048 ( 2.085 4.055 1.591) 4.830 8.209 ( 2.960 -5.620 0.433) 6.366 8.398 ( 1.764 -0.477 -2.327) 2.958 8.747 ( -4.168 2.590 1.734) 5.204 8.911 ( 0.598 -1.271 2.982) 3.296 13.856 ( -2.773 5.340 1.667) 6.244 14.189 ( -0.322 -9.633 2.759) 10.025 15.885 ( 10.114 -0.780 15.806) 18.781 17.678 ( -0.274 0.067 -0.905) 0.949 17.725 ( -20.279 13.086 -5.437) 24.739 19.275 ( 14.500 -8.004 -15.936) 22.985 ======================= Grid point 144 (36/124) ======================= q-point: ( 0.30 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.783 1.409 16.820) 16.897 2.191 ( 2.157 7.903 -1.756) 8.379 2.275 ( 1.501 0.106 3.301) 3.627 2.338 ( -1.952 -5.108 -1.279) 5.615 2.726 ( 6.716 8.208 -1.126) 10.665 2.830 ( -6.096 8.356 1.358) 10.432 2.843 ( 6.602 2.960 -0.579) 7.258 2.979 ( -0.936 -9.742 -0.516) 9.801 3.050 ( -5.077 -7.548 1.401) 9.204 3.565 ( 3.714 5.553 2.441) 7.113 3.686 ( -2.507 -3.412 1.538) 4.505 4.512 ( -1.104 -1.829 -9.502) 9.739 4.837 ( 2.678 4.185 -6.313) 8.034 4.956 ( -2.219 -3.532 -6.288) 7.546 5.774 ( 1.258 2.147 -3.657) 4.423 7.108 ( -0.582 -0.841 6.442) 6.523 8.056 ( 0.198 0.764 1.521) 1.713 8.121 ( -1.483 -3.198 1.354) 3.777 8.374 ( -0.366 -0.548 -2.920) 2.993 8.828 ( 1.934 2.528 2.238) 3.891 8.883 ( -1.150 -1.058 2.491) 2.941 13.956 ( 2.515 4.308 1.911) 5.342 14.095 ( -2.441 -3.980 2.509) 5.301 15.763 ( -1.818 -2.781 14.738) 15.107 17.671 ( -0.129 -0.206 -0.525) 0.578 18.235 ( 13.300 24.386 -8.806) 29.140 18.877 ( -11.548 -21.791 -12.069) 27.457 ======================= Grid point 218 (37/124) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 0.000 0.000 18.406) 18.406 0.711 ( 0.000 -0.000 18.406) 18.406 1.497 ( 0.000 -0.000 36.089) 36.089 1.853 ( 0.000 0.000 11.077) 11.077 2.281 ( 0.000 0.000 -1.563) 1.563 2.281 ( 0.000 -0.000 -1.563) 1.563 2.943 ( 0.000 0.000 0.017) 0.017 3.398 ( 0.000 0.000 -3.252) 3.252 3.398 ( 0.000 -0.000 -3.252) 3.252 3.714 ( 0.000 -0.000 -0.547) 0.547 3.714 ( 0.000 -0.000 -0.547) 0.547 4.315 ( 0.000 0.000 -2.682) 2.682 4.741 ( 0.000 0.000 -11.868) 11.868 4.741 ( 0.000 0.000 -11.868) 11.868 5.102 ( 0.000 -0.000 -3.531) 3.531 8.021 ( 0.000 -0.000 1.138) 1.138 8.343 ( 0.000 0.000 2.519) 2.519 8.343 ( 0.000 -0.000 2.519) 2.519 8.522 ( 0.000 -0.000 1.729) 1.729 8.522 ( 0.000 0.000 1.729) 1.729 8.529 ( 0.000 -0.000 -1.813) 1.813 13.788 ( 0.000 -0.000 2.284) 2.284 13.788 ( 0.000 -0.000 2.284) 2.284 16.841 ( 0.000 -0.000 -6.568) 6.568 16.841 ( 0.000 0.000 -6.568) 6.568 17.750 ( 0.000 0.000 -0.133) 0.133 19.466 ( 0.000 0.000 -2.391) 2.391 ======================= Grid point 219 (38/124) ======================= q-point: ( 0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 9.711 5.607 13.527) 17.570 0.900 ( 10.891 6.288 17.953) 21.919 1.648 ( 13.395 7.734 27.827) 31.836 1.917 ( 5.315 3.069 10.790) 12.413 2.249 ( -0.707 -0.408 -2.145) 2.295 2.418 ( 9.505 5.488 -0.124) 10.976 2.827 ( -6.888 -3.977 0.886) 8.002 3.391 ( 1.011 0.584 2.517) 2.775 3.448 ( 0.518 0.299 -1.193) 1.335 3.580 ( -11.608 -6.702 0.727) 13.423 3.668 ( -1.027 -0.593 -1.833) 2.183 4.455 ( 7.798 4.502 -13.488) 16.217 4.742 ( 1.517 0.876 -11.467) 11.600 4.743 ( -1.006 -0.581 -11.450) 11.509 5.148 ( 3.887 2.244 -3.526) 5.708 7.779 ( -13.558 -7.828 6.092) 16.799 8.322 ( -2.655 -1.533 2.832) 4.173 8.399 ( 3.148 1.818 2.044) 4.170 8.498 ( -0.871 -0.503 -2.214) 2.432 8.522 ( 0.633 0.365 1.432) 1.608 8.680 ( 6.990 4.036 -0.166) 8.073 13.767 ( -0.868 -0.501 2.148) 2.370 13.850 ( 4.260 2.460 3.099) 5.814 16.869 ( 1.778 1.027 -6.553) 6.867 16.899 ( 1.909 1.102 -0.034) 2.204 17.752 ( 0.000 0.000 -0.190) 0.190 19.373 ( -4.920 -2.841 -9.252) 10.858 ======================= Grid point 220 (39/124) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 12.865 7.428 7.152) 16.488 1.129 ( 9.462 5.463 17.662) 20.768 2.060 ( 19.420 11.212 13.087) 25.964 2.074 ( 7.113 4.107 9.704) 12.714 2.257 ( 1.899 1.096 -1.976) 2.952 2.683 ( 2.854 1.648 -0.288) 3.308 2.720 ( 7.677 4.432 3.260) 9.445 3.231 ( -13.756 -7.942 6.941) 17.334 3.416 ( -2.903 -1.676 1.902) 3.854 3.444 ( -0.147 -0.085 0.051) 0.177 3.673 ( 1.112 0.642 -3.629) 3.850 4.540 ( -0.421 -0.243 -18.856) 18.862 4.695 ( -2.990 -1.727 -11.121) 11.644 4.814 ( 3.795 2.191 -11.037) 11.875 5.273 ( 6.526 3.768 -3.516) 8.315 7.515 ( -8.915 -5.147 7.097) 12.504 8.235 ( -4.441 -2.564 2.883) 5.883 8.431 ( -1.006 -0.581 -1.952) 2.271 8.507 ( 2.124 1.226 1.437) 2.842 8.541 ( 0.868 0.501 1.301) 1.643 8.802 ( 3.880 2.240 1.142) 4.624 13.750 ( -0.545 -0.315 2.306) 2.391 13.988 ( 7.720 4.457 3.911) 9.734 16.823 ( -8.449 -4.878 14.330) 17.335 16.917 ( 2.259 1.304 -6.915) 7.391 17.740 ( -1.097 -0.634 0.243) 1.290 19.320 ( 0.206 0.119 -22.113) 22.114 ======================= Grid point 221 (40/124) ======================= q-point: ( 0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 11.608 6.702 13.888) 19.301 1.391 ( 11.843 6.838 2.529) 13.907 2.182 ( 2.209 1.276 3.832) 4.604 2.371 ( 7.075 4.085 3.784) 9.003 2.420 ( 8.133 4.696 6.906) 11.657 2.635 ( -0.480 -0.277 -2.651) 2.708 2.930 ( -7.123 -4.112 0.954) 8.280 3.092 ( 14.821 8.557 6.770) 18.404 3.336 ( -3.567 -2.060 3.116) 5.165 3.430 ( -1.284 -0.741 4.017) 4.282 3.704 ( 1.332 0.769 -3.415) 3.745 4.472 ( -4.916 -2.838 -18.071) 18.941 4.609 ( -4.288 -2.476 -11.049) 12.108 4.886 ( 2.276 1.314 -10.603) 10.924 5.433 ( 6.838 3.948 -3.554) 8.659 7.357 ( -4.889 -2.823 6.586) 8.675 8.128 ( -4.483 -2.588 2.993) 5.980 8.388 ( -2.233 -1.289 -3.635) 4.456 8.558 ( 1.799 1.038 2.457) 3.217 8.559 ( 0.598 0.345 1.084) 1.286 8.880 ( 3.048 1.760 2.948) 4.591 13.744 ( -0.016 -0.010 2.645) 2.645 14.206 ( 10.748 6.206 3.891) 13.007 16.561 ( -12.562 -7.253 20.952) 25.483 16.967 ( 1.869 1.079 -7.480) 7.785 17.709 ( -1.333 -0.770 -0.075) 1.541 19.339 ( 0.516 0.298 -25.818) 25.825 ======================= Grid point 222 (41/124) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 8.458 4.883 -0.533) 9.781 1.655 ( 12.123 6.999 13.479) 19.433 2.220 ( 1.511 0.872 1.935) 2.605 2.411 ( -5.118 -2.955 3.719) 6.983 2.506 ( 3.440 1.986 6.984) 8.035 2.584 ( -4.043 -2.334 -2.261) 5.187 2.944 ( 6.182 3.569 -1.755) 7.351 3.269 ( -1.927 -1.113 2.863) 3.626 3.384 ( -2.680 -1.547 4.888) 5.786 3.415 ( 10.523 6.075 4.337) 12.902 3.732 ( 1.118 0.645 -2.259) 2.602 4.339 ( -5.516 -3.185 -15.160) 16.444 4.508 ( -3.993 -2.305 -11.423) 12.318 4.925 ( 1.186 0.685 -10.482) 10.571 5.569 ( 4.369 2.523 -3.667) 6.237 7.281 ( -1.697 -0.980 6.556) 6.842 8.040 ( -2.910 -1.680 3.154) 4.608 8.338 ( -1.915 -1.106 -4.167) 4.718 8.569 ( 0.305 0.176 0.856) 0.926 8.582 ( 0.249 0.144 2.316) 2.334 8.948 ( 2.805 1.620 4.130) 5.248 13.749 ( 0.451 0.261 3.030) 3.074 14.455 ( 9.567 5.523 3.499) 11.588 16.307 ( -7.793 -4.499 22.508) 24.241 16.999 ( 0.822 0.475 -8.029) 8.085 17.683 ( -0.912 -0.527 -0.500) 1.166 19.320 ( -2.273 -1.312 -25.183) 25.319 ======================= Grid point 223 (42/124) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 2.171 1.253 -1.597) 2.972 1.858 ( 2.472 1.427 19.995) 20.198 2.255 ( 1.164 0.672 3.171) 3.445 2.325 ( 0.792 0.457 -5.141) 5.222 2.525 ( -0.883 -0.510 7.269) 7.340 2.527 ( -0.803 -0.464 -0.689) 1.155 3.062 ( 2.816 1.626 -2.545) 4.129 3.238 ( -1.414 -0.816 2.107) 2.666 3.315 ( -2.603 -1.503 3.995) 5.000 3.500 ( -3.929 -2.268 2.963) 5.418 3.759 ( 1.348 0.778 -1.124) 1.920 4.278 ( 1.014 0.586 -12.025) 12.082 4.442 ( -1.340 -0.774 -12.146) 12.244 4.942 ( 0.231 0.133 -10.730) 10.733 5.620 ( -0.158 -0.091 -3.754) 3.759 7.275 ( 1.102 0.636 6.766) 6.885 8.003 ( -0.141 -0.081 3.177) 3.182 8.304 ( -0.922 -0.532 -4.413) 4.540 8.573 ( 0.078 0.045 0.786) 0.791 8.574 ( -0.853 -0.493 2.252) 2.458 9.003 ( 1.753 1.012 4.587) 5.014 13.763 ( 0.703 0.406 3.363) 3.459 14.585 ( 0.550 0.318 3.220) 3.282 16.268 ( 5.353 3.090 24.086) 24.867 17.003 ( -0.493 -0.285 -8.387) 8.406 17.669 ( -0.230 -0.133 -0.756) 0.801 19.235 ( -4.923 -2.842 -25.845) 26.463 ======================= Grid point 225 (43/124) ======================= q-point: (-0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -5.851 -3.378 0.248) 6.761 1.748 ( -9.435 -5.447 18.340) 21.332 2.241 ( -2.688 -1.552 7.527) 8.142 2.437 ( 4.705 2.716 -5.407) 7.665 2.520 ( 0.733 0.423 3.016) 3.133 2.536 ( 1.253 0.723 0.354) 1.489 3.035 ( -4.240 -2.448 -2.200) 5.367 3.186 ( -2.724 -1.572 1.141) 3.346 3.259 ( -10.337 -5.968 1.763) 12.065 3.356 ( 2.253 1.301 8.267) 8.667 3.794 ( 1.479 0.854 -0.604) 1.811 4.349 ( 3.747 2.163 -13.379) 14.061 4.453 ( 2.156 1.245 -12.606) 12.849 4.933 ( -1.003 -0.579 -10.844) 10.906 5.562 ( -4.584 -2.647 -3.718) 6.468 7.328 ( 3.310 1.911 6.785) 7.787 8.032 ( 2.512 1.450 2.927) 4.121 8.296 ( 0.177 0.102 -4.193) 4.198 8.548 ( -1.214 -0.701 2.232) 2.636 8.574 ( -0.064 -0.037 0.975) 0.978 9.023 ( -0.121 -0.070 4.314) 4.316 13.780 ( 0.726 0.419 3.552) 3.649 14.483 ( -8.279 -4.780 3.290) 10.110 16.533 ( 15.673 9.049 26.854) 32.383 16.977 ( -1.647 -0.951 -8.439) 8.651 17.674 ( 0.706 0.407 -0.811) 1.150 19.106 ( -5.685 -3.282 -29.207) 29.935 ======================= Grid point 226 (44/124) ======================= q-point: (-0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -12.185 -7.035 15.760) 21.127 1.503 ( -12.080 -6.974 4.490) 14.653 2.152 ( -4.540 -2.621 9.271) 10.650 2.379 ( -11.173 -6.451 -2.131) 13.077 2.516 ( -1.986 -1.147 0.973) 2.492 2.545 ( -0.906 -0.523 -0.943) 1.408 2.940 ( -9.076 -5.240 8.290) 13.362 3.042 ( 1.652 0.954 1.920) 2.707 3.149 ( 0.326 0.188 -0.813) 0.896 3.507 ( 7.950 4.590 6.036) 10.986 3.818 ( 0.458 0.265 -0.581) 0.786 4.417 ( 1.875 1.082 -17.773) 17.905 4.528 ( 3.935 2.272 -12.637) 13.429 4.896 ( -2.127 -1.228 -10.743) 11.021 5.424 ( -6.833 -3.945 -3.610) 8.677 7.425 ( 5.057 2.920 6.735) 8.914 8.110 ( 3.941 2.275 2.517) 5.200 8.308 ( 0.766 0.442 -2.988) 3.116 8.523 ( -0.871 -0.503 1.721) 1.993 8.571 ( -0.202 -0.117 1.373) 1.393 8.993 ( -2.546 -1.470 3.168) 4.322 13.795 ( 0.543 0.313 3.501) 3.557 14.252 ( -10.782 -6.225 2.960) 12.797 16.897 ( 13.494 7.791 27.404) 31.524 16.931 ( -2.236 -1.291 -8.151) 8.550 17.704 ( 1.844 1.065 0.013) 2.130 19.004 ( -2.080 -1.201 -32.007) 32.098 ======================= Grid point 227 (45/124) ======================= q-point: (-0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -14.387 -8.306 9.576) 19.175 1.194 ( -13.279 -7.667 14.529) 21.123 2.004 ( -18.280 -10.554 11.813) 24.189 2.034 ( -5.562 -3.211 10.042) 11.920 2.434 ( -4.298 -2.482 0.142) 4.965 2.471 ( -6.044 -3.489 -2.012) 7.263 2.780 ( -1.728 -0.998 4.773) 5.173 3.197 ( 8.753 5.053 6.840) 12.204 3.204 ( 3.858 2.228 -2.552) 5.134 3.657 ( 3.759 2.170 3.250) 5.422 3.812 ( -1.046 -0.604 -0.637) 1.365 4.436 ( -0.242 -0.140 -19.952) 19.954 4.621 ( 3.787 2.187 -12.502) 13.245 4.840 ( -2.580 -1.489 -10.666) 11.075 5.266 ( -6.326 -3.652 -3.532) 8.114 7.570 ( 7.720 4.457 7.011) 11.341 8.205 ( 4.094 2.364 2.204) 5.216 8.327 ( 0.851 0.491 -0.477) 1.093 8.511 ( -0.188 -0.109 0.184) 0.284 8.563 ( -0.518 -0.299 1.778) 1.876 8.899 ( -5.819 -3.359 1.005) 6.794 13.804 ( 0.158 0.091 3.177) 3.182 14.012 ( -9.400 -5.427 2.310) 11.097 16.880 ( -1.987 -1.147 -7.594) 7.933 17.075 ( 1.002 0.579 15.895) 15.937 17.745 ( 1.201 0.693 0.846) 1.624 19.062 ( 7.695 4.443 -23.559) 25.179 ======================= Grid point 228 (46/124) ======================= q-point: (-0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -11.604 -6.700 15.256) 20.305 0.882 ( -12.743 -7.357 14.865) 20.917 1.635 ( -11.774 -6.798 28.451) 31.532 1.911 ( -4.476 -2.584 10.782) 11.957 2.322 ( -5.090 -2.939 -1.671) 6.111 2.343 ( -3.318 -1.915 -0.808) 3.915 2.842 ( 5.605 3.236 1.455) 6.633 3.304 ( 4.433 2.559 -3.362) 6.124 3.398 ( 6.974 4.026 7.370) 10.916 3.662 ( -1.874 -1.082 -3.474) 4.093 3.772 ( -2.236 -1.291 -0.542) 2.638 4.395 ( -3.521 -2.033 -12.819) 13.448 4.697 ( 2.673 1.543 -12.245) 12.628 4.782 ( -2.269 -1.310 -11.098) 11.403 5.147 ( -3.718 -2.147 -3.521) 5.553 7.800 ( 12.105 6.989 5.976) 15.202 8.292 ( 3.214 1.856 2.183) 4.306 8.349 ( 0.968 0.559 2.181) 2.450 8.510 ( 0.057 0.033 -1.602) 1.603 8.545 ( -0.983 -0.567 1.950) 2.256 8.713 ( -10.138 -5.853 -0.817) 11.734 13.801 ( -0.362 -0.209 2.693) 2.725 13.837 ( -5.173 -2.986 2.066) 6.320 16.845 ( -0.918 -0.530 -6.976) 7.056 16.970 ( -8.075 -4.662 -0.818) 9.361 17.753 ( -0.179 -0.103 -0.202) 0.289 19.314 ( 11.465 6.619 -7.882) 15.407 ======================= Grid point 230 (47/124) ======================= q-point: ( 0.10 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 5.557 17.462 9.139) 20.477 1.084 ( 5.033 11.313 16.799) 20.869 1.901 ( 11.198 15.087 15.954) 24.648 2.030 ( 6.455 8.480 11.165) 15.435 2.296 ( -3.552 4.466 -2.036) 6.058 2.549 ( 11.157 6.671 0.333) 13.003 2.750 ( -3.615 -1.914 2.220) 4.654 3.235 ( -3.333 -12.457 3.412) 13.339 3.334 ( 3.733 -4.553 3.100) 6.654 3.644 ( -8.937 -0.778 1.943) 9.179 3.695 ( -3.234 5.822 -3.577) 7.560 