----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:17:04]------------------------- 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: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.122741975179193 1.225565650789822 7.316203046666657 b -2.122741975179189 1.225565650789822 7.316203046666657 c 0.000000000000002 -2.451131301579648 7.316203046666657 Atomic positions (fractional): *1 P 0.50000000000000 0.50000000000000 0.50000000000000 30.974 *2 Ca 0.76955539714489 0.76955539714489 0.76955539714489 40.078 3 Ca 0.23044460285511 0.23044460285511 0.23044460285511 40.078 *4 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.245483950358382 0.000000000000000 0.000000000000000 b -2.122741975179191 3.676696952369471 0.000000000000000 c 0.000000000000000 0.000000000000000 21.948609139999995 Atomic positions (fractional): *1 P 0.33333333333333 0.66666666666667 0.16666666666667 30.974 > 1 2 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 > 1 3 P 0.66666666666667 0.33333333333333 0.83333333333333 30.974 > 1 *4 Ca 0.66666666666667 0.33333333333333 0.10288873047822 40.078 > 2 5 Ca 0.00000000000000 0.00000000000000 0.23044460285511 40.078 > 3 6 Ca 0.33333333333333 0.66666666666667 0.43622206381156 40.078 > 2 7 Ca 0.66666666666667 0.33333333333333 0.56377793618844 40.078 > 3 8 Ca 0.00000000000000 0.00000000000000 0.76955539714489 40.078 > 2 9 Ca 0.33333333333333 0.66666666666667 0.89711126952178 40.078 > 3 *10 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 > 4 11 I 0.66666666666667 0.33333333333333 0.33333333333333 126.904 > 4 12 I 0.33333333333333 0.66666666666667 0.66666666666667 126.904 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.736451851075147 0.000000000000000 0.000000000000000 b -6.368225925537573 11.030090857108412 0.000000000000000 c 0.000000000000000 0.000000000000000 21.948609139999995 Atomic positions (fractional): *1 P 0.11111111111111 0.22222222222222 0.16666666666667 30.974 > 1 2 P 0.44444444444444 0.22222222222222 0.16666666666667 30.974 > 1 3 P 0.77777777777778 0.22222222222222 0.16666666666667 30.974 > 1 4 P 0.11111111111111 0.55555555555556 0.16666666666667 30.974 > 1 5 P 0.44444444444444 0.55555555555556 0.16666666666667 30.974 > 1 6 P 0.77777777777778 0.55555555555556 0.16666666666667 30.974 > 1 7 P 0.11111111111111 0.88888888888889 0.16666666666667 30.974 > 1 8 P 0.44444444444444 0.88888888888889 0.16666666666667 30.974 > 1 9 P 0.77777777777778 0.88888888888889 0.16666666666667 30.974 > 1 10 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 > 1 11 P 0.33333333333333 0.00000000000000 0.50000000000000 30.974 > 1 12 P 0.66666666666667 0.00000000000000 0.50000000000000 30.974 > 1 13 P 0.00000000000000 0.33333333333333 0.50000000000000 30.974 > 1 14 P 0.33333333333333 0.33333333333333 0.50000000000000 30.974 > 1 15 P 0.66666666666667 0.33333333333333 0.50000000000000 30.974 > 1 16 P 0.00000000000000 0.66666666666667 0.50000000000000 30.974 > 1 17 P 0.33333333333333 0.66666666666667 0.50000000000000 30.974 > 1 18 P 0.66666666666667 0.66666666666667 0.50000000000000 30.974 > 1 19 P 0.22222222222222 0.11111111111111 0.83333333333333 30.974 > 1 20 P 0.55555555555556 0.11111111111111 0.83333333333333 30.974 > 1 21 P 0.88888888888889 0.11111111111111 0.83333333333333 30.974 > 1 22 P 0.22222222222222 0.44444444444444 0.83333333333333 30.974 > 1 23 P 0.55555555555556 0.44444444444444 