4.491 ( 4.472 -0.955 -18.429) 18.988 4.683 ( 1.907 -3.376 -12.169) 12.771 4.801 ( -0.384 2.803 -10.579) 10.951 5.231 ( 3.616 5.822 -3.531) 7.710 7.597 ( -7.261 -8.567 7.107) 13.290 8.283 ( -1.397 -2.652 2.170) 3.700 8.329 ( 3.394 -4.368 1.417) 5.710 8.479 ( -2.058 -1.090 -1.565) 2.806 8.590 ( 2.071 3.033 2.125) 4.243 8.816 ( 0.043 7.520 0.253) 7.524 13.798 ( -1.450 2.345 1.992) 3.402 13.927 ( 3.043 5.867 3.711) 7.580 16.847 ( -1.965 -1.707 -0.536) 2.658 17.014 ( -3.599 6.601 4.099) 8.564 17.748 ( -0.627 -0.606 0.306) 0.924 19.218 ( 4.165 -10.424 -18.938) 22.015 ======================= Grid point 231 (48/124) ======================= q-point: ( 0.20 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 6.816 9.884 15.372) 19.505 1.369 ( 6.365 17.857 4.398) 19.461 2.170 ( 7.468 5.952 8.144) 12.551 2.293 ( 1.190 6.046 0.770) 6.210 2.342 ( 10.193 10.598 5.557) 15.719 2.658 ( -1.953 -0.776 -0.348) 2.131 2.862 ( 11.487 3.717 1.616) 12.181 3.020 ( -4.310 -7.159 5.929) 10.246 3.353 ( 1.642 -3.266 3.958) 5.387 3.487 ( -7.103 0.118 1.859) 7.343 3.713 ( -0.568 2.955 -2.386) 3.840 4.485 ( -1.115 -4.416 -18.241) 18.801 4.657 ( -2.266 -2.134 -12.131) 12.524 4.842 ( 2.633 0.704 -10.527) 10.874 5.375 ( 5.470 6.146 -3.607) 8.983 7.416 ( -5.762 -4.381 6.807) 9.936 8.194 ( -5.143 -1.599 2.375) 5.886 8.362 ( 5.126 -5.978 0.247) 7.879 8.429 ( -1.341 -2.678 -1.491) 3.346 8.660 ( 0.767 5.180 2.468) 5.789 8.873 ( 0.229 4.067 2.000) 4.537 13.795 ( -2.609 3.958 2.047) 5.164 14.074 ( 8.272 4.074 4.613) 10.311 16.676 ( -10.136 -8.646 17.261) 21.804 17.051 ( -2.121 10.493 -5.081) 11.850 17.722 ( -1.142 -1.141 0.208) 1.628 19.229 ( 6.320 -8.226 -25.808) 27.815 ======================= Grid point 232 (49/124) ======================= q-point: ( 0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 9.696 8.688 12.657) 18.157 1.636 ( 4.310 15.670 1.764) 16.347 2.270 ( -1.553 6.888 2.551) 7.508 2.393 ( 4.580 -0.839 3.828) 6.027 2.508 ( -0.167 3.085 6.504) 7.200 2.627 ( -3.111 -1.103 -2.694) 4.260 2.848 ( 4.440 -1.996 -0.378) 4.882 3.235 ( 14.103 3.359 4.211) 15.097 3.311 ( -2.573 -1.967 4.520) 5.561 3.412 ( -2.059 0.830 3.659) 4.280 3.732 ( 0.168 1.644 -1.624) 2.317 4.389 ( -4.181 -4.518 -16.521) 17.631 4.576 ( -4.680 -0.695 -11.546) 12.478 4.887 ( 2.582 -0.992 -10.498) 10.856 5.526 ( 4.774 4.992 -3.819) 7.893 7.308 ( -3.045 -2.061 6.667) 7.614 8.092 ( -4.600 -1.087 2.771) 5.479 8.357 ( -1.480 -1.730 -3.916) 4.529 8.405 ( 4.991 -7.717 1.695) 9.346 8.709 ( -1.947 6.330 2.280) 7.004 8.920 ( 1.889 1.939 3.444) 4.380 13.791 ( -2.471 4.233 2.674) 5.583 14.283 ( 11.842 1.046 4.285) 12.636 16.401 ( -9.836 -8.176 21.952) 25.407 17.125 ( -4.174 14.411 -8.443) 17.216 17.692 ( -0.978 -0.880 -0.331) 1.357 19.234 ( 4.513 -10.378 -25.284) 27.701 ======================= Grid point 233 (50/124) ======================= q-point: ( 0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 9.124 5.518 14.542) 18.032 1.806 ( -0.396 9.992 0.564) 10.016 2.293 ( -2.541 2.721 2.535) 4.504 2.375 ( -2.546 3.905 -1.935) 5.047 2.524 ( -0.340 -0.962 8.136) 8.200 2.555 ( -2.870 0.421 -0.683) 2.980 2.978 ( 7.782 0.230 -1.710) 7.971 3.237 ( -2.216 -3.704 3.442) 5.521 3.317 ( 0.217 -5.619 1.585) 5.843 3.496 ( 3.043 3.267 3.762) 5.838 3.755 ( 0.993 1.181 -0.230) 1.560 4.286 ( -2.470 -1.704 -13.727) 14.051 4.501 ( -4.198 1.769 -11.682) 12.538 4.912 ( 1.980 -1.915 -10.682) 11.031 5.622 ( 1.414 2.606 -4.050) 5.019 7.267 ( -0.210 -0.502 6.884) 6.906 8.025 ( -2.256 0.274 3.058) 3.810 8.312 ( -1.307 -1.662 -4.034) 4.555 8.417 ( 4.987 -7.535 1.208) 9.116 8.719 ( -3.949 6.157 2.023) 7.589 8.973 ( 2.433 0.712 4.281) 4.975 13.795 ( -1.828 4.055 3.195) 5.477 14.462 ( 9.269 -4.677 3.742) 11.036 16.230 ( -1.626 -3.214 23.099) 23.378 17.185 ( -7.710 17.639 -9.486) 21.461 17.672 ( -0.509 -0.502 -0.665) 0.976 19.176 ( 2.433 -12.748 -24.359) 27.601 ======================= Grid point 234 (51/124) ======================= q-point: (-0.50 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -5.913 -2.684 11.082) 12.844 1.901 ( -4.209 6.417 7.596) 10.797 2.300 ( 1.152 3.259 0.399) 3.480 2.372 ( -3.208 0.420 1.478) 3.557 2.527 ( 0.903 1.585 1.773) 2.544 2.546 ( 0.751 4.320 1.348) 4.587 3.047 ( -0.545 -3.736 -2.982) 4.811 3.156 ( -0.490 -6.787 3.390) 7.602 3.270 ( 1.121 -3.464 1.246) 3.848 3.457 ( -7.369 0.264 4.730) 8.761 3.784 ( 0.962 0.948 0.216) 1.367 4.299 ( 3.334 1.213 -12.931) 13.409 4.476 ( -1.659 3.936 -11.996) 12.734 4.917 ( 1.048 -2.491 -10.861) 11.192 5.619 ( -3.230 0.007 -4.071) 5.197 7.287 ( 2.402 0.346 6.995) 7.404 8.025 ( 0.686 2.306 3.017) 3.858 8.283 ( 0.125 -1.916 -3.737) 4.201 8.427 ( 4.194 -6.302 0.846) 7.617 8.702 ( -4.624 5.490 2.010) 7.454 9.009 ( 1.293 -0.558 4.380) 4.601 13.807 ( -1.385 3.851 3.436) 5.344 14.474 ( 0.546 -9.979 3.661) 10.644 16.303 ( 11.269 -0.083 23.852) 26.380 17.207 ( -10.683 18.478 -8.430) 22.948 17.666 ( 0.312 -0.096 -0.839) 0.900 19.078 ( 1.057 -11.574 -26.168) 28.633 ======================= Grid point 235 (52/124) ======================= q-point: (-0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -10.134 -6.097 12.973) 17.555 1.765 ( -15.477 2.457 5.546) 16.623 2.240 ( -6.657 0.225 8.626) 10.898 2.405 ( 2.303 -1.719 -3.857) 4.810 2.548 ( -0.398 0.109 1.644) 1.695 2.603 ( -2.872 4.994 -0.298) 5.768 2.953 ( 0.342 -7.232 -0.475) 7.256 3.018 ( -6.602 -6.777 3.765) 10.183 3.253 ( -4.416 2.290 2.797) 5.707 3.422 ( 4.233 3.359 5.721) 7.869 3.804 ( 0.708 -0.521 -0.037) 0.879 4.376 ( 3.670 0.884 -15.910) 16.351 4.523 ( 1.408 4.974 -12.261) 13.306 4.897 ( -0.311 -2.709 -10.782) 11.122 5.519 ( -6.864 -1.458 -3.863) 8.010 7.352 ( 4.617 0.318 6.845) 8.263 8.089 ( 2.641 4.276 2.660) 5.686 8.276 ( 1.491 -2.345 -2.684) 3.863 8.439 ( 3.408 -4.452 0.366) 5.618 8.672 ( -4.526 4.605 2.159) 6.809 9.002 ( -0.661 -2.114 3.736) 4.343 13.821 ( -1.308 3.425 3.296) 4.930 14.313 ( -5.887 -10.516 3.814) 12.641 16.555 ( 17.224 -3.340 21.880) 28.046 17.184 ( -10.619 14.067 -3.948) 18.062 17.684 ( 1.396 0.640 -0.548) 1.631 19.005 ( 0.600 -4.310 -29.774) 30.090 ======================= Grid point 236 (53/124) ======================= q-point: (-0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -11.916 -5.213 14.410) 19.412 1.451 ( -19.168 -2.965 6.558) 20.474 2.118 ( -7.883 -0.470 8.252) 11.422 2.293 ( -15.589 0.006 3.655) 16.011 2.417 ( -4.863 -7.238 0.653) 8.744 2.614 ( -2.795 5.222 -0.601) 5.954 2.819 ( -6.646 -4.369 4.540) 9.158 3.025 ( 9.300 -0.596 3.991) 10.138 3.250 ( -0.344 6.292 1.292) 6.432 3.561 ( 7.544 0.013 4.517) 8.793 3.785 ( -0.666 -3.889 -0.950) 4.059 4.444 ( 2.373 2.130 -18.766) 19.035 4.606 ( 2.169 4.660 -12.711) 13.711 4.854 ( -1.507 -2.398 -10.539) 10.913 5.370 ( -8.081 -1.250 -3.633) 8.948 7.453 ( 7.032 -0.379 6.837) 9.815 8.191 ( 3.092 5.500 2.260) 6.702 8.286 ( 2.283 -2.231 -0.687) 3.265 8.457 ( 2.696 -2.562 -0.558) 3.761 8.637 ( -4.050 3.204 2.299) 5.653 8.940 ( -3.167 -3.676 2.243) 5.346 13.825 ( -1.435 1.769 2.700) 3.532 14.096 ( -7.807 -7.268 3.777) 11.315 16.768 ( 11.302 -5.417 11.618) 17.090 17.122 ( -6.363 2.854 3.109) 7.635 17.722 ( 1.918 0.521 0.544) 2.060 19.041 ( 2.827 6.416 -28.794) 29.635 ======================= Grid point 241 (54/124) ======================= q-point: ( 0.20 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 4.393 10.999 14.152) 18.454 1.749 ( 4.943 18.290 3.195) 19.213 2.267 ( 6.156 3.095 6.245) 9.299 2.390 ( -0.761 3.240 -2.006) 3.886 2.527 ( 1.406 4.943 4.943) 7.131 2.672 ( 1.370 2.380 -0.075) 2.748 2.800 ( -4.041 -1.718 -0.939) 4.491 3.039 ( 9.180 2.017 4.302) 10.337 3.300 ( 1.172 -1.799 4.633) 5.106 3.455 ( -1.650 -1.692 3.563) 4.275 3.766 ( -1.910 1.829 -0.298) 2.661 4.393 ( -1.696 -4.246 -17.003) 17.607 4.607 ( 0.707 -2.540 -12.071) 12.356 4.853 ( -0.377 0.397 -10.562) 10.576 5.506 ( 3.981 6.515 -3.993) 8.616 7.340 ( -3.447 -3.246 6.868) 8.342 8.160 ( -2.891 -2.352 2.066) 4.261 8.248 ( 2.451 -4.115 0.628) 4.831 8.384 ( -2.863 -2.030 -2.195) 4.139 8.740 ( 3.716 3.114 2.781) 5.589 8.945 ( -1.734 2.839 3.024) 4.496 13.871 ( 0.562 2.900 2.140) 3.648 14.162 ( 1.736 4.908 5.217) 7.370 16.481 ( -10.330 -10.412 21.143) 25.733 17.306 ( 3.984 13.929 -6.855) 16.027 17.696 ( -0.512 -1.346 -0.194) 1.454 19.033 ( 3.139 -10.136 -26.939) 28.954 ======================= Grid point 242 (55/124) ======================= q-point: ( 0.30 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 6.450 7.527 15.028) 18.003 1.953 ( -0.935 14.117 0.704) 14.166 2.315 ( -0.034 -3.547 1.434) 3.826 2.436 ( 2.259 3.642 1.279) 4.472 2.560 ( -1.512 4.969 5.492) 7.559 2.659 ( -5.933 5.640 -0.391) 8.195 2.832 ( 6.985 -0.475 -0.620) 7.029 3.170 ( 6.954 -7.739 0.220) 10.407 3.237 ( -2.928 -5.476 4.631) 7.746 3.506 ( 2.818 6.474 4.162) 8.196 3.751 ( -0.665 -0.136 0.681) 0.961 4.313 ( -2.804 -2.885 -15.107) 15.634 4.590 ( -2.197 2.257 -11.487) 11.911 4.850 ( 1.410 -2.666 -10.771) 11.185 5.622 ( 2.537 4.238 -4.550) 6.716 7.273 ( -1.499 -1.362 7.185) 7.465 8.084 ( -3.785 0.239 2.522) 4.554 8.258 ( 3.971 -6.408 1.949) 7.787 8.324 ( -1.516 -1.628 -4.122) 4.684 8.814 ( 0.065 4.216 2.814) 5.069 8.949 ( 0.375 0.751 3.610) 3.706 13.896 ( -2.653 5.798 2.827) 6.975 14.253 ( 7.157 -3.533 4.731) 9.278 16.248 ( -5.635 -6.653 22.880) 24.485 17.511 ( -2.280 22.099 -10.937) 24.763 17.680 ( -0.667 0.262 -0.957) 1.196 18.944 ( 3.356 -17.796 -23.289) 29.501 ======================= Grid point 243 (56/124) ======================= q-point: ( 0.40 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.355 -0.257 19.030) 19.035 2.026 ( -1.999 10.023 -2.228) 10.461 2.284 ( 0.528 -1.546 -3.078) 3.485 2.482 ( -2.221 -2.432 11.066) 11.545 2.568 ( -3.482 8.814 -1.284) 9.563 2.635 ( -4.232 10.020 0.016) 10.878 2.961 ( 6.888 -2.246 -2.316) 7.607 3.104 ( -3.402 -8.999 4.126) 10.468 3.171 ( 4.432 -7.218 0.646) 8.495 3.568 ( -3.382 3.580 3.248) 5.900 3.757 ( 2.169 -1.188 1.740) 3.024 4.271 ( 0.459 -0.006 -13.760) 13.767 4.576 ( -3.765 5.239 -11.456) 13.147 4.851 ( 2.559 -4.020 -10.966) 11.956 5.666 ( -1.042 1.660 -4.844) 5.226 7.259 ( 0.702 -0.350 7.418) 7.460 8.052 ( -1.106 2.359 2.909) 3.905 8.240 ( 1.433 -5.649 0.685) 5.868 8.316 ( 2.292 -1.959 -3.301) 4.470 8.824 ( -3.459 4.265 2.641) 6.094 8.972 ( 1.890 -0.903 4.003) 4.518 13.903 ( -3.441 6.437 3.416) 8.059 14.307 ( 5.785 -9.412 4.124) 11.792 16.175 ( 2.617 -2.169 23.323) 23.569 17.634 ( -7.348 18.128 -8.867) 21.476 17.673 ( -5.108 6.929 -4.266) 9.607 18.837 ( 7.724 -19.572 -22.274) 30.641 ======================= Grid point 245 (57/124) ======================= q-point: (-0.50 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -8.699 -2.811 15.360) 17.875 2.030 ( -9.868 2.873 2.342) 10.541 2.298 ( 1.902 -2.312 -1.373) 3.293 2.393 ( -3.261 3.228 6.076) 7.614 2.570 ( -2.369 2.389 1.167) 3.561 2.699 ( -1.894 7.054 -0.315) 7.310 2.890 ( -3.600 -10.867 0.485) 11.458 3.044 ( 0.620 -0.684 -0.166) 0.938 3.234 ( 5.690 -0.171 3.941) 6.924 3.492 ( -6.587 1.999 4.246) 8.088 3.778 ( 1.387 -1.457 1.125) 2.305 4.318 ( 3.636 0.473 -14.881) 15.326 4.572 ( -1.770 4.354 -11.526) 12.447 4.856 ( 1.788 -2.833 -10.906) 11.409 5.620 ( -5.045 0.084 -4.561) 6.801 7.286 ( 2.689 -0.435 7.250) 7.744 8.092 ( 1.863 3.682 2.756) 4.962 8.217 ( 1.642 -3.521 -0.103) 3.886 8.346 ( 3.170 -1.962 -2.385) 4.426 8.792 ( -4.376 3.342 2.705) 6.135 8.980 ( 0.533 -2.102 3.784) 4.361 13.903 ( -3.172 4.540 3.071) 6.333 14.262 ( 0.005 -8.660 4.563) 9.788 16.282 ( 10.842 -1.628 23.015) 25.493 17.561 ( -17.481 10.387 -9.540) 22.461 17.670 ( 0.642 1.140 -0.939) 1.610 18.863 ( 10.021 -5.964 -24.925) 27.518 ======================= Grid point 253 (58/124) ======================= q-point: ( 0.30 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 1.533 2.878 18.765) 19.046 2.145 ( 0.849 4.605 -1.854) 5.036 2.242 ( -0.989 -2.927 -3.433) 4.619 2.463 ( 1.307 0.786 10.889) 10.995 2.693 ( 4.706 6.543 -1.844) 8.268 2.813 ( 3.436 1.672 -2.038) 4.331 2.863 ( -4.791 9.075 1.252) 10.338 2.991 ( 2.999 -8.374 0.602) 8.916 3.094 ( -5.488 -7.961 4.111) 10.507 3.622 ( 3.436 4.594 3.117) 6.529 3.724 ( -2.260 -2.390 2.150) 3.929 4.272 ( -0.790 -1.156 -14.035) 14.105 4.661 ( 2.713 4.126 -11.288) 12.321 4.783 ( -2.316 -3.673 -11.087) 11.907 5.684 ( 1.002 1.693 -5.270) 5.625 7.254 ( -0.473 -0.581 7.656) 7.693 8.098 ( 0.068 0.957 2.725) 2.889 8.159 ( -0.897 -3.010 2.390) 3.947 8.297 ( -0.738 -0.846 -4.696) 4.829 8.883 ( 2.235 2.645 3.160) 4.688 8.945 ( -1.418 -1.065 3.576) 3.992 14.010 ( 2.833 4.987 3.434) 6.685 14.163 ( -2.778 -4.590 4.298) 6.875 16.148 ( -1.967 -2.834 23.312) 23.566 17.657 ( -0.133 -0.110 -0.882) 0.899 17.999 ( 10.924 21.418 -14.748) 28.206 18.554 ( -9.029 -18.928 -20.036) 29.004 ======================= Grid point 327 (59/124) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.000 0.000 19.086) 19.086 1.077 ( 0.000 0.000 19.086) 19.086 2.080 ( 0.000 0.000 11.538) 11.538 2.163 ( 0.000 -0.000 31.636) 31.636 2.256 ( 0.000 -0.000 -1.126) 1.126 2.256 ( 0.000 0.000 -1.126) 1.126 2.948 ( 0.000 0.000 0.694) 0.694 3.324 ( 0.000 0.000 -4.197) 4.197 3.324 ( 0.000 -0.000 -4.197) 4.197 3.702 ( 0.000 0.000 -0.670) 0.670 3.702 ( 0.000 -0.000 -0.670) 0.670 4.234 ( 0.000 0.000 -5.807) 5.807 4.477 ( -0.000 0.000 -14.618) 14.618 4.477 ( 0.000 0.000 -14.618) 14.618 5.024 ( 0.000 -0.000 -4.233) 4.233 8.052 ( 0.000 -0.000 2.050) 2.050 8.400 ( 0.000 -0.000 3.088) 3.088 8.400 ( 0.000 0.000 3.088) 3.088 8.484 ( 0.000 -0.000 -2.842) 2.842 8.553 ( 0.000 -0.000 1.303) 1.303 8.553 ( 0.000 0.000 1.303) 1.303 13.838 ( 0.000 -0.000 2.717) 2.717 13.838 ( 0.000 0.000 2.717) 2.717 16.701 ( 0.000 0.000 -7.365) 7.365 16.701 ( -0.000 0.000 -7.365) 7.365 17.748 ( 0.000 0.000 -0.017) 0.017 19.415 ( 0.000 0.000 -2.677) 2.677 ======================= Grid point 328 (60/124) ======================= q-point: ( 0.10 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 4.759 2.747 16.132) 17.042 1.259 ( 11.557 6.672 18.776) 23.035 2.140 ( 4.772 2.755 11.252) 12.528 2.172 ( 2.552 1.474 23.238) 23.424 2.222 ( -0.587 -0.339 -0.679) 0.959 2.434 ( 11.592 6.693 3.220) 13.767 2.843 ( -6.494 -3.749 0.733) 7.535 3.358 ( 3.515 2.029 -3.419) 5.307 3.396 ( 2.525 1.458 -4.009) 4.957 3.612 ( -9.227 -5.327 1.088) 10.710 3.647 ( -2.173 -1.254 -0.313) 2.528 4.239 ( 0.257 0.148 -9.935) 9.939 4.484 ( -0.731 -0.422 -14.468) 14.493 4.495 ( 2.761 1.594 -13.135) 13.517 5.070 ( 3.855 2.226 -4.273) 6.170 7.871 ( -11.299 -6.523 3.916) 13.622 8.381 ( -2.675 -1.544 3.115) 4.386 8.425 ( -0.747 -0.431 -0.743) 1.139 8.464 ( 2.260 1.305 0.094) 2.611 8.549 ( 0.604 0.349 1.238) 1.421 8.693 ( 7.215 4.165 1.114) 8.405 13.818 ( -0.734 -0.424 2.884) 3.006 13.913 ( 5.214 3.010 3.168) 6.803 16.727 ( 1.522 0.879 -7.573) 7.774 16.825 ( 9.164 5.291 -6.150) 12.239 17.747 ( -0.078 -0.045 -0.220) 0.237 19.253 ( -11.970 -6.911 -3.895) 14.360 ======================= Grid point 329 (61/124) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 8.197 4.733 10.823) 14.378 1.501 ( 8.180 4.723 20.018) 22.135 2.199 ( 0.307 0.177 0.909) 0.976 2.317 ( 8.364 4.829 9.618) 13.630 2.317 ( 9.780 5.646 12.277) 16.681 2.708 ( -3.468 -2.002 1.884) 4.426 2.760 ( 13.822 7.980 1.384) 16.020 3.280 ( -11.569 -6.680 -0.447) 13.367 3.427 ( -0.209 -0.121 -1.425) 1.445 3.486 ( 1.139 0.658 3.102) 3.369 3.614 ( -0.330 -0.190 -1.719) 1.760 4.221 ( -1.912 -1.104 -13.758) 13.934 4.442 ( -2.802 -1.618 -14.224) 14.587 4.579 ( 3.720 2.147 -12.541) 13.257 5.194 ( 6.495 3.750 -4.352) 8.671 7.630 ( -8.795 -5.078 4.889) 11.272 8.295 ( -4.397 -2.539 3.022) 5.909 8.375 ( -2.642 -1.526 -3.382) 4.555 8.541 ( 3.242 1.872 1.888) 4.193 8.567 ( 0.731 0.422 1.232) 1.493 8.839 ( 5.291 3.055 2.294) 6.526 13.806 ( -0.256 -0.148 3.248) 3.262 14.072 ( 8.404 4.852 4.342) 10.631 16.767 ( 1.771 1.022 -8.116) 8.369 16.994 ( 2.987 1.725 3.200) 4.705 17.740 ( -0.758 -0.438 -0.191) 0.896 18.974 ( -9.761 -5.636 -12.556) 16.873 ======================= Grid point 330 (62/124) ======================= q-point: ( 0.30 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 8.460 4.884 6.045) 11.488 1.667 ( 7.279 4.202 16.559) 18.570 2.212 ( 0.827 0.477 0.504) 1.079 2.525 ( 8.809 5.086 10.094) 14.330 2.558 ( 7.964 4.598 4.121) 10.078 2.621 ( -2.657 -1.534 3.049) 4.326 2.911 ( -6.302 -3.639 -2.681) 7.755 3.210 ( 11.296 6.522 4.861) 13.920 3.388 ( -2.727 -1.574 1.719) 3.587 3.506 ( -0.033 -0.019 3.599) 3.600 3.634 ( 1.676 0.968 -3.371) 3.887 4.156 ( -3.422 -1.976 -13.439) 14.008 4.357 ( -4.374 -2.525 -14.131) 15.006 4.650 ( 2.295 1.325 -12.914) 13.183 5.353 ( 6.778 3.914 -4.414) 8.986 7.471 ( -4.957 -2.862 4.956) 7.571 8.191 ( -4.322 -2.495 3.176) 5.915 8.311 ( -2.803 -1.618 -4.094) 5.219 8.579 ( 0.361 0.208 0.978) 1.063 8.603 ( 1.970 1.137 2.155) 3.134 8.946 ( 4.061 2.344 3.541) 5.876 13.806 ( 0.293 0.169 3.629) 3.645 14.298 ( 10.767 6.216 5.110) 13.442 16.804 ( 1.350 0.779 -8.759) 8.897 16.931 ( -7.406 -4.276 15.513) 17.714 17.708 ( -1.763 -1.018 -0.029) 2.036 18.842 ( -2.317 -1.338 -23.149) 23.303 ======================= Grid point 331 (63/124) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 6.631 3.828 2.868) 8.176 1.874 ( 10.739 6.200 9.820) 15.818 2.238 ( 1.443 0.833 0.436) 1.722 2.544 ( -8.497 -4.906 8.178) 12.773 2.548 ( -2.606 -1.505 -1.369) 3.306 2.690 ( 4.595 2.653 10.818) 12.049 2.910 ( 5.891 3.401 -1.647) 6.999 3.325 ( -2.206 -1.274 2.577) 3.624 3.416 ( 0.547 0.316 -1.295) 1.441 3.527 ( 4.803 2.773 6.433) 8.494 3.679 ( 2.064 1.192 -3.028) 3.853 4.084 ( -2.145 -1.239 -10.013) 10.315 4.250 ( -4.498 -2.597 -14.453) 15.358 4.687 ( 0.974 0.562 -13.267) 13.314 5.487 ( 4.296 2.480 -4.472) 6.679 7.396 ( -1.607 -0.928 4.922) 5.260 8.105 ( -2.783 -1.607 3.397) 4.676 8.251 ( -2.217 -1.280 -4.504) 5.180 8.585 ( 0.139 0.080 0.698) 0.716 8.630 ( 0.430 0.248 2.559) 2.607 9.031 ( 3.172 1.831 4.034) 5.448 13.818 ( 0.695 0.401 3.894) 3.976 14.542 ( 9.182 5.301 5.068) 11.752 16.744 ( -6.312 -3.644 20.724) 21.969 16.826 ( 0.448 0.259 -9.269) 9.284 17.672 ( -1.207 -0.697 -0.529) 1.491 18.803 ( -2.261 -1.305 -26.079) 26.209 ======================= Grid point 332 (64/124) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 2.495 1.440 1.984) 3.498 2.151 ( 12.262 7.079 6.431) 15.551 2.281 ( 2.224 1.284 -0.019) 2.568 2.304 ( -10.829 -6.252 6.065) 13.898 2.526 ( 0.294 0.170 0.549) 0.645 2.720 ( -1.682 -0.971 11.652) 11.813 3.013 ( 1.650 0.952 -2.357) 3.030 3.285 ( -1.791 -1.034 2.567) 3.297 3.348 ( -3.438 -1.985 -0.552) 4.008 3.583 ( -1.646 -0.950 5.590) 5.904 3.727 ( 2.036 1.176 -2.216) 3.231 4.082 ( 1.703 0.983 -7.494) 7.748 4.171 ( -1.842 -1.063 -15.080) 15.230 4.698 ( 0.048 0.028 -13.567) 13.568 5.537 ( -0.158 -0.091 -4.487) 4.490 7.391 ( 1.076 0.621 4.819) 4.976 8.070 ( -0.221 -0.128 3.462) 3.472 8.213 ( -0.899 -0.519 -4.588) 4.704 8.588 ( 0.119 0.069 0.600) 0.616 8.626 ( -0.710 -0.410 2.948) 3.060 9.088 ( 1.598 0.923 3.862) 4.280 13.837 ( 0.830 0.479 3.991) 4.104 14.664 ( 0.363 0.210 4.650) 4.669 16.735 ( 6.858 3.960 22.250) 23.617 16.824 ( -0.608 -0.351 -9.483) 9.509 17.653 ( -0.426 -0.246 -0.799) 0.938 18.706 ( -6.255 -3.611 -26.580) 27.544 ======================= Grid point 334 (65/124) ======================= q-point: (-0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -3.294 -1.902 3.630) 5.258 2.033 ( -11.869 -6.853 9.860) 16.884 2.329 ( 1.347 0.778 0.845) 1.770 2.392 ( 5.603 3.235 1.662) 6.680 2.568 ( 3.386 1.955 2.722) 4.764 2.648 ( -3.738 -2.158 10.078) 10.963 2.978 ( -2.543 -1.468 -3.616) 4.658 3.218 ( -3.844 -2.220 1.958) 4.852 3.279 ( -4.938 -2.851 0.781) 5.755 3.526 ( 0.057 0.033 8.389) 8.389 3.771 ( 1.652 0.954 -1.747) 2.587 4.118 ( 0.629 0.363 -9.746) 9.773 4.176 ( 2.193 1.266 -15.110) 15.321 4.689 ( -0.898 -0.519 -13.539) 13.578 5.481 ( -4.504 -2.600 -4.420) 6.825 7.441 ( 3.112 1.797 4.570) 5.814 8.094 ( 2.228 1.286 3.277) 4.166 8.211 ( 0.730 0.421 -4.222) 4.305 8.591 ( 0.199 0.115 0.769) 0.803 8.602 ( -1.327 -0.766 3.052) 3.415 9.099 ( -0.780 -0.451 3.228) 3.352 13.855 ( 0.686 0.396 3.901) 3.981 14.559 ( -8.527 -4.923 4.257) 10.727 16.799 ( -1.456 -0.840 -9.331) 9.482 17.045 ( 17.700 10.219 24.305) 31.756 17.655 ( 0.781 0.451 -1.169) 1.477 18.523 ( -8.755 -5.055 -28.865) 30.584 ======================= Grid point 335 (66/124) ======================= q-point: (-0.30 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -8.020 -4.630 7.353) 11.825 1.752 ( -12.281 -7.091 11.341) 18.159 2.321 ( -2.048 -1.182 5.611) 6.089 2.392 ( -4.517 -2.608 2.996) 6.015 2.556 ( -4.574 -2.641 4.659) 7.043 2.590 ( -2.092 -1.208 5.353) 5.873 3.045 ( 8.539 4.930 -1.019) 9.912 3.073 ( -11.022 -6.364 4.666) 13.556 3.145 ( -1.553 -0.897 0.303) 1.819 3.625 ( 6.132 3.540 5.484) 8.956 3.796 ( 0.398 0.230 -1.695) 1.756 4.104 ( -1.353 -0.781 -13.627) 13.717 4.255 ( 4.100 2.367 -14.711) 15.454 4.656 ( -1.890 -1.091 -13.203) 13.382 5.345 ( -6.755 -3.900 -4.331) 8.922 7.535 ( 4.998 2.886 4.399) 7.257 8.165 ( 3.646 2.105 2.979) 5.157 8.245 ( 2.086 1.205 -3.323) 4.104 8.567 ( -1.579 -0.912 2.676) 3.238 8.596 ( 0.149 0.086 1.115) 1.128 9.047 ( -3.775 -2.180 2.193) 4.880 13.867 ( 0.306 0.177 3.623) 3.640 14.318 ( -11.334 -6.544 3.638) 13.584 16.760 ( -1.782 -1.029 -8.846) 9.082 17.363 ( 4.206 2.428 17.997) 18.641 17.719 ( 4.474 2.583 2.351) 5.676 18.404 ( 2.994 1.729 -27.536) 27.752 ======================= Grid point 336 (67/124) ======================= q-point: (-0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -9.751 -5.630 12.391) 16.743 1.463 ( -12.514 -7.225 13.761) 19.954 2.243 ( -4.438 -2.562 10.098) 11.324 2.246 ( -6.311 -3.643 10.521) 12.798 2.432 ( -5.503 -3.177 0.075) 6.354 2.511 ( -5.527 -3.191 7.137) 9.574 2.861 ( -4.950 -2.858 3.531) 6.719 3.160 ( 2.498 1.442 -1.799) 3.399 3.286 ( 10.972 6.335 2.191) 12.858 3.689 ( -2.575 -1.487 -0.606) 3.035 3.789 ( -0.975 -0.563 -1.634) 1.985 4.112 ( 3.069 1.772 -12.875) 13.354 4.350 ( 3.884 2.243 -14.563) 15.238 4.603 ( -2.640 -1.524 -13.008) 13.360 5.188 ( -6.294 -3.634 -4.279) 8.434 7.680 ( 7.664 4.425 4.436) 9.899 8.255 ( 3.974 2.294 2.785) 5.367 8.304 ( 2.917 1.684 -1.902) 3.869 8.530 ( -1.660 -0.958 1.696) 2.559 8.595 ( -0.279 -0.161 1.429) 1.465 8.919 ( -7.316 -4.224 0.950) 8.500 13.868 ( -0.214 -0.123 3.218) 3.228 14.065 ( -9.819 -5.669 3.054) 11.742 16.721 ( -1.423 -0.822 -8.182) 8.345 17.223 ( -13.387 -7.729 -0.384) 15.463 17.754 ( -0.426 -0.246 -0.288) 0.570 18.746 ( 21.920 12.656 -8.333) 26.648 ======================= Grid point 337 (68/124) ======================= q-point: (-0.10 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -9.967 -5.754 16.750) 20.323 1.193 ( -7.664 -4.425 17.207) 19.349 2.134 ( -4.206 -2.428 11.511) 12.494 2.154 ( -1.261 -0.728 19.581) 19.635 2.324 ( -3.701 -2.137 -1.289) 4.464 2.343 ( -7.245 -4.183 7.725) 11.387 2.868 ( 4.023 2.323 1.290) 4.821 3.237 ( 3.758 2.170 -3.354) 5.484 3.481 ( -2.236 -1.291 1.027) 2.779 3.575 ( 2.130 1.230 -4.262) 4.921 3.754 ( -1.955 -1.129 -1.279) 2.595 4.202 ( 3.212 1.854 -8.423) 9.203 4.429 ( 2.798 1.616 -14.605) 14.958 4.535 ( -3.089 -1.784 -13.546) 14.008 5.069 ( -3.714 -2.144 -4.251) 6.038 7.890 ( 9.954 5.747 3.733) 12.085 8.342 ( 3.353 1.936 2.815) 4.787 8.378 ( 3.297 1.903 0.173) 3.811 8.490 ( -1.782 -1.029 -0.023) 2.058 8.580 ( -1.013 -0.585 1.522) 1.919 8.711 ( -9.990 -5.768 0.369) 11.541 13.857 ( -0.696 -0.402 2.851) 2.963 13.886 ( -5.163 -2.981 2.824) 6.596 16.699 ( -0.482 -0.278 -7.602) 7.623 16.879 ( -13.449 -7.765 -7.036) 17.049 17.748 ( -0.031 -0.018 -0.246) 0.249 19.220 ( 16.137 9.317 -2.785) 18.840 ======================= Grid point 339 (69/124) ======================= q-point: ( 0.10 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 1.667 13.033 12.232) 17.952 1.422 ( 8.038 8.882 17.729) 21.397 2.194 ( 2.920 4.053 11.710) 12.731 2.253 ( 3.797 4.400 5.691) 8.134 2.311 ( -0.578 8.941 9.244) 12.874 2.581 ( 12.149 6.330 3.655) 14.178 2.784 ( -4.823 -0.285 1.037) 4.942 3.232 ( 1.937 -7.145 -1.230) 7.505 3.409 ( 0.543 -9.534 2.474) 9.864 3.605 ( -4.513 9.745 -5.165) 11.917 3.678 ( -6.475 0.774 1.207) 6.632 4.193 ( 2.061 -4.247 -12.484) 13.347 4.419 ( 2.150 -3.892 -14.349) 15.022 4.567 ( 0.151 3.176 -12.744) 13.134 5.153 ( 3.566 5.791 -4.308) 8.050 7.708 ( -6.834 -8.272 4.600) 11.675 8.322 ( -2.051 -3.475 0.462) 4.061 8.350 ( 4.113 -5.338 1.521) 6.908 8.460 ( -2.986 0.033 -0.047) 2.987 8.630 ( 2.173 3.543 1.804) 4.531 8.832 ( 1.274 8.332 1.096) 8.500 13.847 ( -1.759 2.419 2.809) 4.103 14.002 ( 4.671 6.370 3.840) 8.783 16.736 ( 2.665 0.981 -7.503) 8.022 17.051 ( -0.165 14.147 -2.309) 14.335 17.747 ( -0.328 0.040 -0.374) 0.499 18.962 ( -3.873 -20.253 -7.490) 21.938 ======================= Grid point 340 (70/124) ======================= q-point: ( 0.20 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 3.307 14.597 7.204) 16.610 1.612 ( 5.470 6.614 17.644) 19.621 2.257 ( -1.649 5.163 0.201) 5.424 2.372 ( 9.018 2.684 9.034) 13.043 2.512 ( 7.298 10.274 8.900) 15.428 2.677 ( -3.643 -0.246 2.089) 4.207 2.854 ( 7.284 -2.102 -2.118) 7.872 3.123 ( 0.331 -3.316 4.533) 5.626 3.409 ( 4.036 -2.879 1.320) 5.130 3.529 ( -7.436 2.688 2.032) 8.164 3.668 ( -0.950 4.357 -1.849) 4.828 4.160 ( -0.689 -4.456 -14.296) 14.990 4.393 ( -1.559 -2.798 -14.499) 14.849 4.612 ( 2.284 0.945 -12.502) 12.744 5.295 ( 5.412 5.989 -4.411) 9.199 7.531 ( -5.733 -4.440 4.886) 8.744 8.237 ( -3.729 -2.803 1.429) 4.879 8.337 ( -1.088 -2.868 -1.723) 3.518 8.432 ( 2.929 -5.040 1.367) 5.987 8.702 ( 0.330 5.828 1.813) 6.112 8.920 ( 1.752 4.521 2.627) 5.515 13.846 ( -1.883 3.619 3.082) 5.113 14.173 ( 8.340 4.968 5.120) 10.975 16.792 ( 1.867 1.334 -5.271) 5.749 17.083 ( -8.272 6.408 7.491) 12.869 17.726 ( -1.555 -1.088 0.185) 1.907 18.769 ( 1.959 -13.307 -19.373) 23.584 ======================= Grid point 341 (71/124) ======================= q-point: ( 0.30 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 1.911 13.273 4.127) 14.031 1.788 ( 7.136 7.979 12.397) 16.379 2.283 ( -1.615 6.111 0.116) 6.322 2.526 ( 4.370 -3.933 6.680) 8.899 2.597 ( -3.682 0.861 0.871) 3.881 2.685 ( 0.614 3.552 10.147) 10.768 2.825 ( 4.152 -1.584 -1.943) 4.850 3.278 ( 10.639 -2.411 -0.079) 10.909 3.394 ( -4.699 0.380 3.640) 5.956 3.494 ( 1.957 2.030 4.780) 5.549 3.698 ( -0.186 4.041 -1.888) 4.464 4.093 ( -1.738 -3.810 -12.773) 13.442 4.318 ( -4.371 -0.934 -14.348) 15.028 4.653 ( 2.296 -0.976 -12.911) 13.150 5.442 ( 4.759 4.593 -4.561) 8.034 7.424 ( -3.018 -1.807 4.976) 6.094 8.147 ( -3.672 -1.649 2.511) 4.744 8.278 ( -2.513 -1.700 -3.732) 4.810 8.440 ( 4.761 -7.309 1.865) 8.920 8.749 ( -2.329 6.817 1.770) 7.418 8.992 ( 2.846 2.023 3.706) 5.092 13.853 ( -1.805 4.164 3.575) 5.777 14.381 ( 11.125 1.510 5.439) 12.475 16.784 ( -3.049 -3.799 11.714) 12.686 16.978 ( -9.210 10.168 -2.049) 13.871 17.685 ( -1.390 -1.199 -0.322) 1.864 18.724 ( 4.331 -9.959 -25.163) 27.407 ======================= Grid point 342 (72/124) ======================= q-point: ( 0.40 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -0.193 10.265 2.030) 10.465 2.018 ( 9.789 7.236 7.973) 14.552 2.330 ( -1.003 8.046 -0.061) 8.109 2.405 ( -7.101 -7.063 5.708) 11.528 2.546 ( -2.571 1.335 0.523) 2.944 2.735 ( -0.065 1.173 11.842) 11.900 2.944 ( 6.597 0.068 -1.554) 6.778 3.294 ( -0.918 -5.888 0.126) 5.961 3.333 ( -0.616 -3.901 1.746) 4.318 3.575 ( 1.783 2.052 4.514) 5.269 3.744 ( 0.443 3.764 -1.215) 3.980 4.047 ( 0.727 -2.192 -9.814) 10.082 4.242 ( -4.554 2.119 -14.176) 15.039 4.672 ( 1.702 -2.027 -13.324) 13.584 5.534 ( 1.594 2.062 -4.702) 5.376 7.386 ( -0.293 -0.130 5.024) 5.034 8.088 ( -1.868 0.008 3.106) 3.624 8.226 ( -1.608 -1.259 -4.330) 4.787 8.448 ( 4.719 -7.564 1.746) 9.085 8.759 ( -4.096 6.586 1.988) 8.007 9.056 ( 2.696 0.509 3.896) 4.766 13.866 ( -1.540 4.171 3.926) 5.931 14.550 ( 8.593 -4.468 5.015) 10.907 16.684 ( -1.108 -2.483 21.902) 22.070 16.983 ( -6.394 15.304 -10.608) 19.688 17.658 ( -0.673 -0.679 -0.706) 1.188 18.673 ( 1.444 -11.277 -25.516) 27.934 ======================= Grid point 343 (73/124) ======================= q-point: (-0.50 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -4.743 5.715 2.719) 7.909 2.175 ( -8.950 -4.315 11.594) 15.269 2.254 ( 7.463 2.156 -0.248) 7.772 2.411 ( -1.352 9.229 0.452) 9.339 2.543 ( 0.504 1.673 0.966) 1.997 2.697 ( -2.547 -0.791 11.230) 11.543 2.987 ( -0.650 -3.211 -2.922) 4.389 3.198 ( -2.097 -8.622 0.763) 8.906 3.309 ( 1.466 -0.210 2.791) 3.160 3.561 ( -3.384 -0.101 5.737) 6.661 3.778 ( 0.032 2.630 -1.057) 2.835 4.067 ( 2.707 -1.951 -10.366) 10.890 4.216 ( -2.072 4.767 -13.770) 14.719 4.673 ( 0.999 -2.422 -13.488) 13.740 5.531 ( -2.846 -0.417 -4.679) 5.493 7.405 ( 2.064 0.594 4.885) 5.337 8.088 ( 0.623 2.034 3.192) 3.836 8.201 ( 0.070 -0.773 -4.205) 4.276 8.454 ( 4.393 -7.031 1.655) 8.454 8.744 ( -4.774 5.977 2.198) 7.959 9.088 ( 1.055 -0.986 3.527) 3.811 13.881 ( -1.385 3.794 3.962) 5.658 14.557 ( 0.252 -9.515 4.666) 10.601 16.727 ( 6.246 -1.335 15.006) 16.309 17.066 ( -2.257 18.659 -2.306) 18.936 17.648 ( 0.155 -0.216 -0.990) 1.025 18.547 ( -2.404 -11.107 -26.616) 28.940 ======================= Grid point 344 (74/124) ======================= q-point: (-0.40 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -8.942 0.988 6.697) 11.216 1.920 ( -13.834 -4.469 8.362) 16.771 2.366 ( 1.243 0.993 -0.364) 1.632 2.405 ( -3.872 -0.676 7.233) 8.232 2.588 ( 1.671 2.544 1.925) 3.602 2.670 ( -4.525 2.476 7.828) 9.375 2.930 ( 1.699 -4.920 -2.176) 5.642 3.062 ( -2.385 -6.985 1.280) 7.491 3.312 ( -5.667 3.828 3.049) 7.487 3.548 ( 3.654 1.237 6.661) 7.698 3.796 ( -0.189 0.360 -0.830) 0.925 4.082 ( 1.675 -2.157 -13.676) 13.946 4.258 ( 0.674 5.255 -14.071) 15.035 4.657 ( -0.143 -2.350 -13.212) 13.420 5.436 ( -6.504 -1.646 -4.510) 8.084 7.466 ( 4.250 0.467 4.637) 6.307 8.146 ( 2.379 3.954 2.898) 5.449 8.213 ( 1.895 -0.380 -3.419) 3.928 8.459 ( 3.782 -6.067 1.514) 7.307 8.716 ( -4.774 5.161 2.244) 7.380 9.067 ( -1.459 -2.661 2.796) 4.126 13.891 ( -1.432 2.824 3.652) 4.833 14.396 ( -6.544 -9.543 4.493) 12.413 16.784 ( 0.460 -0.036 -1.024) 1.123 17.276 ( 6.714 7.609 15.093) 18.187 17.673 ( 2.693 1.497 -0.501) 3.122 18.415 ( -1.961 -2.783 -29.210) 29.408 ======================= Grid point 345 (75/124) ======================= q-point: (-0.30 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -12.924 -1.840 9.097) 15.911 1.626 ( -12.367 -4.698 12.818) 18.420 2.303 ( -5.967 -1.309 9.831) 11.575 2.334 ( -3.531 -1.231 0.825) 3.829 2.523 ( -10.863 -2.043 8.161) 13.739 2.628 ( -2.638 5.761 2.621) 6.857 2.865 ( -1.811 -8.742 0.510) 8.942 3.094 ( 6.720 1.355 3.011) 7.487 3.271 ( -2.018 7.782 0.701) 8.070 3.649 ( 5.577 -1.713 3.975) 7.060 3.756 ( -2.369 -5.113 -2.098) 6.013 4.108 ( 2.099 2.355 -14.877) 15.208 4.335 ( 2.175 4.667 -14.463) 15.352 4.621 ( -1.473 -1.923 -12.798) 13.025 5.290 ( -7.902 -1.300 -4.367) 9.122 7.564 ( 6.969 -0.182 4.590) 8.346 8.241 ( 2.871 5.500 2.359) 6.638 8.257 ( 3.319 -0.132 -1.857) 3.805 8.462 ( 2.784 -4.825 0.991) 5.658 8.682 ( -4.409 3.676 2.125) 6.121 8.981 ( -4.575 -4.054 1.823) 6.379 13.884 ( -1.501 0.527 3.105) 3.488 14.177 ( -8.979 -5.512 4.262) 11.366 16.765 ( -2.610 1.279 -6.494) 7.115 17.295 ( -3.802 -8.667 7.910) 12.335 17.740 ( 2.010 -0.389 1.148) 2.347 18.549 ( 12.948 11.546 -19.278) 25.935 ======================= Grid point 350 (76/124) ======================= q-point: ( 0.20 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 4.055 8.957 11.317) 14.991 1.819 ( 2.629 16.519 5.521) 17.615 2.357 ( 0.141 2.625 -0.254) 2.641 2.419 ( 4.161 2.144 7.795) 9.093 2.679 ( 1.818 -2.909 3.642) 5.004 2.689 ( 1.798 6.752 6.792) 9.745 2.772 ( -3.872 1.276 -1.633) 4.391 3.084 ( 6.221 -3.335 0.419) 7.071 3.391 ( 4.112 0.323 4.561) 6.150 3.540 ( -3.360 -0.479 4.792) 5.872 3.756 ( -1.903 3.674 -0.880) 4.230 4.073 ( -0.772 -3.469 -14.992) 15.408 4.342 ( 0.984 -1.997 -14.455) 14.625 4.621 ( -0.288 0.044 -12.638) 12.641 5.420 ( 3.735 6.099 -4.625) 8.517 7.457 ( -3.214 -2.978 4.890) 6.566 8.191 ( -2.972 -1.694 -0.177) 3.425 8.249 ( 3.284 -5.101 0.540) 6.090 8.367 ( -3.806 -1.996 0.564) 4.334 8.791 ( 3.757 3.341 2.336) 5.544 9.004 ( -1.218 3.455 2.811) 4.617 13.923 ( 0.445 3.443 3.037) 4.612 14.271 ( 2.432 4.804 5.632) 7.792 16.789 ( -1.085 -2.300 6.288) 6.783 17.240 ( -6.718 8.665 3.039) 11.378 17.694 ( -1.181 -2.117 0.100) 2.426 18.504 ( 5.670 -11.531 -25.549) 28.598 ======================= Grid point 351 (77/124) ======================= q-point: ( 0.30 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 2.923 9.662 7.061) 12.319 2.003 ( 1.138 12.347 5.239) 13.461 2.368 ( 0.389 -5.514 3.027) 6.302 2.452 ( -1.031 5.378 1.700) 5.734 2.664 ( -5.715 5.910 0.774) 8.258 2.732 ( 3.010 2.250 9.176) 9.916 2.829 ( 4.526 0.052 1.357) 4.726 3.144 ( 5.949 -8.956 -2.744) 11.097 3.349 ( -3.374 -5.154 6.191) 8.734 3.584 ( 2.240 5.407 3.756) 6.954 3.763 ( -0.260 1.835 0.362) 1.888 4.026 ( -0.876 -2.379 -13.335) 13.573 4.334 ( -1.985 2.685 -14.004) 14.397 4.613 ( 1.161 -2.885 -12.901) 13.270 5.526 ( 2.432 3.549 -5.017) 6.608 7.397 ( -1.390 -0.894 5.214) 5.469 8.130 ( -2.694 0.094 1.597) 3.133 8.239 ( -0.627 -2.243 -3.108) 3.884 8.307 ( 1.896 -5.588 2.300) 6.333 8.865 ( -0.353 4.753 2.282) 5.284 9.020 ( 1.013 0.614 3.497) 3.692 13.960 ( -1.921 6.114 3.600) 7.351 14.356 ( 6.319 -3.693 5.507) 9.159 16.692 ( -3.492 -4.665 20.678) 21.483 17.286 ( -5.239 19.042 -10.860) 22.539 17.663 ( -0.702 -0.947 -0.782) 1.415 18.463 ( 4.790 -15.386 -24.445) 29.279 ======================= Grid point 352 (78/124) ======================= q-point: ( 0.40 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -4.697 8.306 1.756) 9.703 2.129 ( 5.882 3.677 9.812) 12.016 2.275 ( -3.374 -4.892 4.081) 7.210 2.536 ( -0.946 9.124 -1.733) 9.336 2.635 ( -5.489 8.921 0.085) 10.475 2.727 ( -2.980 -1.801 12.507) 12.983 2.916 ( 5.364 -2.705 -2.053) 6.349 3.118 ( 1.112 -9.791 -1.993) 10.053 3.255 ( 1.201 -3.999 6.590) 7.801 3.630 ( -2.647 3.178 3.095) 5.166 3.787 ( 1.344 0.134 1.081) 1.731 4.010 ( 1.280 -1.209 -12.171) 12.298 4.327 ( -3.839 5.641 -13.434) 15.067 4.608 ( 2.437 -4.093 -13.256) 14.086 5.566 ( -0.686 1.050 -5.218) 5.367 7.386 ( 0.478 0.024 5.326) 5.347 8.111 ( -0.731 2.295 2.659) 3.588 8.199 ( -1.173 -1.491 -3.738) 4.192 8.310 ( 4.393 -5.861 1.879) 7.562 8.875 ( -3.694 4.866 2.446) 6.581 9.047 ( 2.035 -1.351 3.492) 4.262 13.978 ( -3.418 6.649 4.055) 8.506 14.398 ( 5.583 -9.401 4.929) 11.994 16.640 ( 1.877 -1.783 22.715) 22.862 17.386 ( -8.555 22.304 -13.306) 27.344 17.646 ( -0.414 -0.518 -0.928) 1.140 18.376 ( 5.135 -17.016 -23.515) 29.476 ======================= Grid point 354 (79/124) ======================= q-point: (-0.50 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -8.856 0.954 7.324) 11.531 2.114 ( -10.931 -3.160 4.874) 12.378 2.292 ( 6.737 2.661 2.736) 7.743 2.502 ( -5.708 -0.893 3.421) 6.714 2.625 ( -2.586 5.636 2.101) 6.547 2.741 ( -0.246 4.894 6.292) 7.975 2.891 ( -3.184 -7.942 -0.327) 8.563 3.032 ( 1.061 -2.663 -0.836) 2.987 3.331 ( 5.580 1.669 5.572) 8.060 3.578 ( -4.789 1.190 4.437) 6.636 3.797 ( 0.105 -1.070 0.687) 1.276 4.030 ( 2.023 -1.105 -13.879) 14.069 4.320 ( -2.256 4.269 -13.647) 14.476 4.615 ( 2.003 -2.525 -13.092) 13.483 5.524 ( -4.394 -0.174 -5.001) 6.659 7.409 ( 2.198 -0.270 5.130) 5.588 8.151 ( 1.651 3.513 3.166) 5.009 8.181 ( 0.743 -0.646 -3.389) 3.529 8.334 ( 4.282 -4.539 1.056) 6.328 8.845 ( -4.585 3.766 2.543) 6.455 9.050 ( 0.259 -2.497 3.163) 4.038 13.971 ( -3.660 3.889 3.701) 6.497 14.359 ( 0.276 -7.711 5.190) 9.300 16.707 ( 6.119 -0.807 17.928) 18.961 17.387 ( -9.510 7.670 -6.321) 13.756 17.651 ( 1.259 0.886 -1.079) 1.880 18.353 ( 5.731 -4.197 -25.901) 26.858 ======================= Grid point 362 (80/124) ======================= q-point: ( 0.30 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 4.443 7.015 6.616) 10.617 2.175 ( -4.339 3.944 5.091) 7.765 2.222 ( 1.523 -7.020 4.356) 8.400 2.625 ( 2.813 9.807 0.120) 10.203 2.725 ( 4.314 -0.807 7.530) 8.715 2.791 ( -0.164 -0.994 2.187) 2.408 2.863 ( -3.462 5.250 -1.485) 6.462 2.974 ( 1.243 -5.538 -2.225) 6.097 3.217 ( -3.166 -6.160 7.421) 10.151 3.681 ( 2.888 3.796 2.818) 5.540 3.764 ( -1.790 -1.498 1.886) 3.001 3.998 ( -0.479 -0.610 -13.097) 13.120 4.414 ( 2.776 4.447 -13.388) 14.377 4.541 ( -2.343 -3.921 -13.102) 13.875 5.577 ( 0.786 1.323 -5.504) 5.715 7.385 ( -0.335 -0.346 5.511) 5.532 8.153 ( -0.705 2.001 1.903) 2.850 8.188 ( 2.814 -2.255 -1.795) 4.028 8.227 ( -3.619 -2.558 0.819) 4.507 8.943 ( 2.373 2.967 2.794) 4.716 9.013 ( -1.482 -1.256 3.194) 3.739 14.085 ( 3.140 5.714 4.111) 7.708 14.256 ( -3.082 -5.337 4.930) 7.892 16.618 ( -1.471 -2.190 23.352) 23.501 17.634 ( 0.218 2.935 -2.528) 3.880 17.695 ( 7.395 14.306 -14.338) 21.562 18.136 ( -6.280 -15.403 -21.601) 27.264 ======================= Grid point 436 (81/124) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 0.000 -0.000 19.082) 19.082 1.453 ( -0.000 0.000 19.082) 19.082 2.220 ( -0.000 0.000 -3.306) 3.306 2.220 ( -0.000 0.000 -3.306) 3.306 2.283 ( 0.000 0.000 8.678) 8.678 2.697 ( 0.000 -0.000 20.605) 20.605 2.993 ( 0.000 0.000 5.938) 5.938 3.244 ( 0.000 0.000 -3.631) 3.631 3.244 ( -0.000 -0.000 -3.631) 3.631 3.689 ( 0.000 -0.000 -0.597) 0.597 3.689 ( 0.000 -0.000 -0.597) 0.597 4.084 ( 0.000 0.000 -9.449) 9.449 4.199 ( -0.000 0.000 -12.936) 12.936 4.199 ( -0.000 0.000 -12.936) 12.936 4.945 ( 0.000 -0.000 -3.583) 3.583 8.100 ( -0.000 0.000 2.730) 2.730 8.421 ( 0.000 -0.000 -3.373) 3.373 8.458 ( -0.000 0.000 2.723) 2.723 8.458 ( 0.000 -0.000 2.723) 2.723 8.571 ( 0.000 0.000 0.468) 0.468 8.571 ( 0.000 0.000 0.468) 0.468 13.888 ( 0.000 -0.000 2.269) 2.269 13.888 ( 0.000 -0.000 2.269) 2.269 16.568 ( -0.000 -0.000 -5.810) 5.810 16.568 ( 0.000 -0.000 -5.810) 5.810 17.749 ( 0.000 0.000 0.082) 0.082 19.367 ( 0.000 0.000 -2.102) 2.102 ======================= Grid point 437 (82/124) ======================= q-point: ( 0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 1.725 0.996 17.916) 18.027 1.627 ( 11.584 6.688 18.463) 22.800 2.197 ( -0.478 -0.276 -2.011) 2.085 2.334 ( 7.443 4.297 -2.720) 9.014 2.345 ( 5.222 3.015 8.780) 10.651 2.705 ( 1.157 0.668 18.102) 18.151 2.861 ( -7.686 -4.437 1.704) 9.037 3.304 ( 2.452 1.416 -5.026) 5.769 3.313 ( 4.155 2.399 -0.124) 4.800 3.610 ( -6.903 -3.985 -1.285) 8.073 3.651 ( -1.636 -0.945 0.606) 1.984 4.041 ( -2.185 -1.262 -10.183) 10.491 4.205 ( -0.661 -0.382 -13.218) 13.240 4.255 ( 4.171 2.408 -10.875) 11.894 4.990 ( 3.775 2.180 -3.637) 5.677 7.941 ( -10.345 -5.972 3.219) 12.371 8.376 ( -2.740 -1.582 -3.109) 4.436 8.435 ( -3.012 -1.739 2.113) 4.069 