0.83333333333333 30.974 > 1 24 P 0.88888888888889 0.44444444444444 0.83333333333333 30.974 > 1 25 P 0.22222222222222 0.77777777777778 0.83333333333333 30.974 > 1 26 P 0.55555555555556 0.77777777777778 0.83333333333333 30.974 > 1 27 P 0.88888888888889 0.77777777777778 0.83333333333333 30.974 > 1 *28 Ca 0.22222222222222 0.11111111111111 0.10288873047822 40.078 > 2 29 Ca 0.55555555555556 0.11111111111111 0.10288873047822 40.078 > 2 30 Ca 0.88888888888889 0.11111111111111 0.10288873047822 40.078 > 2 31 Ca 0.22222222222222 0.44444444444444 0.10288873047822 40.078 > 2 32 Ca 0.55555555555556 0.44444444444444 0.10288873047822 40.078 > 2 33 Ca 0.88888888888889 0.44444444444444 0.10288873047822 40.078 > 2 34 Ca 0.22222222222222 0.77777777777778 0.10288873047822 40.078 > 2 35 Ca 0.55555555555556 0.77777777777778 0.10288873047822 40.078 > 2 36 Ca 0.88888888888889 0.77777777777778 0.10288873047822 40.078 > 2 37 Ca 0.00000000000000 0.00000000000000 0.23044460285511 40.078 > 3 38 Ca 0.33333333333333 0.00000000000000 0.23044460285511 40.078 > 3 39 Ca 0.66666666666667 0.00000000000000 0.23044460285511 40.078 > 3 40 Ca 0.00000000000000 0.33333333333333 0.23044460285511 40.078 > 3 41 Ca 0.33333333333333 0.33333333333333 0.23044460285511 40.078 > 3 42 Ca 0.66666666666667 0.33333333333333 0.23044460285511 40.078 > 3 43 Ca 0.00000000000000 0.66666666666667 0.23044460285511 40.078 > 3 44 Ca 0.33333333333333 0.66666666666667 0.23044460285511 40.078 > 3 45 Ca 0.66666666666667 0.66666666666667 0.23044460285511 40.078 > 3 46 Ca 0.11111111111111 0.22222222222222 0.43622206381156 40.078 > 2 47 Ca 0.44444444444444 0.22222222222222 0.43622206381156 40.078 > 2 48 Ca 0.77777777777778 0.22222222222222 0.43622206381156 40.078 > 2 49 Ca 0.11111111111111 0.55555555555556 0.43622206381156 40.078 > 2 50 Ca 0.44444444444444 0.55555555555556 0.43622206381156 40.078 > 2 51 Ca 0.77777777777778 0.55555555555556 0.43622206381156 40.078 > 2 52 Ca 0.11111111111111 0.88888888888889 0.43622206381156 40.078 > 2 53 Ca 0.44444444444444 0.88888888888889 0.43622206381156 40.078 > 2 54 Ca 0.77777777777778 0.88888888888889 0.43622206381156 40.078 > 2 55 Ca 0.22222222222222 0.11111111111111 0.56377793618844 40.078 > 3 56 Ca 0.55555555555556 0.11111111111111 0.56377793618844 40.078 > 3 57 Ca 0.88888888888889 0.11111111111111 0.56377793618844 40.078 > 3 58 Ca 0.22222222222222 0.44444444444444 0.56377793618844 40.078 > 3 59 Ca 0.55555555555556 0.44444444444444 0.56377793618844 40.078 > 3 60 Ca 0.88888888888889 0.44444444444444 0.56377793618844 40.078 > 3 61 Ca 0.22222222222222 0.77777777777778 0.56377793618844 40.078 > 3 62 Ca 0.55555555555556 0.77777777777778 0.56377793618844 40.078 > 3 63 Ca 0.88888888888889 0.77777777777778 0.56377793618844 40.078 > 3 64 Ca 0.00000000000000 0.00000000000000 0.76955539714489 40.078 > 2 65 Ca 0.33333333333333 0.00000000000000 0.76955539714489 40.078 > 2 66 Ca 0.66666666666667 0.00000000000000 0.76955539714489 40.078 > 2 67 Ca 0.00000000000000 0.33333333333333 0.76955539714489 40.078 > 2 68 Ca 0.33333333333333 0.33333333333333 0.76955539714489 40.078 > 2 69 Ca 0.66666666666667 0.33333333333333 0.76955539714489 40.078 > 2 70 Ca 0.00000000000000 0.66666666666667 0.76955539714489 40.078 > 2 71 Ca 0.33333333333333 0.66666666666667 0.76955539714489 40.078 > 2 72 Ca 0.66666666666667 0.66666666666667 0.76955539714489 40.078 > 2 73 Ca 0.11111111111111 0.22222222222222 