8.496 ( 3.401 1.963 1.983) 4.399 8.570 ( 0.860 0.497 0.977) 1.394 8.714 ( 7.904 4.563 0.843) 9.166 13.874 ( -0.383 -0.221 2.745) 2.781 13.967 ( 5.802 3.350 2.209) 7.054 16.588 ( 1.111 0.641 -6.238) 6.368 16.700 ( 10.762 6.214 -5.854) 13.737 17.745 ( -0.343 -0.198 -0.054) 0.400 19.200 ( -13.340 -7.702 -1.802) 15.508 ======================= Grid point 438 (83/124) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 4.317 2.492 14.710) 15.532 1.894 ( 9.298 5.368 19.700) 22.436 2.197 ( 0.491 0.283 -1.033) 1.178 2.500 ( 6.113 3.529 4.359) 8.296 2.510 ( 8.489 4.901 8.908) 13.245 2.690 ( -4.351 -2.512 -2.417) 5.575 2.818 ( 5.992 3.459 3.882) 7.934 3.277 ( -6.341 -3.661 0.842) 7.370 3.354 ( 1.749 1.010 -5.460) 5.822 3.535 ( 1.516 0.875 2.037) 2.686 3.615 ( -1.351 -0.780 1.440) 2.123 3.994 ( -1.944 -1.123 -9.626) 9.884 4.166 ( -2.655 -1.533 -13.196) 13.547 4.348 ( 3.422 1.976 -10.482) 11.202 5.112 ( 6.418 3.706 -3.752) 8.307 7.711 ( -8.679 -5.011 3.463) 10.604 8.307 ( -3.131 -1.808 -3.412) 4.971 8.345 ( -4.338 -2.505 1.944) 5.373 8.576 ( 3.264 1.884 1.604) 4.096 8.589 ( 0.586 0.338 1.040) 1.240 8.883 ( 6.390 3.689 2.002) 7.645 13.871 ( 0.104 0.060 3.244) 3.247 14.146 ( 9.369 5.409 3.003) 11.228 16.616 ( 1.237 0.714 -6.834) 6.982 16.983 ( 11.383 6.572 -2.893) 13.458 17.734 ( -0.596 -0.344 -0.320) 0.759 18.819 ( -17.516 -10.113 -4.285) 20.675 ======================= Grid point 439 (84/124) ======================= q-point: ( 0.30 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 5.143 2.969 10.889) 12.403 2.016 ( 2.200 1.270 18.818) 18.989 2.216 ( 1.018 0.588 -0.397) 1.241 2.573 ( -2.038 -1.177 -0.923) 2.528 2.701 ( 7.687 4.438 0.773) 8.910 2.719 ( 9.019 5.207 9.080) 13.817 2.842 ( -5.988 -3.457 -2.686) 7.418 3.268 ( 6.183 3.570 1.035) 7.215 3.375 ( -0.202 -0.117 -3.576) 3.583 3.579 ( 1.802 1.040 4.114) 4.610 3.599 ( 0.203 0.117 0.401) 0.464 3.957 ( -0.963 -0.556 -7.117) 7.203 4.083 ( -4.398 -2.539 -13.100) 14.050 4.409 ( 1.824 1.053 -11.004) 11.204 5.270 ( 6.737 3.889 -3.825) 8.668 7.551 ( -5.124 -2.958 3.233) 6.743 8.234 ( -3.080 -1.778 -3.622) 5.076 8.245 ( -4.096 -2.365 2.183) 5.209 8.596 ( 0.083 0.048 0.735) 0.741 8.641 ( 2.227 1.286 1.657) 3.059 9.010 ( 4.637 2.677 2.879) 6.080 13.879 ( 0.518 0.299 3.558) 3.608 14.390 ( 11.280 6.512 3.987) 13.621 16.642 ( 0.900 0.520 -7.361) 7.434 17.141 ( 1.259 0.727 6.255) 6.422 17.708 ( -1.868 -1.078 -0.009) 2.157 18.485 ( -9.608 -5.547 -12.964) 17.063 ======================= Grid point 440 (85/124) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 4.701 2.714 7.656) 9.385 2.073 ( 3.918 2.262 10.810) 11.719 2.240 ( 1.028 0.594 -0.416) 1.258 2.522 ( -1.695 -0.979 -1.684) 2.582 2.658 ( -8.259 -4.768 2.258) 9.800 2.890 ( 6.888 3.977 0.044) 7.954 2.899 ( 5.653 3.264 10.016) 11.955 3.351 ( -1.343 -0.775 -0.643) 1.679 3.360 ( -0.045 -0.026 -3.417) 3.417 3.626 ( 1.907 1.101 -1.772) 2.826 3.648 ( 3.936 2.272 5.608) 7.218 3.956 ( 0.782 0.451 -3.664) 3.774 3.971 ( -4.917 -2.839 -13.254) 14.419 4.435 ( 0.600 0.346 -11.579) 11.600 5.403 ( 4.285 2.474 -3.836) 6.260 7.471 ( -1.833 -1.059 2.796) 3.507 8.165 ( -2.600 -1.501 2.490) 3.901 8.170 ( -2.278 -1.315 -3.603) 4.461 8.596 ( -0.058 -0.033 0.418) 0.424 8.677 ( 0.845 0.488 2.048) 2.268 9.100 ( 3.075 1.776 2.953) 4.619 13.894 ( 0.731 0.422 3.586) 3.684 14.639 ( 9.078 5.241 4.436) 11.383 16.655 ( 0.232 0.134 -7.632) 7.636 17.077 ( -4.171 -2.408 12.856) 13.728 17.663 ( -1.531 -0.884 -0.390) 1.811 18.359 ( -3.144 -1.815 -18.274) 18.631 ======================= Grid point 441 (86/124) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 2.682 1.549 6.207) 6.937 2.209 ( 6.585 3.802 2.708) 8.071 2.264 ( 1.110 0.641 -1.648) 2.088 2.439 ( -6.203 -3.581 3.974) 8.191 2.545 ( 0.287 0.166 1.422) 1.461 2.950 ( -1.182 -0.683 11.430) 11.511 2.978 ( 0.090 0.052 -0.968) 0.974 3.324 ( -1.572 -0.907 0.769) 1.971 3.324 ( -1.481 -0.855 -1.269) 2.129 3.677 ( 2.301 1.328 -2.658) 3.758 3.697 ( -0.248 -0.143 5.446) 5.453 3.882 ( -2.016 -1.164 -13.502) 13.702 3.982 ( 0.968 0.559 -3.102) 3.297 4.441 ( -0.052 -0.030 -11.862) 11.862 5.454 ( -0.116 -0.067 -3.790) 3.793 7.460 ( 0.803 0.463 2.301) 2.480 8.131 ( -0.223 -0.129 2.661) 2.673 8.134 ( -0.698 -0.403 -3.339) 3.435 8.596 ( 0.123 0.071 0.273) 0.308 8.681 ( -0.434 -0.251 2.492) 2.542 9.149 ( 1.098 0.634 2.391) 2.707 13.911 ( 0.691 0.399 3.350) 3.443 14.756 ( 0.050 0.029 4.332) 4.332 16.652 ( -0.525 -0.303 -7.561) 7.586 17.087 ( 7.217 4.167 12.730) 15.215 17.640 ( -0.645 -0.373 -0.541) 0.921 18.260 ( -6.370 -3.678 -17.617) 19.091 ======================= Grid point 443 (87/124) ======================= q-point: (-0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -1.214 -0.701 7.311) 7.444 2.174 ( -8.082 -4.666 6.406) 11.319 2.294 ( 1.394 0.805 -3.831) 4.155 2.458 ( 4.210 2.430 3.264) 5.855 2.615 ( 6.467 3.734 0.988) 7.532 2.871 ( -5.169 -2.984 11.714) 13.147 2.914 ( -3.920 -2.263 -2.109) 4.994 3.249 ( -4.584 -2.647 0.593) 5.326 3.294 ( -2.654 -1.532 0.600) 3.122 3.668 ( -0.697 -0.402 5.888) 5.942 3.727 ( 1.815 1.048 -2.588) 3.330 3.895 ( 2.848 1.644 -12.664) 13.084 3.974 ( -1.936 -1.117 -5.033) 5.507 4.433 ( -0.653 -0.377 -11.704) 11.728 5.398 ( -4.434 -2.560 -3.712) 6.324 7.504 ( 2.943 1.699 1.963) 3.924 8.140 ( 1.189 0.687 -2.898) 3.207 8.154 ( 2.077 1.199 2.654) 3.577 8.602 ( 0.385 0.222 0.334) 0.556 8.659 ( -1.388 -0.801 2.661) 3.106 9.146 ( -1.486 -0.858 1.587) 2.337 13.924 ( 0.410 0.237 2.938) 2.976 14.641 ( -9.014 -5.204 3.881) 11.108 16.633 ( -1.095 -0.632 -7.176) 7.286 17.431 ( 21.066 12.162 12.954) 27.559 17.624 ( -0.897 -0.518 -1.842) 2.114 18.051 ( -11.179 -6.454 -16.872) 21.243 ======================= Grid point 444 (88/124) ======================= q-point: (-0.30 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -4.651 -2.686 10.157) 11.490 1.972 ( -8.981 -5.185 11.992) 15.854 2.318 ( 0.380 0.220 -4.876) 4.896 2.469 ( -2.493 -1.439 4.338) 5.206 2.717 ( -7.997 -4.617 10.000) 13.612 2.721 ( -0.321 -0.185 6.814) 6.824 2.958 ( 8.692 5.018 -7.763) 12.689 3.155 ( -2.567 -1.482 0.592) 3.023 3.159 ( -7.218 -4.168 3.863) 9.187 3.704 ( 2.416 1.395 2.303) 3.617 3.754 ( 0.441 0.254 -2.581) 2.631 3.902 ( -3.156 -1.822 -6.672) 7.602 3.986 ( 4.417 2.550 -11.761) 12.819 4.408 ( -1.595 -0.921 -11.364) 11.512 5.264 ( -6.711 -3.874 -3.657) 8.569 7.598 ( 5.159 2.978 2.082) 6.310 8.186 ( 2.723 1.572 -2.449) 3.985 8.221 ( 3.502 2.022 2.585) 4.799 8.612 ( 0.380 0.219 0.498) 0.663 8.619 ( -2.021 -1.167 2.434) 3.372 9.077 ( -4.558 -2.632 0.828) 5.328 13.928 ( -0.038 -0.022 2.478) 2.478 14.388 ( -11.858 -6.846 3.294) 14.083 16.604 ( -1.256 -0.725 -6.602) 6.759 17.501 ( -11.339 -6.547 -3.436) 13.537 17.785 ( -4.534 -2.618 -1.252) 5.383 18.058 ( 26.358 15.218 -1.921) 30.497 ======================= Grid point 445 (89/124) ======================= q-point: (-0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -5.869 -3.389 13.899) 15.464 1.754 ( -9.835 -5.678 16.141) 19.736 2.307 ( -1.283 -0.741 -4.454) 4.694 2.379 ( -4.694 -2.710 4.087) 6.789 2.516 ( -8.682 -5.013 8.255) 12.987 2.712 ( -0.084 -0.048 10.031) 10.031 2.918 ( -5.913 -3.414 2.070) 7.134 3.140 ( 0.968 0.559 -0.102) 1.123 3.283 ( 12.153 7.017 -2.125) 14.193 3.644 ( -7.480 -4.319 -2.674) 9.042 3.750 ( -0.688 -0.397 -2.280) 2.414 3.928 ( 4.623 2.669 -6.620) 8.504 4.083 ( 3.738 2.158 -11.833) 12.595 4.358 ( -2.693 -1.555 -11.224) 11.647 5.108 ( -6.271 -3.621 -3.638) 8.104 7.748 ( 7.879 4.549 2.627) 9.469 8.261 ( 3.634 2.098 -2.153) 4.716 8.309 ( 3.944 2.277 2.570) 5.230 8.568 ( -2.389 -1.379 1.918) 3.360 8.616 ( -0.153 -0.088 0.617) 0.642 8.932 ( -7.870 -4.544 0.352) 9.095 13.922 ( -0.505 -0.292 2.123) 2.202 14.125 ( -10.110 -5.837 2.902) 12.030 16.578 ( -0.927 -0.535 -6.046) 6.140 17.121 ( -18.489 -10.675 -7.889) 22.760 17.741 ( -0.187 -0.108 -0.695) 0.728 18.692 ( 25.749 14.866 0.971) 29.749 ======================= Grid point 446 (90/124) ======================= q-point: (-0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -4.861 -2.807 17.438) 18.319 1.536 ( -7.885 -4.552 18.386) 20.517 2.263 ( -4.534 -2.618 -0.340) 5.246 2.266 ( -2.107 -1.216 -4.242) 4.889 2.346 ( -5.374 -3.103 8.436) 10.473 2.701 ( -0.458 -0.264 17.982) 17.990 2.902 ( 3.905 2.255 3.323) 5.601 3.183 ( 2.441 1.409 -1.861) 3.377 3.424 ( -9.271 -5.353 -4.213) 11.505 3.551 ( 8.881 5.127 0.178) 10.256 3.725 ( -1.378 -0.796 -1.601) 2.257 4.032 ( 3.661 2.114 -9.215) 10.138 4.156 ( 2.528 1.459 -12.378) 12.717 4.280 ( -4.017 -2.319 -11.799) 12.678 4.989 ( -3.683 -2.127 -3.612) 5.580 7.955 ( 9.301 5.370 2.944) 11.136 8.352 ( 4.084 2.358 -2.237) 5.220 8.397 ( 3.467 2.002 2.635) 4.793 8.510 ( -2.493 -1.440 1.559) 3.274 8.601 ( -1.085 -0.626 0.598) 1.388 8.720 ( -9.850 -5.687 0.378) 11.380 13.906 ( -0.788 -0.455 2.031) 2.225 13.941 ( -5.337 -3.081 2.656) 6.710 16.564 ( -0.230 -0.133 -5.735) 5.741 16.735 ( -13.161 -7.599 -6.878) 16.682 17.745 ( 0.304 0.175 -0.066) 0.357 19.184 ( 15.374 8.876 -1.107) 17.787 ======================= Grid point 448 (91/124) ======================= q-point: ( 0.10 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -0.854 8.784 15.327) 17.686 1.772 ( 10.438 7.020 17.776) 21.777 2.242 ( -2.531 3.941 -1.710) 4.986 2.400 ( 6.192 3.146 3.683) 7.862 2.476 ( 5.455 8.346 6.130) 11.704 2.736 ( 3.317 1.866 10.980) 11.621 2.792 ( -7.120 -0.903 0.077) 7.177 3.224 ( 4.549 -2.621 0.579) 5.282 3.390 ( -2.752 -9.078 -4.510) 10.504 3.538 ( -0.702 7.856 -0.516) 7.904 3.689 ( -4.232 1.806 0.041) 4.601 3.984 ( -0.194 -4.395 -9.178) 10.178 4.149 ( 1.670 -3.714 -12.468) 13.116 4.329 ( 1.061 3.288 -10.843) 11.381 5.072 ( 3.472 5.756 -3.682) 7.664 7.784 ( -6.383 -8.343 3.149) 10.967 8.292 ( -1.066 -4.769 -2.345) 5.420 8.397 ( 2.336 -4.370 2.503) 5.551 8.472 ( -3.357 0.346 0.792) 3.467 8.659 ( 2.169 3.930 1.193) 4.645 8.852 ( 2.660 8.340 0.916) 8.802 13.901 ( -1.266 2.179 2.547) 3.583 14.069 ( 5.495 7.130 2.847) 9.441 16.597 ( 2.417 0.969 -6.184) 6.710 16.954 ( 4.811 17.056 -6.188) 18.771 17.739 ( -0.297 -0.268 -0.345) 0.529 18.887 ( -8.912 -22.487 -1.313) 24.225 ======================= Grid point 449 (92/124) ======================= q-point: ( 0.20 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 0.935 10.673 11.709) 15.871 1.971 ( 5.732 2.730 18.643) 19.695 2.253 ( -1.319 4.689 -0.944) 4.961 2.537 ( 6.682 1.810 6.333) 9.382 2.648 ( 0.294 4.301 3.418) 5.502 2.692 ( 0.753 4.242 -1.302) 4.501 2.826 ( 3.579 -2.308 1.510) 4.518 3.188 ( 1.018 -4.668 1.598) 5.038 3.391 ( 4.051 2.400 -3.442) 5.833 3.562 ( -3.063 3.340 2.165) 5.022 3.658 ( -1.779 3.031 0.880) 3.623 3.938 ( 0.183 -4.239 -8.439) 9.445 4.116 ( -1.641 -2.825 -12.958) 13.364 4.379 ( 1.949 0.886 -10.609) 10.823 5.212 ( 5.327 5.916 -3.792) 8.818 7.609 ( -5.584 -4.719 3.157) 7.964 8.224 ( -1.459 -4.337 -2.294) 5.119 8.335 ( -5.046 -0.764 1.125) 5.226 8.462 ( 3.975 -5.413 1.514) 6.884 8.730 ( -0.042 6.189 1.102) 6.286 8.968 ( 3.248 4.457 2.152) 5.920 13.908 ( -1.169 3.261 3.056) 4.619 14.262 ( 8.919 5.809 3.761) 11.289 16.656 ( 1.649 3.558 -6.850) 7.893 17.165 ( 1.141 10.441 0.448) 10.512 17.725 ( -1.177 -0.562 -0.262) 1.331 18.510 ( -7.302 -19.466 -7.448) 22.084 ======================= Grid point 450 (93/124) ======================= q-point: ( 0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 0.370 11.468 8.472) 14.263 2.052 ( 2.166 2.876 14.335) 14.780 2.283 ( -1.341 5.461 -0.416) 5.639 2.548 ( -3.180 -1.390 -1.553) 3.802 2.705 ( -1.130 -4.109 5.192) 6.717 2.760 ( 7.005 0.508 -2.741) 7.539 2.883 ( 3.565 6.763 8.495) 11.428 3.242 ( 7.317 -6.036 -3.008) 9.951 3.425 ( -4.827 3.307 -1.360) 6.008 3.592 ( 4.474 2.654 4.815) 7.088 3.666 ( -1.354 3.795 -0.455) 4.055 3.912 ( 1.339 -3.721 -6.020) 7.203 4.045 ( -4.005 -0.540 -12.516) 13.152 4.410 ( 1.649 -0.919 -11.127) 11.286 5.357 ( 4.739 4.388 -3.885) 7.537 7.500 ( -3.078 -1.914 2.932) 4.662 8.160 ( -1.359 -3.196 -1.725) 3.877 8.241 ( -4.762 -0.299 0.428) 4.790 8.474 ( 4.348 -6.761 1.522) 8.181 8.778 ( -2.207 6.978 1.117) 7.403 9.057 ( 3.381 1.849 2.838) 4.786 13.923 ( -1.304 3.970 3.402) 5.388 14.481 ( 11.039 1.827 4.404) 12.025 16.725 ( -0.417 7.994 -7.439) 10.928 17.159 ( -7.461 0.821 10.380) 12.810 17.681 ( -1.986 -1.550 -0.087) 2.521 18.307 ( 1.250 -11.566 -16.550) 20.230 ======================= Grid point 451 (94/124) ======================= q-point: ( 0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -1.184 9.802 6.764) 11.968 2.152 ( 4.705 5.369 6.686) 9.781 2.316 ( -1.698 6.750 -1.306) 7.082 2.483 ( -2.551 -3.538 1.081) 4.494 2.581 ( -5.015 -1.236 2.305) 5.656 2.920 ( 6.557 -0.063 -0.217) 6.561 2.962 ( -0.068 1.483 10.325) 10.431 3.250 ( 3.176 -8.616 -2.890) 9.627 3.371 ( -3.152 1.254 0.298) 3.405 3.664 ( 1.318 0.412 3.767) 4.013 3.707 ( 0.243 4.133 -1.667) 4.463 3.901 ( 0.862 -2.640 -6.941) 7.476 3.994 ( -2.575 2.703 -8.751) 9.514 4.420 ( 1.245 -1.910 -11.595) 11.817 5.447 ( 1.729 1.754 -3.932) 4.640 7.460 ( -0.556 -0.076 2.582) 2.643 8.119 ( -0.422 -1.605 -1.315) 2.117 8.173 ( -2.744 0.316 0.361) 2.785 8.479 ( 4.264 -7.003 1.363) 8.311 8.794 ( -3.764 6.691 1.469) 7.816 9.120 ( 2.518 0.148 2.639) 3.651 13.941 ( -1.457 4.131 3.451) 5.576 14.646 ( 8.235 -4.573 4.418) 10.404 16.791 ( -5.915 13.081 -8.509) 16.688 17.041 ( -0.608 -1.110 13.774) 13.832 17.646 ( -0.773 -0.826 -0.541) 1.254 18.237 ( 1.042 -10.111 -17.852) 20.543 ======================= Grid point 452 (95/124) ======================= q-point: (-0.50 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -3.326 6.922 6.620) 10.139 2.251 ( -1.779 0.097 2.683) 3.221 2.328 ( -4.106 1.631 0.542) 4.451 2.431 ( 2.355 6.303 1.983) 7.014 2.564 ( 1.916 1.516 0.921) 2.611 2.886 ( -2.729 -5.466 4.493) 7.584 2.976 ( -2.129 0.105 5.277) 5.691 3.201 ( 0.036 -8.974 -0.080) 8.975 3.353 ( -0.298 2.330 0.702) 2.452 3.667 ( -0.483 -1.044 4.670) 4.810 3.737 ( 0.099 3.121 -2.949) 4.295 3.885 ( -0.599 -1.067 -8.775) 8.860 3.996 ( -0.936 2.349 -7.067) 7.506 4.419 ( 0.949 -2.093 -11.667) 11.891 5.445 ( -2.576 -0.669 -3.878) 4.703 7.474 ( 1.690 0.755 2.229) 2.897 8.114 ( 0.991 -0.404 -2.125) 2.379 8.159 ( 0.008 1.802 1.604) 2.413 8.484 ( 4.191 -6.759 1.273) 8.054 8.784 ( -4.647 6.058 1.782) 7.840 9.142 ( 0.551 -1.367 1.994) 2.479 13.954 ( -1.625 3.692 3.188) 5.142 14.647 ( -0.070 -9.457 4.181) 10.340 16.749 ( -8.427 7.433 -5.832) 12.660 17.226 ( 14.771 10.058 10.711) 20.834 17.629 ( -0.498 -0.718 -0.832) 1.207 18.103 ( -4.246 -11.017 -16.977) 20.679 ======================= Grid point 453 (96/124) ======================= q-point: (-0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -6.942 3.876 8.708) 11.792 2.082 ( -9.414 -4.555 8.922) 13.747 2.337 ( -0.432 2.042 -3.392) 3.982 2.507 ( -1.611 3.031 3.197) 4.691 2.662 ( 4.938 -0.268 4.613) 6.763 2.822 ( 0.469 -0.200 1.442) 1.529 2.889 ( -5.425 -1.625 3.506) 6.661 3.083 ( -1.137 -8.265 0.935) 8.395 3.357 ( -5.737 5.074 0.964) 7.719 3.663 ( 2.000 -0.158 4.725) 5.133 3.768 ( -0.443 2.084 -2.100) 2.991 3.858 ( 1.089 -5.113 -8.736) 10.181 4.009 ( -0.495 4.145 -10.330) 11.142 4.409 ( 0.025 -1.789 -11.351) 11.491 5.352 ( -6.272 -1.780 -3.769) 7.531 7.532 ( 4.056 0.793 2.154) 4.660 8.144 ( 2.503 0.238 -2.582) 3.604 8.208 ( 2.152 3.649 2.438) 4.888 8.488 ( 3.793 -6.363 1.227) 7.509 8.757 ( -4.950 5.258 1.797) 7.442 9.108 ( -2.186 -2.830 1.327) 3.814 13.956 ( -1.776 2.488 2.734) 4.101 14.481 ( -7.205 -8.935 3.895) 12.121 16.683 ( -5.861 4.224 -6.121) 9.469 17.557 ( -0.536 -4.577 5.927) 7.508 17.696 ( 16.209 7.552 6.686) 19.091 17.919 ( -2.371 -1.441 -19.654) 19.849 ======================= Grid point 454 (97/124) ======================= q-point: (-0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -9.722 -3.170 11.102) 15.094 1.904 ( -8.233 0.641 15.136) 17.242 2.317 ( -2.092 -1.815 -2.962) 4.055 2.464 ( -4.904 1.923 4.770) 7.106 2.646 ( -6.893 -0.534 6.338) 9.379 2.751 ( -4.275 2.173 7.759) 9.121 2.846 ( 2.499 -10.969 -2.551) 11.535 3.130 ( 8.587 2.908 0.299) 9.071 3.277 ( -7.224 7.161 0.018) 10.172 3.702 ( -1.155 -1.462 0.158) 1.870 3.708 ( -1.271 -6.632 -1.183) 6.856 3.882 ( 3.987 2.296 -8.065) 9.285 4.070 ( 2.095 4.176 -11.847) 12.735 4.381 ( -1.469 -1.291 -10.966) 11.139 5.209 ( -7.786 -1.379 -3.707) 8.733 7.634 ( 7.077 0.305 2.569) 7.535 8.205 ( 3.886 0.835 -2.418) 4.653 8.297 ( 2.847 5.006 2.554) 6.300 8.485 ( 2.803 -5.832 1.056) 6.557 8.718 ( -4.766 3.742 1.538) 6.252 9.008 ( -5.438 -3.699 0.905) 6.639 13.939 ( -1.728 0.216 2.375) 2.945 14.255 ( -9.975 -4.520 3.527) 11.506 16.630 ( -3.923 2.323 -6.271) 7.754 17.320 ( -14.387 -10.005 -4.565) 18.109 17.743 ( -0.560 -1.252 -0.975) 1.683 18.349 ( 26.845 12.106 -1.833) 29.505 ======================= Grid point 459 (98/124) ======================= q-point: ( 0.20 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 1.535 13.061 8.158) 15.475 2.034 ( 3.821 4.363 13.508) 14.700 2.342 ( 0.083 2.798 -1.459) 3.156 2.570 ( 2.910 1.325 5.939) 6.745 2.677 ( 0.623 -4.611 -1.998) 5.063 2.727 ( -4.671 5.380 -0.737) 7.163 2.883 ( 3.765 5.154 8.485) 10.617 3.068 ( 3.729 -5.695 -1.562) 6.985 3.459 ( 5.735 2.192 1.182) 6.252 3.624 ( -4.661 1.692 3.307) 5.960 3.724 ( -1.756 4.124 -2.110) 4.954 3.846 ( 1.252 -4.000 -7.128) 8.269 4.072 ( 0.584 -1.210 -12.243) 12.317 4.384 ( -0.154 -0.287 -10.826) 10.831 5.335 ( 3.548 5.876 -3.878) 7.884 7.530 ( -2.910 -3.099 2.666) 5.018 8.151 ( -1.118 -2.806 -2.665) 4.028 8.285 ( 0.352 -3.988 2.215) 4.576 8.389 ( -3.038 -1.914 1.222) 3.793 8.829 ( 3.385 3.769 1.505) 5.284 9.051 ( -0.191 3.464 1.853) 3.933 13.982 ( 0.746 3.629 2.766) 4.623 14.371 ( 3.072 4.938 4.405) 7.295 16.753 ( 5.299 5.687 -5.586) 9.572 17.366 ( -9.257 8.549 5.004) 13.558 17.705 ( -3.077 -2.110 0.989) 3.860 18.101 ( 3.849 -18.705 -13.995) 23.676 ======================= Grid point 460 (99/124) ======================= q-point: ( 0.30 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -1.917 11.441 7.822) 13.991 2.147 ( 3.178 6.937 8.653) 11.536 2.381 ( 1.787 2.241 -0.829) 2.984 2.519 ( -4.733 -0.088 3.092) 5.654 2.672 ( -4.153 2.470 -0.620) 4.872 2.788 ( 6.975 1.357 0.057) 7.105 2.969 ( 2.678 1.306 8.422) 8.933 3.077 ( 3.677 -8.828 -2.846) 9.977 3.439 ( -3.967 -3.310 1.415) 5.357 3.652 ( 1.710 3.686 3.159) 5.147 3.746 ( -0.000 3.584 -2.297) 4.257 3.840 ( 1.646 -2.752 -4.553) 5.569 4.074 ( -1.415 3.378 -11.635) 12.198 4.372 ( 0.709 -2.896 -11.072) 11.466 5.435 ( 2.350 3.141 -4.102) 5.676 7.474 ( -1.333 -0.783 2.696) 3.107 8.113 ( -0.659 -1.388 -2.568) 2.992 8.229 ( -3.192 -0.789 1.381) 3.566 8.351 ( 2.314 -5.286 1.948) 6.090 8.901 ( -0.564 5.255 1.380) 5.463 9.079 ( 1.500 0.231 2.436) 2.870 14.029 ( -1.378 6.260 3.241) 7.183 14.457 ( 5.930 -3.949 4.490) 8.422 16.922 ( 5.496 8.896 -1.090) 10.514 17.202 ( -14.604 5.484 6.066) 16.737 17.649 ( -0.826 -1.510 -0.603) 1.823 18.041 ( 5.677 -14.385 -17.587) 23.419 ======================= Grid point 461 (100/124) ======================= q-point: ( 0.40 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -4.026 8.654 6.721) 11.674 2.254 ( 2.021 3.326 5.911) 7.078 2.408 ( -2.391 -2.993 6.218) 7.303 2.493 ( -0.539 9.383 -2.849) 9.821 2.625 ( -5.197 6.143 -1.638) 8.211 2.855 ( 0.571 -6.005 -0.534) 6.056 2.976 ( 0.383 -0.721 8.309) 8.349 3.072 ( 4.817 -8.087 -1.446) 9.523 3.357 ( -0.163 -2.242 2.310) 3.223 3.687 ( -1.337 2.385 2.733) 3.866 3.773 ( -0.503 2.231 -3.450) 4.140 3.846 ( 1.820 -2.988 -2.990) 4.602 4.083 ( -3.268 5.599 -10.598) 12.424 4.360 ( 2.168 -3.917 -11.376) 12.226 5.471 ( -0.448 0.676 -4.202) 4.279 7.463 ( 0.241 0.232 2.586) 2.607 8.101 ( 0.159 -0.261 -2.939) 2.955 8.186 ( -1.439 1.133 2.006) 2.716 8.349 ( 3.702 -5.671 1.834) 7.016 8.916 ( -3.625 5.269 1.657) 6.607 9.104 ( 1.879 -1.772 2.196) 3.391 14.053 ( -3.510 6.791 3.424) 8.376 14.490 ( 5.495 -9.608 4.203) 11.839 16.997 ( -7.637 0.854 10.436) 12.960 17.167 ( 2.539 18.241 -6.115) 19.406 17.630 ( -0.505 -0.794 -0.692) 1.168 17.972 ( 3.701 -15.297 -16.535) 22.827 ======================= Grid point 463 (101/124) ======================= q-point: (-0.50 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -6.121 4.483 8.467) 11.369 2.209 ( -9.123 -3.837 5.725) 11.434 2.349 ( 0.090 1.333 1.533) 2.034 2.572 ( 1.913 0.863 3.328) 3.935 2.623 ( -3.205 6.545 -1.638) 7.469 2.809 ( -0.206 -0.571 -1.473) 1.593 2.932 ( -1.529 -5.103 3.710) 6.492 3.046 ( -0.314 -2.972 3.987) 4.982 3.415 ( 4.067 3.212 1.703) 5.455 3.661 ( -2.525 0.009 3.861) 4.614 3.792 ( 0.513 2.272 -4.540) 5.102 3.812 ( -1.450 -4.701 -4.095) 6.401 4.071 ( -2.738 3.232 -10.928) 11.720 4.370 ( 2.170 -1.975 -11.197) 11.575 5.433 ( -3.972 -0.349 -4.067) 5.695 7.483 ( 1.890 -0.012 2.477) 3.116 8.112 ( 1.266 0.047 -3.133) 3.380 8.209 ( 1.536 3.103 2.594) 4.326 8.363 ( 3.858 -4.790 1.492) 6.329 8.888 ( -4.685 3.804 1.796) 6.296 9.099 ( -0.069 -2.483 1.834) 3.088 14.039 ( -4.161 3.585 3.066) 6.291 14.455 ( 0.435 -7.126 4.343) 8.357 16.872 ( -9.355 4.252 -0.748) 10.304 17.412 ( 8.769 1.340 8.495) 12.282 17.622 ( 1.394 1.644 -2.542) 3.332 17.905 ( 2.342 -3.942 -18.284) 18.850 ======================= Grid point 471 (102/124) ======================= q-point: ( 0.30 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 2.611 4.469 7.341) 8.982 2.262 ( -0.862 1.116 6.179) 6.338 2.383 ( 1.015 0.019 7.171) 7.243 2.597 ( 1.831 6.981 -1.764) 7.429 2.752 ( 2.557 0.926 -0.232) 2.729 2.793 ( -0.967 -0.318 -5.686) 5.777 2.902 ( 0.840 -3.190 -2.715) 4.272 2.991 ( -2.490 -1.379 9.765) 10.171 3.332 ( -2.136 -4.646 2.834) 5.846 3.731 ( 2.122 3.211 2.262) 4.464 3.790 ( -1.370 0.673 -1.934) 2.464 3.802 ( 0.483 -1.249 -3.289) 3.551 4.166 ( 2.754 4.854 -11.267) 12.574 4.297 ( -2.324 -4.153 -11.152) 12.125 5.478 ( 0.644 1.086 -4.365) 4.544 7.465 ( -0.231 -0.220 2.695) 2.714 8.100 ( -0.125 -0.177 -3.555) 3.562 8.218 ( 0.651 0.026 2.400) 2.487 8.270 ( -1.999 -2.565 2.176) 3.913 8.988 ( 2.350 3.302 1.795) 4.432 9.065 ( -1.389 -1.514 2.040) 2.896 14.162 ( 3.426 6.268 3.499) 7.954 14.346 ( -3.342 -5.950 4.099) 7.960 17.007 ( 1.704 1.117 14.830) 14.969 17.415 ( 1.382 12.126 -10.227) 15.922 17.623 ( 1.107 -1.056 -1.432) 2.095 17.755 ( -4.239 -12.348 -16.034) 20.677 ======================= Grid point 545 (103/124) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.000 -0.000 14.879) 14.879 1.798 ( -0.000 -0.000 14.879) 14.879 2.104 ( 0.000 0.000 -8.362) 8.362 2.104 ( 0.000 -0.000 -8.362) 8.362 2.403 ( 0.000 0.000 3.243) 3.243 2.876 ( 0.000 -0.000 1.879) 1.879 3.194 ( 0.000 0.000 -1.316) 1.316 3.194 ( 0.000 0.000 -1.316) 1.316 3.236 ( 0.000 -0.000 12.498) 12.498 3.681 ( 0.000 0.000 -0.272) 0.272 3.681 ( 0.000 -0.000 -0.272) 0.272 3.890 ( 0.000 0.000 -8.470) 8.470 4.010 ( 0.000 0.000 -5.394) 5.394 4.010 ( 0.000 0.000 -5.394) 5.394 4.894 ( 0.000 -0.000 -1.433) 1.433 8.148 ( 0.000 0.000 1.761) 1.761 8.364 ( -0.000 0.000 -2.009) 2.009 8.499 ( 0.000 -0.000 1.248) 1.248 8.499 ( 0.000 -0.000 1.248) 1.248 8.573 ( -0.000 -0.000 -0.092) 0.092 8.573 ( 0.000 -0.000 -0.092) 0.092 13.920 ( 0.000 -0.000 0.897) 0.897 13.920 ( 0.000 0.000 0.897) 0.897 16.487 ( 0.000 -0.000 -2.214) 2.214 16.487 ( 0.000 -0.000 -2.214) 2.214 17.751 ( 0.000 0.000 0.053) 0.053 19.337 ( 0.000 0.000 -0.798) 0.798 ======================= Grid point 546 (104/124) ======================= q-point: ( 0.10 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.645 0.372 15.623) 15.641 1.956 ( 11.206 6.470 13.969) 19.041 2.113 ( 0.815 0.471 -6.621) 6.687 2.196 ( 7.272 4.199 -10.534) 13.471 2.469 ( 5.481 3.165 3.404) 7.187 2.848 ( -2.569 -1.483 0.815) 3.077 3.002 ( -8.258 -4.768 7.211) 11.955 3.216 ( 1.003 0.579 -3.550) 3.734 3.387 ( 4.483 2.588 7.105) 8.791 3.557 ( -7.039 -4.064 -4.423) 9.253 3.668 ( -0.516 -0.298 1.093) 1.244 3.874 ( -1.005 -0.580 -5.628) 5.746 4.005 ( -0.992 -0.573 -6.295) 6.399 4.093 ( 5.112 2.951 -4.750) 7.577 4.938 ( 3.698 2.135 -1.466) 4.515 7.992 ( -10.135 -5.851 1.754) 11.834 8.323 ( -2.801 -1.617 -1.891) 3.747 8.457 ( -3.426 -1.978 0.078) 3.956 8.527 ( 2.823 1.630 1.051) 3.425 8.589 ( 1.171 0.676 0.939) 1.646 8.724 ( 8.761 5.058 0.252) 10.120 13.918 ( 0.111 0.064 1.552) 1.557 13.994 ( 5.884 3.397 0.430) 6.808 16.497 ( 0.641 0.370 -2.746) 2.844 16.620 ( 10.961 6.328 -1.902) 12.798 17.745 ( -0.492 -0.284 0.008) 0.568 19.176 ( -13.281 -7.668 -0.681) 15.350 ======================= Grid point 547 (105/124) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 2.014 1.163 14.730) 14.913 2.140 ( 1.463 0.845 -5.009) 5.286 2.238 ( 11.038 6.373 13.739) 18.741 2.394 ( 8.369 4.832 -12.297) 15.640 2.640 ( 8.867 5.119 3.952) 10.975 2.724 ( -7.629 -4.404 4.438) 9.864 2.884 ( -1.891 -1.092 2.640) 3.426 3.241 ( 1.139 0.657 -5.454) 5.611 3.293 ( -6.242 -3.604 -0.230) 7.212 3.580 ( 4.437 2.562 2.583) 5.738 3.655 ( -0.690 -0.398 2.345) 2.476 3.851 ( -0.629 -0.363 -4.567) 4.625 3.962 ( -2.711 -1.565 -6.804) 7.490 4.194 ( 3.351 1.935 -4.476) 5.917 5.058 ( 6.333 3.656 -1.556) 7.476 7.765 ( -8.743 -5.048 1.883) 10.270 8.251 ( -3.274 -1.890 -2.086) 4.318 8.366 ( -4.192 -2.420 0.100) 4.842 8.599 ( 3.066 1.770 0.579) 3.587 8.607 ( 0.378 0.218 0.826) 0.934 8.915 ( 7.250 4.186 1.251) 8.464 13.925 ( 0.432 0.249 2.030) 2.090 14.182 ( 10.044 5.799 0.641) 11.616 16.515 ( 0.821 0.474 -3.201) 3.339 16.937 ( 14.731 8.505 -0.598) 17.020 17.730 ( -0.684 -0.395 -0.074) 0.793 18.767 ( -20.575 -11.879 -1.805) 23.827 ======================= Grid point 548 (106/124) ======================= q-point: ( 0.30 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 2.268 1.309 12.309) 12.585 2.178 ( 1.659 0.958 -3.692) 4.159 2.364 ( -0.969 -0.559 12.270) 12.321 2.507 ( -2.374 -1.370 -3.251) 4.252 2.630 ( 4.132 2.386 -4.292) 6.418 2.846 ( -1.446 -0.835 0.835) 1.866 2.861 ( 9.674 5.585 4.917) 