0.89711126952178 40.078 > 3 74 Ca 0.44444444444444 0.22222222222222 0.89711126952178 40.078 > 3 75 Ca 0.77777777777778 0.22222222222222 0.89711126952178 40.078 > 3 76 Ca 0.11111111111111 0.55555555555556 0.89711126952178 40.078 > 3 77 Ca 0.44444444444444 0.55555555555556 0.89711126952178 40.078 > 3 78 Ca 0.77777777777778 0.55555555555556 0.89711126952178 40.078 > 3 79 Ca 0.11111111111111 0.88888888888889 0.89711126952178 40.078 > 3 80 Ca 0.44444444444444 0.88888888888889 0.89711126952178 40.078 > 3 81 Ca 0.77777777777778 0.88888888888889 0.89711126952178 40.078 > 3 *82 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 > 4 83 I 0.33333333333333 0.00000000000000 0.00000000000000 126.904 > 4 84 I 0.66666666666667 0.00000000000000 0.00000000000000 126.904 > 4 85 I 0.00000000000000 0.33333333333333 0.00000000000000 126.904 > 4 86 I 0.33333333333333 0.33333333333333 0.00000000000000 126.904 > 4 87 I 0.66666666666667 0.33333333333333 0.00000000000000 126.904 > 4 88 I 0.00000000000000 0.66666666666667 0.00000000000000 126.904 > 4 89 I 0.33333333333333 0.66666666666667 0.00000000000000 126.904 > 4 90 I 0.66666666666667 0.66666666666667 0.00000000000000 126.904 > 4 91 I 0.22222222222222 0.11111111111111 0.33333333333333 126.904 > 4 92 I 0.55555555555556 0.11111111111111 0.33333333333333 126.904 > 4 93 I 0.88888888888889 0.11111111111111 0.33333333333333 126.904 > 4 94 I 0.22222222222222 0.44444444444444 0.33333333333333 126.904 > 4 95 I 0.55555555555556 0.44444444444444 0.33333333333333 126.904 > 4 96 I 0.88888888888889 0.44444444444444 0.33333333333333 126.904 > 4 97 I 0.22222222222222 0.77777777777778 0.33333333333333 126.904 > 4 98 I 0.55555555555556 0.77777777777778 0.33333333333333 126.904 > 4 99 I 0.88888888888889 0.77777777777778 0.33333333333333 126.904 > 4 100 I 0.11111111111111 0.22222222222222 0.66666666666667 126.904 > 4 101 I 0.44444444444444 0.22222222222222 0.66666666666667 126.904 > 4 102 I 0.77777777777778 0.22222222222222 0.66666666666667 126.904 > 4 103 I 0.11111111111111 0.55555555555556 0.66666666666667 126.904 > 4 104 I 0.44444444444444 0.55555555555556 0.66666666666667 126.904 > 4 105 I 0.77777777777778 0.55555555555556 0.66666666666667 126.904 > 4 106 I 0.11111111111111 0.88888888888889 0.66666666666667 126.904 > 4 107 I 0.44444444444444 0.88888888888889 0.66666666666667 126.904 > 4 108 I 0.77777777777778 0.88888888888889 0.66666666666667 126.904 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5667198 0.0000000 0.0000000 0.0000000 6.5667198 0.0000000 0.0000000 0.0000000 5.9704115 -------------------------- Born effective charges -------------------------- 1 P -3.4157883 0.0000000 0.0000000 0.0000000 -3.4157883 0.0000000 0.0000000 0.0000000 -2.4297895 2 Ca 2.3700743 -0.0000000 0.0000000 0.0000000 2.3700743 0.0000000 0.0000000 0.0000000 2.0598283 3 Ca 2.3700743 -0.0000000 0.0000000 0.0000000 2.3700743 0.0000000 0.0000000 0.0000000 2.0598283 4 I -1.3243603 -0.0000000 0.0000000 0.0000000 -1.3243603 0.0000000 0.0000000 0.0000000 -1.6898670 ---------------------------------------------------------------------------- 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: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 170 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: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.125 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.132 