12.205 3.261 ( 2.692 1.554 -1.376) 3.400 3.267 ( 1.013 0.585 -6.355) 6.462 3.637 ( -0.718 -0.414 2.918) 3.033 3.660 ( 2.769 1.598 3.750) 4.928 3.862 ( 1.703 0.984 -2.915) 3.517 3.879 ( -4.377 -2.527 -6.988) 8.624 4.249 ( 1.469 0.848 -4.632) 4.933 5.215 ( 6.710 3.874 -1.617) 7.915 7.599 ( -5.455 -3.150 1.748) 6.537 8.176 ( -3.027 -1.747 -2.076) 4.065 8.271 ( -3.806 -2.198 0.401) 4.413 8.608 ( -0.210 -0.121 0.515) 0.570 8.663 ( 2.348 1.356 0.440) 2.747 9.056 ( 4.918 2.839 1.794) 5.955 13.937 ( 0.561 0.324 2.149) 2.244 14.443 ( 11.900 6.870 1.241) 13.797 16.533 ( 0.693 0.400 -3.406) 3.499 17.223 ( 8.078 4.664 3.907) 10.112 17.709 ( -1.490 -0.860 0.251) 1.739 18.309 ( -16.385 -9.460 -6.561) 20.025 ======================= Grid point 549 (107/124) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 2.101 1.213 8.758) 9.088 2.210 ( 0.981 0.566 -2.678) 2.907 2.278 ( -3.651 -2.108 8.970) 9.911 2.468 ( -0.092 -0.053 -3.711) 3.713 2.645 ( -3.672 -2.120 -2.203) 4.778 2.905 ( 5.271 3.043 0.825) 6.142 3.066 ( 7.235 4.177 6.678) 10.696 3.285 ( 0.508 0.293 -5.703) 5.733 3.309 ( 0.425 0.245 -1.571) 1.646 3.627 ( -0.049 -0.028 1.813) 1.814 3.733 ( 3.279 1.893 2.810) 4.714 3.767 ( -4.938 -2.851 -6.938) 8.981 3.914 ( 2.201 1.271 -1.023) 2.740 4.268 ( 0.328 0.189 -4.769) 4.784 5.348 ( 4.319 2.493 -1.598) 5.237 7.510 ( -2.339 -1.351 1.271) 2.986 8.116 ( -2.001 -1.155 -1.753) 2.901 8.197 ( -2.351 -1.358 0.740) 2.814 8.602 ( -0.269 -0.155 0.232) 0.387 8.704 ( 1.185 0.684 0.623) 1.503 9.144 ( 2.696 1.557 1.576) 3.489 13.949 ( 0.494 0.285 1.878) 1.963 14.701 ( 9.296 5.367 1.673) 10.864 16.545 ( 0.300 0.173 -3.292) 3.310 17.262 ( -3.593 -2.074 7.467) 8.542 17.657 ( -2.002 -1.156 -0.231) 2.324 18.096 ( -2.950 -1.703 -9.531) 10.121 ======================= Grid point 550 (108/124) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 1.684 0.972 5.252) 5.600 2.219 ( -0.251 -0.145 -2.458) 2.475 2.260 ( 2.295 1.325 1.794) 3.200 2.463 ( -1.835 -1.060 -0.110) 2.122 2.572 ( -0.418 -0.242 0.833) 0.963 2.976 ( -0.170 -0.098 0.366) 0.416 3.152 ( -0.140 -0.081 8.920) 8.922 3.290 ( -0.833 -0.481 -4.538) 4.639 3.304 ( -0.113 -0.065 -0.745) 0.757 3.639 ( 1.349 0.779 -0.664) 1.693 3.685 ( -1.268 -0.732 -5.898) 6.077 3.777 ( 0.065 0.037 2.347) 2.349 3.945 ( 0.160 0.092 -0.919) 0.938 4.271 ( -0.036 -0.021 -4.781) 4.781 5.400 ( -0.043 -0.025 -1.514) 1.515 7.487 ( 0.303 0.175 0.577) 0.674 8.089 ( -0.270 -0.156 -1.191) 1.232 8.168 ( -0.097 -0.056 1.000) 1.007 8.599 ( 0.055 0.032 0.057) 0.086 8.716 ( -0.143 -0.083 0.974) 0.988 9.180 ( 0.390 0.225 0.789) 0.909 13.958 ( 0.273 0.158 1.333) 1.369 14.819 ( -0.045 -0.026 1.846) 1.847 16.546 ( -0.212 -0.122 -2.907) 2.917 17.224 ( 3.423 1.977 2.243) 4.545 17.634 ( -0.340 -0.196 -0.060) 0.398 18.047 ( -2.976 -1.718 -4.579) 5.725 ======================= Grid point 552 (109/124) ======================= q-point: (-0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 0.278 0.160 4.002) 4.015 2.202 ( -1.073 -0.619 -4.075) 4.259 2.304 ( -1.772 -1.023 5.994) 6.333 2.469 ( 5.948 3.434 -2.880) 7.447 2.612 ( 2.485 1.435 0.442) 2.904 2.906 ( -4.736 -2.734 0.556) 5.497 3.076 ( -6.437 -3.717 7.932) 10.871 3.227 ( -3.313 -1.913 -2.075) 4.352 3.298 ( -1.362 -0.786 -0.039) 1.573 3.680 ( 1.038 0.600 -2.439) 2.718 3.723 ( 4.524 2.612 -3.685) 6.393 3.745 ( -2.054 -1.186 1.742) 2.943 3.914 ( -2.708 -1.563 -1.309) 3.390 4.266 ( -0.425 -0.246 -4.618) 4.644 5.346 ( -4.374 -2.525 -1.424) 5.247 7.522 ( 2.763 1.595 0.024) 3.190 8.105 ( 1.583 0.914 -0.615) 1.929 8.193 ( 2.130 1.230 1.193) 2.734 8.605 ( 0.410 0.237 -0.036) 0.475 8.699 ( -1.359 -0.784 1.215) 1.985 9.161 ( -2.143 -1.237 -0.071) 2.475 13.961 ( -0.046 -0.026 0.711) 0.713 14.699 ( -9.365 -5.407 1.766) 10.957 16.536 ( -0.646 -0.373 -2.393) 2.506 17.420 ( 8.648 4.993 -8.715) 13.254 17.647 ( 3.136 1.811 1.464) 3.906 17.952 ( -3.136 -1.811 4.616) 5.867 ======================= Grid point 553 (110/124) ======================= q-point: (-0.30 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -2.024 -1.168 6.370) 6.785 2.177 ( -1.040 -0.600 -7.612) 7.706 2.225 ( -4.380 -2.529 13.319) 14.247 2.551 ( -2.924 -1.688 3.880) 5.143 2.737 ( 8.698 5.022 -13.899) 17.148 2.826 ( -0.644 -0.372 2.976) 3.068 2.875 ( -9.968 -5.755 4.407) 12.325 3.174 ( -1.278 -0.738 2.267) 2.705 3.222 ( -3.783 -2.184 2.574) 5.070 3.698 ( 0.519 0.299 -3.056) 3.114 3.712 ( -1.419 -0.819 -1.311) 2.099 3.835 ( 4.572 2.640 -2.897) 6.022 3.838 ( -2.851 -1.646 -0.525) 3.334 4.246 ( -1.428 -0.824 -4.432) 4.729 5.212 ( -6.699 -3.868 -1.390) 7.860 7.617 ( 5.487 3.168 -0.021) 6.336 8.158 ( 2.898 1.673 -0.297) 3.360 8.261 ( 3.564 2.058 1.384) 4.342 8.615 ( 0.403 0.233 -0.128) 0.482 8.656 ( -2.276 -1.314 1.169) 2.876 9.079 ( -4.912 -2.836 -0.553) 5.699 13.956 ( -0.377 -0.218 0.235) 0.495 14.438 ( -12.126 -7.001 1.625) 14.096 16.518 ( -0.832 -0.480 -1.937) 2.162 17.345 ( -12.395 -7.156 -8.827) 16.815 17.725 ( 0.250 0.144 -1.769) 1.793 18.176 ( 22.057 12.735 7.654) 26.594 ======================= Grid point 554 (111/124) ======================= q-point: (-0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -3.071 -1.773 9.626) 10.259 2.083 ( -7.917 -4.571 16.964) 19.270 2.150 ( -1.275 -0.736 -9.728) 9.839 2.408 ( -8.620 -4.977 -2.204) 10.194 2.645 ( -9.235 -5.332 3.657) 11.274 2.804 ( 0.831 0.480 -1.469) 1.754 2.921 ( 4.313 2.490 -1.492) 5.199 3.161 ( 0.084 0.048 2.488) 2.490 3.265 ( 8.522 4.920 1.440) 9.945 3.615 ( -6.567 -3.791 -0.817) 7.627 3.703 ( -0.133 -0.077 -2.496) 2.500 3.833 ( 1.659 0.958 -2.700) 3.310 3.926 ( 3.211 1.854 -3.387) 5.022 4.196 ( -3.018 -1.743 -4.675) 5.832 5.056 ( -6.278 -3.625 -1.415) 7.386 7.780 ( 8.463 4.886 0.457) 9.783 8.233 ( 3.481 2.010 -0.400) 4.040 8.350 ( 4.022 2.322 1.570) 4.902 8.596 ( -2.773 -1.601 0.859) 3.315 8.619 ( -0.190 -0.109 -0.260) 0.340 8.931 ( -7.792 -4.499 -0.445) 9.009 13.945 ( -0.593 -0.342 0.083) 0.690 14.172 ( -10.242 -5.913 1.624) 11.937 16.500 ( -0.694 -0.401 -1.715) 1.893 16.982 ( -16.922 -9.770 -5.218) 20.224 17.732 ( 0.513 0.296 -0.236) 0.637 18.730 ( 23.032 13.298 2.142) 26.681 ======================= Grid point 555 (112/124) ======================= q-point: (-0.10 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -2.605 -1.504 12.589) 12.943 1.888 ( -7.679 -4.433 16.731) 18.935 2.120 ( -1.179 -0.681 -9.614) 9.709 2.198 ( -7.759 -4.480 -6.763) 11.225 2.469 ( -5.530 -3.193 3.413) 7.240 2.848 ( 2.222 1.283 1.060) 2.776 3.036 ( 6.414 3.703 4.445) 8.638 3.173 ( 0.788 0.455 0.861) 1.253 3.415 ( -6.406 -3.698 4.348) 8.580 3.532 ( 8.436 4.870 -2.740) 10.118 3.694 ( -0.543 -0.313 -1.507) 1.632 3.872 ( 1.324 0.764 -5.515) 5.723 3.984 ( 1.791 1.034 -4.311) 4.781 4.102 ( -4.940 -2.852 -5.584) 7.983 4.938 ( -3.665 -2.116 -1.438) 4.470 7.999 ( 9.712 5.607 1.169) 11.275 8.314 ( 3.325 1.920 -1.059) 3.983 8.440 ( 3.522 2.033 1.669) 4.396 8.533 ( -2.450 -1.414 0.510) 2.874 8.603 ( -1.176 -0.679 -0.396) 1.414 8.725 ( -9.497 -5.483 0.141) 10.967 13.930 ( -0.568 -0.328 0.332) 0.735 13.983 ( -5.634 -3.253 1.461) 6.667 16.488 ( -0.290 -0.168 -1.818) 1.849 16.633 ( -11.745 -6.781 -3.173) 13.929 17.745 ( 0.482 0.278 0.002) 0.557 19.172 ( 13.874 8.010 -0.194) 16.022 ======================= Grid point 557 (113/124) ======================= q-point: ( 0.10 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -1.027 5.518 13.871) 14.964 2.092 ( 9.752 6.163 12.324) 16.881 2.153 ( 1.723 2.959 -5.495) 6.475 2.335 ( 4.405 8.713 -8.098) 12.685 2.590 ( 4.758 8.442 3.597) 10.337 2.790 ( -4.132 -3.318 0.023) 5.299 2.911 ( -4.066 -3.672 5.245) 7.584 3.218 ( 3.742 0.726 -2.017) 4.313 3.327 ( -5.117 -10.059 -0.179) 11.288 3.553 ( 2.172 6.006 1.132) 6.486 3.688 ( -1.262 1.351 -0.038) 1.849 3.844 ( -0.643 -2.436 -4.436) 5.101 3.966 ( 0.009 -2.687 -5.269) 5.914 4.171 ( 1.857 3.544 -4.652) 6.136 5.019 ( 3.370 5.745 -1.479) 6.823 7.829 ( -5.825 -8.979 1.284) 10.779 8.254 ( -1.722 -4.236 -1.236) 4.736 8.435 ( 0.662 -3.587 1.186) 3.836 8.481 ( -2.452 -0.241 0.164) 2.470 8.675 ( 2.267 4.060 0.431) 4.670 8.865 ( 3.923 8.019 0.327) 8.933 13.938 ( -0.094 1.551 1.055) 1.878 14.108 ( 5.260 7.986 1.039) 9.619 16.510 ( 1.419 1.165 -2.363) 2.992 16.857 ( 7.493 15.865 -2.907) 17.785 17.735 ( -0.383 -0.607 -0.096) 0.724 18.879 ( -10.949 -21.031 0.025) 23.711 ======================= Grid point 558 (114/124) ======================= q-point: ( 0.20 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.508 7.390 12.856) 14.838 2.195 ( 0.741 4.249 -5.272) 6.812 2.307 ( 6.782 0.293 13.414) 15.034 2.490 ( 5.157 4.683 -9.519) 11.796 2.642 ( -5.831 -2.747 1.877) 6.714 2.769 ( 4.140 4.149 4.335) 7.290 2.878 ( 1.538 3.146 1.909) 3.989 3.169 ( 0.016 -7.557 -3.330) 8.258 3.313 ( 1.901 5.585 -3.005) 6.621 3.627 ( 0.849 2.353 3.850) 4.591 3.684 ( -1.010 2.431 1.451) 3.006 3.818 ( 1.297 -2.949 -4.227) 5.315 3.923 ( -2.183 -1.895 -5.924) 6.591 4.225 ( 1.724 0.855 -4.444) 4.842 5.157 ( 5.231 5.905 -1.563) 8.042 7.655 ( -5.346 -5.333 1.479) 7.695 8.181 ( -1.664 -3.980 -1.559) 4.587 8.351 ( -5.724 -0.284 0.153) 5.733 8.487 ( 4.148 -5.510 0.947) 6.962 8.744 ( -0.288 6.242 0.266) 6.254 9.001 ( 4.484 4.140 1.221) 6.224 13.957 ( -0.384 2.752 1.704) 3.260 14.312 ( 9.248 6.568 1.163) 11.403 16.555 ( 0.786 3.720 -3.091) 4.900 17.152 ( 8.297 11.897 -0.060) 14.504 17.721 ( -0.693 -0.520 -0.094) 0.872 18.428 ( -14.301 -20.835 -2.376) 25.382 ======================= Grid point 559 (115/124) ======================= q-point: ( 0.30 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -1.306 8.925 10.074) 13.522 2.244 ( -0.848 5.076 -2.620) 5.775 2.324 ( -1.888 -1.744 9.921) 10.248 2.491 ( -3.715 0.123 -3.031) 4.796 2.655 ( 2.062 -0.427 -4.508) 4.976 2.807 ( 4.699 -1.074 2.507) 5.433 3.021 ( 4.951 7.247 5.156) 10.179 3.174 ( 6.433 -6.018 -4.129) 9.728 3.356 ( -3.077 3.640 -3.736) 6.056 3.664 ( 0.668 3.171 2.995) 4.413 3.699 ( 0.840 1.336 2.484) 2.943 3.804 ( -1.021 -3.137 -5.628) 6.524 3.888 ( 0.392 0.844 -2.901) 3.047 4.249 ( 1.186 -0.918 -4.646) 4.882 5.301 ( 4.721 4.330 -1.612) 6.605 7.542 ( -3.212 -2.375 1.345) 4.216 8.120 ( -1.227 -2.991 -1.557) 3.589 8.255 ( -4.695 -0.126 0.348) 4.710 8.497 ( 3.913 -6.389 0.768) 7.532 8.791 ( -1.973 6.923 0.188) 7.201 9.101 ( 3.655 1.500 1.584) 4.256 13.977 ( -1.036 3.628 1.856) 4.205 14.541 ( 11.262 2.143 1.546) 11.568 16.611 ( -0.973 7.791 -3.553) 8.618 17.307 ( -1.259 3.300 6.173) 7.112 17.683 ( -2.655 -1.792 0.357) 3.223 18.074 ( -3.549 -13.246 -8.597) 16.185 ======================= Grid point 560 (116/124) ======================= q-point: ( 0.40 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -2.799 9.713 7.262) 12.446 2.259 ( -1.032 3.283 0.631) 3.499 2.290 ( -3.016 4.348 1.715) 5.562 2.473 ( 0.332 0.511 -1.524) 1.642 2.596 ( -3.737 -2.430 -0.626) 4.501 2.920 ( 5.600 -1.280 0.168) 5.747 3.144 ( 2.259 2.613 7.695) 8.434 3.203 ( 5.389 -8.579 -1.921) 10.311 3.322 ( -2.557 1.595 -4.641) 5.534 3.678 ( -2.218 3.479 0.338) 4.140 3.708 ( -1.196 -1.087 -2.134) 2.677 3.787 ( 0.390 2.398 -1.137) 2.682 3.921 ( 1.718 -0.112 -1.020) 2.001 4.253 ( 0.979 -1.771 -4.738) 5.152 5.391 ( 1.827 1.642 -1.591) 2.927 7.493 ( -0.967 -0.337 0.885) 1.353 8.082 ( -0.297 -1.687 -1.307) 2.155 8.195 ( -2.350 0.664 0.725) 2.547 8.498 ( 3.812 -6.557 0.549) 7.604 8.813 ( -3.292 6.643 0.455) 7.428 9.157 ( 2.081 -0.300 1.159) 2.401 13.992 ( -1.650 3.914 1.579) 4.532 14.709 ( 8.267 -4.644 1.754) 9.643 16.669 ( -4.722 12.060 -3.580) 13.437 17.223 ( -3.606 -1.597 5.811) 7.024 17.637 ( -0.625 -0.844 -0.377) 1.115 17.996 ( 2.926 -8.306 -7.230) 11.394 ======================= Grid point 561 (117/124) ======================= q-point: (-0.50 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -3.771 7.855 5.182) 10.138 2.269 ( -4.188 4.569 -2.787) 6.796 2.321 ( 0.667 3.755 0.827) 3.903 2.448 ( -1.061 0.604 0.405) 1.286 2.579 ( 2.515 0.725 0.773) 2.729 2.915 ( -1.592 -5.590 0.753) 5.861 3.134 ( -1.007 -3.523 7.135) 8.021 3.202 ( -0.503 -6.238 0.482) 6.277 3.312 ( 0.464 2.299 -4.270) 4.871 3.684 ( 0.761 2.389 -1.425) 2.884 3.706 ( -0.312 2.123 -1.338) 2.529 3.786 ( -2.619 0.642 -0.416) 2.729 3.924 ( -0.630 -1.419 -1.423) 2.106 4.252 ( 0.966 -1.809 -4.649) 5.081 5.390 ( -2.408 -0.780 -1.513) 2.948 7.498 ( 1.285 0.790 0.347) 1.548 8.078 ( 1.189 -0.643 -0.918) 1.634 8.192 ( 0.348 2.168 1.062) 2.439 8.500 ( 3.895 -6.434 0.378) 7.531 8.810 ( -4.359 5.988 0.802) 7.449 9.165 ( -0.095 -1.693 0.375) 1.737 13.997 ( -2.079 3.541 1.068) 4.243 14.708 ( -0.190 -9.532 1.817) 9.706 16.658 ( -8.388 9.210 -2.462) 12.698 17.305 ( 10.148 6.544 -2.096) 12.255 17.628 ( 0.219 -0.541 0.579) 0.822 17.931 ( -0.312 -9.398 -1.178) 9.476 ======================= Grid point 562 (118/124) ======================= q-point: (-0.40 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -5.260 5.286 5.324) 9.162 2.231 ( -3.966 