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 170 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: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:17:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:17:08]------------------------- 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): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.122741975179193 1.225565650789822 7.316203046666657 b -2.122741975179189 1.225565650789822 7.316203046666657 c 0.000000000000002 -2.451131301579648 7.316203046666657 Atomic positions (fractional): 1 P 0.50000000000000 0.50000000000000 0.50000000000000 30.974 2 Ca 0.76955539714489 0.76955539714489 0.76955539714489 40.078 3 Ca 0.23044460285511 0.23044460285511 0.23044460285511 40.078 4 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.736451851075147 0.000000000000000 0.000000000000000 b -6.368225925537573 11.030090857108412 0.000000000000000 c 0.000000000000000 0.000000000000000 21.948609139999995 Atomic positions (fractional): 1 P 0.11111111111111 0.22222222222222 0.16666666666667 30.974 > 1 2 P 0.44444444444444 0.22222222222222 0.16666666666667 30.974 > 1 3 P 0.77777777777778 0.22222222222222 0.16666666666667 30.974 > 1 4 P 0.11111111111111 0.55555555555556 0.16666666666667 30.974 > 1 5 P 0.44444444444444 0.55555555555556 0.16666666666667 30.974 > 1 6 P 0.77777777777778 0.55555555555556 0.16666666666667 30.974 > 1 7 P 0.11111111111111 0.88888888888889 0.16666666666667 30.974 > 1 8 P 0.44444444444444 0.88888888888889 0.16666666666667 30.974 > 1 9 P 0.77777777777778 0.88888888888889 0.16666666666667 30.974 > 1 10 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 > 1 11 P 0.33333333333333 0.00000000000000 0.50000000000000 30.974 > 1 12 P 0.66666666666667 0.00000000000000 0.50000000000000 30.974 > 1 13 P 0.00000000000000 0.33333333333333 0.50000000000000 30.974 > 1 14 P 0.33333333333333 0.33333333333333 0.50000000000000 30.974 > 1 15 P 0.66666666666667 0.33333333333333 0.50000000000000 30.974 > 1 16 P 0.00000000000000 0.66666666666667 0.50000000000000 30.974 > 1 17 P 0.33333333333333 0.66666666666667 0.50000000000000 30.974 > 1 18 P 0.66666666666667 0.66666666666667 0.50000000000000 30.974 > 1 19 P 0.22222222222222 0.11111111111111 0.83333333333333 30.974 > 1 20 P 0.55555555555556 0.11111111111111 0.83333333333333 30.974 > 1 21 P 0.88888888888889 0.11111111111111 0.83333333333333 30.974 > 1 22 P 0.22222222222222 0.44444444444444 0.83333333333333 30.974 > 1 23 P 0.55555555555556 0.44444444444444 0.83333333333333 30.974 > 1 24 P 0.88888888888889 0.44444444444444 0.83333333333333 30.974 > 1 25 P 0.22222222222222 0.77777777777778 0.83333333333333 30.974 > 1 26 P 0.55555555555556 0.77777777777778 0.83333333333333 30.974 > 1 27 P 0.88888888888889 0.77777777777778 0.83333333333333 30.974 > 1 28 Ca 0.22222222222222 0.11111111111111 0.10288873047822 40.078 > 28 29 Ca 0.55555555555556 0.11111111111111 0.10288873047822 40.078 > 28 30 Ca 0.88888888888889 0.11111111111111 0.10288873047822 40.078 > 28 31 Ca 0.22222222222222 0.44444444444444 0.10288873047822 40.078 > 28 32 Ca 0.55555555555556 0.44444444444444 0.10288873047822 40.078 > 28 33 Ca 0.88888888888889 0.44444444444444 0.10288873047822 40.078 > 28 34 Ca 0.22222222222222 0.77777777777778 0.10288873047822 40.078 > 28 35 Ca 0.55555555555556 0.77777777777778 0.10288873047822 40.078 > 28 36 Ca 0.88888888888889 0.77777777777778 0.10288873047822 