2.248 -4.081) 6.119 2.275 ( -3.664 -1.008 8.298) 9.127 2.552 ( 3.585 3.338 0.479) 4.922 2.637 ( 4.196 0.884 -6.137) 7.487 2.814 ( -1.976 -4.732 1.432) 5.324 3.037 ( -9.040 -0.791 6.392) 11.100 3.095 ( 0.722 -8.320 0.810) 8.391 3.341 ( -3.174 4.420 -1.705) 5.703 3.714 ( -0.620 1.679 -0.968) 2.035 3.732 ( -1.493 0.214 -0.148) 1.516 3.749 ( 3.040 -1.964 -2.158) 4.214 3.885 ( -1.889 0.093 -2.488) 3.125 4.246 ( 0.165 -1.450 -4.476) 4.708 5.299 ( -6.148 -1.876 -1.448) 6.589 7.554 ( 3.995 1.252 0.154) 4.189 8.110 ( 2.845 -0.087 -0.638) 2.917 8.246 ( 2.236 3.827 1.309) 4.622 8.503 ( 3.666 -6.346 0.231) 7.333 8.784 ( -5.010 5.130 0.911) 7.228 9.119 ( -2.748 -2.713 -0.191) 3.866 13.990 ( -2.237 2.472 0.597) 3.386 14.538 ( -7.594 -8.727 1.759) 11.702 16.597 ( -6.154 4.734 -2.092) 8.041 17.460 ( -5.360 -1.531 -9.679) 11.169 17.706 ( 4.574 2.900 -2.931) 6.158 17.907 ( 14.377 -0.622 9.667) 17.336 ======================= Grid point 563 (119/124) ======================= q-point: (-0.30 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -6.343 -0.832 9.595) 11.533 2.182 ( -4.006 1.305 0.186) 4.217 2.214 ( -4.711 2.363 5.971) 7.964 2.499 ( -6.310 -2.704 -1.264) 6.980 2.721 ( 2.068 -4.014 -4.666) 6.493 2.790 ( -1.152 -2.360 1.545) 3.047 2.867 ( -4.271 1.111 3.265) 5.490 3.120 ( 7.518 0.356 0.216) 7.530 3.281 ( -6.661 3.677 0.642) 7.636 3.677 ( -4.066 -3.124 -0.896) 5.205 3.710 ( -0.792 -0.088 -0.850) 1.165 3.785 ( 3.437 -0.446 -1.762) 3.888 3.906 ( 1.985 2.498 -4.171) 5.251 4.224 ( -1.522 -0.935 -4.397) 4.746 5.156 ( -7.728 -1.476 -1.450) 8.000 7.665 ( 7.383 1.124 0.536) 7.487 8.172 ( 4.086 0.265 -0.710) 4.156 8.338 ( 2.908 5.023 1.477) 5.989 8.496 ( 2.785 -6.213 0.059) 6.809 8.740 ( -5.057 3.569 0.692) 6.228 9.015 ( -5.829 -2.886 -0.174) 6.507 13.969 ( -2.000 0.754 0.502) 2.196 14.307 ( -10.506 -4.425 1.595) 11.511 16.545 ( -3.657 1.951 -2.092) 4.643 17.203 ( -16.179 -5.879 -5.286) 18.008 17.725 ( 0.342 -0.117 -0.590) 0.692 18.379 ( 27.395 6.713 2.834) 28.348 ======================= Grid point 568 (120/124) ======================= q-point: ( 0.20 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 1.046 9.864 9.023) 13.409 2.270 ( 4.414 0.887 0.286) 4.511 2.298 ( 1.975 1.875 5.420) 6.065 2.583 ( 1.873 3.599 -4.276) 5.895 2.609 ( -4.174 -1.142 -2.730) 5.117 2.768 ( -0.511 -0.651 2.996) 3.108 2.996 ( 0.122 -2.308 1.972) 3.038 3.054 ( 4.581 4.478 0.991) 6.482 3.414 ( 2.287 2.333 -3.549) 4.824 3.675 ( -2.000 2.069 2.422) 3.761 3.721 ( -0.051 0.985 1.065) 1.452 3.762 ( 1.754 -1.205 -3.127) 3.782 3.901 ( 0.195 0.091 -4.460) 4.465 4.228 ( -0.179 -0.492 -4.443) 4.474 5.279 ( 3.411 5.808 -1.547) 6.910 7.564 ( -2.512 -3.603 0.821) 4.468 8.111 ( -1.309 -2.836 -1.137) 3.324 8.318 ( -0.990 -3.330 0.947) 3.601 8.406 ( -1.996 -2.101 0.469) 2.936 8.849 ( 2.831 4.189 0.523) 5.083 9.075 ( 0.999 3.060 0.629) 3.280 14.023 ( 1.442 3.434 1.141) 3.895 14.433 ( 3.245 5.293 1.694) 6.435 16.663 ( 4.642 6.807 -2.720) 8.677 17.384 ( 0.586 10.477 -1.228) 10.565 17.713 ( -1.689 -0.180 -0.238) 1.715 17.973 ( -6.913 -23.301 -1.169) 24.333 ======================= Grid point 569 (121/124) ======================= q-point: ( 0.30 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -1.425 12.828 7.518) 14.937 2.310 ( -0.544 1.975 6.750) 7.054 2.364 ( 1.948 4.394 -0.509) 4.833 2.525 ( -5.527 3.380 -2.046) 6.794 2.624 ( -0.819 -1.977 -3.618) 4.204 2.799 ( 4.892 -0.353 0.902) 4.987 2.987 ( 6.395 -8.690 -2.425) 11.059 3.154 ( 0.504 2.386 6.232) 6.692 3.383 ( -3.402 -2.085 -5.032) 6.422 3.701 ( 1.296 1.283 1.383) 2.289 3.736 ( -0.275 2.363 1.187) 2.659 3.789 ( 1.419 1.237 -2.011) 2.755 3.921 ( 0.162 2.854 -3.429) 4.464 4.211 ( 0.415 -2.866 -4.624) 5.456 5.376 ( 2.300 2.978 -1.636) 4.103 7.507 ( -1.309 -1.038 0.862) 1.880 8.072 ( -0.554 -1.688 -1.272) 2.185 8.252 ( -3.415 -0.198 0.613) 3.476 8.379 ( 2.320 -5.121 0.867) 5.688 8.918 ( -0.678 5.595 0.325) 5.646 9.114 ( 1.853 -0.251 1.073) 2.155 14.077 ( -1.016 6.151 1.483) 6.408 14.520 ( 5.810 -4.020 1.701) 7.267 16.837 ( 3.148 13.832 -3.657) 14.649 17.353 ( -11.850 1.357 6.736) 13.698 17.638 ( -1.224 -2.746 -0.752) 3.099 17.798 ( 5.777 -13.588 -7.652) 16.631 ======================= Grid point 570 (122/124) ======================= q-point: ( 0.40 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -5.743 8.436 8.826) 13.492 2.370 ( 0.380 7.825 3.061) 8.411 2.418 ( -3.834 7.493 -3.319) 9.048 2.484 ( -1.357 0.270 1.779) 2.254 2.563 ( -2.288 0.184 -3.950) 4.568 2.852 ( 2.452 -5.353 0.351) 5.899 2.998 ( 5.250 -10.744 -1.659) 12.072 3.172 ( 1.503 0.240 7.168) 7.328 3.321 ( -0.300 -1.504 -4.888) 5.123 3.728 ( -1.479 2.616 0.778) 3.104 3.733 ( -1.085 1.620 0.185) 1.959 3.819 ( -0.010 0.282 -1.037) 1.075 3.945 ( -1.544 3.145 -3.165) 4.721 4.196 ( 2.069 -3.771 -4.620) 6.312 5.412 ( -0.314 0.506 -1.648) 1.752 7.493 ( 0.005 0.241 0.650) 0.693 8.058 ( 0.323 -0.727 -1.198) 1.438 8.217 ( -1.123 1.632 0.918) 2.184 8.375 ( 3.274 -5.430 0.696) 6.379 8.938 ( -3.373 5.493 0.584) 6.473 9.132 ( 1.529 -2.125 0.729) 2.718 14.102 ( -3.747 6.792 1.371) 7.878 14.550 ( 5.580 -9.772 1.710) 11.382 16.972 ( -11.276 15.115 -3.437) 19.168 17.221 ( 4.175 2.945 2.942) 5.895 17.622 ( -0.306 -0.891 -0.092) 0.946 17.766 ( 5.532 -14.018 -4.592) 15.754 ======================= Grid point 572 (123/124) ======================= q-point: (-0.50 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -5.621 6.487 5.952) 10.445 2.328 ( -7.157 -1.941 4.993) 8.940 2.361 ( -5.060 1.998 0.263) 5.446 2.546 ( 1.875 7.021 -5.027) 8.836 2.593 ( 2.421 0.672 -0.771) 2.628 2.801 ( -1.289 -4.055 0.788) 4.327 2.958 ( 2.920 -8.430 0.571) 8.940 3.166 ( -3.355 -0.343 5.530) 6.477 3.372 ( 3.924 2.666 -4.314) 6.413 3.705 ( -1.201 -0.278 0.273) 1.262 3.738 ( -0.934 0.849 1.155) 1.711 3.786 ( -2.932 -0.426 -1.468) 3.306 3.925 ( -2.629 1.060 -3.640) 4.613 4.210 ( 2.272 -1.701 -4.505) 5.324 5.376 ( -3.758 -0.460 -1.586) 4.104 7.511 ( 1.762 0.318 0.518) 1.864 8.070 ( 1.584 -0.154 -1.060) 1.912 8.247 ( 1.637 3.007 1.156) 3.614 8.383 ( 3.450 -4.630 0.451) 5.792 8.913 ( -4.646 3.618 0.784) 5.941 9.121 ( -0.400 -2.187 0.358) 2.252 14.081 ( -4.593 3.654 1.068) 5.966 14.518 ( 0.524 -6.976 1.823) 7.229 16.820 ( -13.056 5.254 -1.908) 14.203 17.493 ( 7.807 10.462 -7.902) 15.259 17.589 ( 5.492 -5.043 5.384) 9.197 17.722 ( 2.727 -7.531 -0.748) 8.045 ======================= Grid point 580 (124/124) ======================= q-point: ( 0.30 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 2.86e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 3.205 3.022 7.886) 9.033 2.419 ( -0.586 1.482 8.839) 8.982 2.462 ( 2.641 7.733 1.303) 8.275 2.559 ( -0.348 0.745 -2.006) 2.168 2.630 ( 2.937 1.160 -9.858) 10.351 2.767 ( -0.846 -2.340 1.023) 2.690 2.837 ( -2.730 -4.607 -2.800) 6.043 3.165 ( -0.959 -0.683 7.362) 7.456 3.303 ( -1.517 -3.410 -4.685) 5.990 3.747 ( 0.624 1.429 0.102) 1.562 3.771 ( 1.439 1.841 1.414) 2.731 3.810 ( -0.075 0.153 0.193) 0.257 4.004 ( 2.547 4.732 -4.579) 7.060 4.135 ( -2.373 -4.295 -4.620) 6.740 5.416 ( 0.569 0.974 -1.702) 2.042 7.496 ( -0.166 -0.218 0.679) 0.732 8.051 ( -0.230 -0.444 -1.280) 1.374 8.252 ( 0.323 0.280 0.928) 1.022 8.300 ( -1.562 -2.447 0.827) 3.018 9.012 ( 2.198 3.541 0.608) 4.212 9.092 ( -1.186 -1.741 0.683) 2.215 14.212 ( 3.684 6.533 1.411) 7.632 14.405 ( -3.559 -6.264 1.642) 7.389 17.125 ( 9.795 13.545 -0.912) 16.741 17.361 ( -8.939 -2.493 2.925) 9.730 17.507 ( 0.782 -8.953 -6.492) 11.086 17.625 ( -1.634 -2.120 -0.661) 2.757 =================== 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 3/29700 10.0 264.007 264.007 156.269 0.000 0.000 0.000 3/29700 20.0 25.482 25.482 22.747 0.000 0.000 0.000 3/29700 30.0 9.765 9.765 9.652 0.000 0.000 0.000 3/29700 40.0 5.924 5.924 6.071 0.000 0.000 0.000 3/29700 50.0 4.292 4.292 4.503 0.000 0.000 0.000 3/29700 60.0 3.392 3.392 3.625 0.000 0.000 0.000 3/29700 70.0 2.820 2.820 3.057 0.000 0.000 0.000 3/29700 80.0 2.425 2.425 2.655 0.000 0.000 0.000 3/29700 90.0 2.135 2.135 2.355 0.000 0.000 0.000 3/29700 100.0 1.914 1.914 2.121 0.000 0.000 0.000 3/29700 110.0 1.739 1.739 1.933 0.000 0.000 0.000 3/29700 120.0 1.597 1.597 1.781 0.000 0.000 0.000 3/29700 130.0 1.480 1.480 1.654 0.000 0.000 0.000 3/29700 140.0 1.381 1.381 1.548 0.000 0.000 0.000 3/29700 150.0 1.296 1.296 1.457 0.000 0.000 0.000 3/29700 160.0 1.223 1.223 1.379 0.000 0.000 0.000 3/29700 170.0 1.160 1.160 1.311 0.000 0.000 0.000 3/29700 180.0 1.103 1.103 1.251 0.000 0.000 0.000 3/29700 190.0 1.053 1.053 1.197 0.000 0.000 0.000 3/29700 200.0 1.007 1.007 1.150 0.000 0.000 0.000 3/29700 210.0 0.966 0.966 1.106 0.000 0.000 0.000 3/29700 220.0 0.929 0.929 1.067 0.000 0.000 0.000 3/29700 230.0 0.894 0.894 1.031 0.000 0.000 0.000 3/29700 240.0 0.863 0.863 0.997 0.000 0.000 0.000 3/29700 250.0 0.833 0.833 0.966 0.000 0.000 0.000 3/29700 260.0 0.806 0.806 0.937 0.000 0.000 0.000 3/29700 270.0 0.781 0.781 0.910 0.000 0.000 0.000 3/29700 280.0 0.757 0.757 0.885 0.000 0.000 0.000 3/29700 290.0 0.735 0.735 0.861 0.000 0.000 0.000 3/29700 300.0 0.714 0.714 0.838 0.000 0.000 0.000 3/29700 310.0 0.694 0.694 0.817 0.000 0.000 0.000 3/29700 320.0 0.675 0.675 0.797 0.000 0.000 0.000 3/29700 330.0 0.657 0.657 0.777 0.000 0.000 0.000 3/29700 340.0 0.640 0.640 0.759 0.000 0.000 0.000 3/29700 350.0 0.624 0.624 0.741 0.000 0.000 0.000 3/29700 360.0 0.609 0.609 0.725 0.000 0.000 0.000 3/29700 370.0 0.595 0.595 0.709 0.000 0.000 0.000 3/29700 380.0 0.581 0.581 0.693 0.000 0.000 0.000 3/29700 390.0 0.567 0.567 0.678 0.000 0.000 0.000 3/29700 400.0 0.555 0.555 0.664 0.000 0.000 0.000 3/29700 410.0 0.543 0.543 0.651 0.000 0.000 0.000 3/29700 420.0 0.531 0.531 0.638 0.000 0.000 0.000 3/29700 430.0 0.520 0.520 0.625 0.000 0.000 0.000 3/29700 440.0 0.509 0.509 0.613 0.000 0.000 0.000 3/29700 450.0 0.499 0.499 0.601 0.000 0.000 0.000 3/29700 460.0 0.489 0.489 0.590 0.000 0.000 0.000 3/29700 470.0 0.480 0.480 0.579 0.000 0.000 0.000 3/29700 480.0 0.471 0.471 0.569 0.000 0.000 0.000 3/29700 490.0 0.462 0.462 0.558 0.000 0.000 0.000 3/29700 500.0 0.453 0.453 0.549 0.000 0.000 0.000 3/29700 510.0 0.445 0.445 0.539 0.000 0.000 0.000 3/29700 520.0 0.437 0.437 0.530 0.000 0.000 0.000 3/29700 530.0 0.430 0.430 0.521 0.000 0.000 0.000 3/29700 540.0 0.422 0.422 0.513 0.000 0.000 0.000 3/29700 550.0 0.415 0.415 0.504 0.000 0.000 0.000 3/29700 560.0 0.408 0.408 0.496 0.000 0.000 0.000 3/29700 570.0 0.401 0.401 0.488 0.000 0.000 0.000 3/29700 580.0 0.395 0.395 0.481 0.000 0.000 0.000 3/29700 590.0 0.389 0.389 0.473 0.000 0.000 0.000 3/29700 600.0 0.383 0.383 0.466 0.000 0.000 0.000 3/29700 610.0 0.377 0.377 0.459 0.000 0.000 0.000 3/29700 620.0 0.371 0.371 0.453 0.000 0.000 0.000 3/29700 630.0 0.365 0.365 0.446 0.000 0.000 0.000 3/29700 640.0 0.360 0.360 0.440 0.000 0.000 0.000 3/29700 650.0 0.355 0.355 0.433 0.000 0.000 0.000 3/29700 660.0 0.350 0.350 0.427 0.000 0.000 0.000 3/29700 670.0 0.345 0.345 0.422 0.000 0.000 0.000 3/29700 680.0 0.340 0.340 0.416 0.000 0.000 0.000 3/29700 690.0 0.335 0.335 0.410 0.000 0.000 0.000 3/29700 700.0 0.331 0.331 0.405 0.000 0.000 0.000 3/29700 710.0 0.326 0.326 0.399 0.000 0.000 0.000 3/29700 720.0 0.322 0.322 0.394 0.000 0.000 0.000 3/29700 730.0 0.318 0.318 0.389 0.000 0.000 0.000 3/29700 740.0 0.314 0.314 0.384 0.000 0.000 0.000 3/29700 750.0 0.310 0.310 0.380 0.000 0.000 0.000 3/29700 760.0 0.306 0.306 0.375 0.000 0.000 0.000 3/29700 770.0 0.302 0.302 0.370 0.000 0.000 0.000 3/29700 780.0 0.298 0.298 0.366 0.000 0.000 0.000 3/29700 790.0 0.295 0.295 0.361 0.000 0.000 0.000 3/29700 800.0 0.291 0.291 0.357 0.000 0.000 0.000 3/29700 810.0 0.288 0.288 0.353 0.000 0.000 0.000 3/29700 820.0 0.284 0.284 0.349 0.000 0.000 0.000 3/29700 830.0 0.281 0.281 0.345 0.000 0.000 0.000 3/29700 840.0 0.278 0.278 0.341 0.000 0.000 0.000 3/29700 850.0 0.274 0.274 0.337 0.000 0.000 0.000 3/29700 860.0 0.271 0.271 0.334 0.000 0.000 0.000 3/29700 870.0 0.268 0.268 0.330 0.000 0.000 0.000 3/29700 880.0 0.265 0.265 0.326 0.000 0.000 0.000 3/29700 890.0 0.263 0.263 0.323 0.000 0.000 0.000 3/29700 900.0 0.260 0.260 0.319 0.000 0.000 0.000 3/29700 910.0 0.257 0.257 0.316 0.000 0.000 0.000 3/29700 920.0 0.254 0.254 0.313 0.000 0.000 0.000 3/29700 930.0 0.252 0.252 0.310 0.000 0.000 0.000 3/29700 940.0 0.249 0.249 0.306 0.000 0.000 0.000 3/29700 950.0 0.246 0.246 0.303 0.000 0.000 0.000 3/29700 960.0 0.244 0.244 0.300 0.000 0.000 0.000 3/29700 970.0 0.241 0.241 0.297 0.000 0.000 0.000 3/29700 980.0 0.239 0.239 0.294 0.000 0.000 0.000 3/29700 990.0 0.237 0.237 0.292 0.000 0.000 0.000 3/29700 1000.0 0.234 0.234 0.289 0.000 0.000 0.000 3/29700 Thermal conductivity related properties were written into "kappa-m101011.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:58:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|