40.078 > 28 37 Ca 0.00000000000000 0.00000000000000 0.23044460285511 40.078 > 37 38 Ca 0.33333333333333 0.00000000000000 0.23044460285511 40.078 > 37 39 Ca 0.66666666666667 0.00000000000000 0.23044460285511 40.078 > 37 40 Ca 0.00000000000000 0.33333333333333 0.23044460285511 40.078 > 37 41 Ca 0.33333333333333 0.33333333333333 0.23044460285511 40.078 > 37 42 Ca 0.66666666666667 0.33333333333333 0.23044460285511 40.078 > 37 43 Ca 0.00000000000000 0.66666666666667 0.23044460285511 40.078 > 37 44 Ca 0.33333333333333 0.66666666666667 0.23044460285511 40.078 > 37 45 Ca 0.66666666666667 0.66666666666667 0.23044460285511 40.078 > 37 46 Ca 0.11111111111111 0.22222222222222 0.43622206381156 40.078 > 28 47 Ca 0.44444444444444 0.22222222222222 0.43622206381156 40.078 > 28 48 Ca 0.77777777777778 0.22222222222222 0.43622206381156 40.078 > 28 49 Ca 0.11111111111111 0.55555555555556 0.43622206381156 40.078 > 28 50 Ca 0.44444444444444 0.55555555555556 0.43622206381156 40.078 > 28 51 Ca 0.77777777777778 0.55555555555556 0.43622206381156 40.078 > 28 52 Ca 0.11111111111111 0.88888888888889 0.43622206381156 40.078 > 28 53 Ca 0.44444444444444 0.88888888888889 0.43622206381156 40.078 > 28 54 Ca 0.77777777777778 0.88888888888889 0.43622206381156 40.078 > 28 55 Ca 0.22222222222222 0.11111111111111 0.56377793618844 40.078 > 37 56 Ca 0.55555555555556 0.11111111111111 0.56377793618844 40.078 > 37 57 Ca 0.88888888888889 0.11111111111111 0.56377793618844 40.078 > 37 58 Ca 0.22222222222222 0.44444444444444 0.56377793618844 40.078 > 37 59 Ca 0.55555555555556 0.44444444444444 0.56377793618844 40.078 > 37 60 Ca 0.88888888888889 0.44444444444444 0.56377793618844 40.078 > 37 61 Ca 0.22222222222222 0.77777777777778 0.56377793618844 40.078 > 37 62 Ca 0.55555555555556 0.77777777777778 0.56377793618844 40.078 > 37 63 Ca 0.88888888888889 0.77777777777778 0.56377793618844 40.078 > 37 64 Ca 0.00000000000000 0.00000000000000 0.76955539714489 40.078 > 28 65 Ca 0.33333333333333 0.00000000000000 0.76955539714489 40.078 > 28 66 Ca 0.66666666666667 0.00000000000000 0.76955539714489 40.078 > 28 67 Ca 0.00000000000000 0.33333333333333 0.76955539714489 40.078 > 28 68 Ca 0.33333333333333 0.33333333333333 0.76955539714489 40.078 > 28 69 Ca 0.66666666666667 0.33333333333333 0.76955539714489 40.078 > 28 70 Ca 0.00000000000000 0.66666666666667 0.76955539714489 40.078 > 28 71 Ca 0.33333333333333 0.66666666666667 0.76955539714489 40.078 > 28 72 Ca 0.66666666666667 0.66666666666667 0.76955539714489 40.078 > 28 73 Ca 0.11111111111111 0.22222222222222 0.89711126952178 40.078 > 37 74 Ca 0.44444444444444 0.22222222222222 0.89711126952178 40.078 > 37 75 Ca 0.77777777777778 0.22222222222222 0.89711126952178 40.078 > 37 76 Ca 0.11111111111111 0.55555555555556 0.89711126952178 40.078 > 37 77 Ca 0.44444444444444 0.55555555555556 0.89711126952178 40.078 > 37 78 Ca 0.77777777777778 0.55555555555556 0.89711126952178 40.078 > 37 79 Ca 0.11111111111111 0.88888888888889 0.89711126952178 40.078 > 37 80 Ca 0.44444444444444 0.88888888888889 0.89711126952178 40.078 > 37 81 Ca 0.77777777777778 0.88888888888889 0.89711126952178 40.078 > 37 82 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 > 82 83 I 0.33333333333333 0.00000000000000 0.00000000000000 126.904 > 82 84 I 0.66666666666667 0.00000000000000 0.00000000000000 126.904 > 82 85 I 0.00000000000000 0.33333333333333 0.00000000000000 126.904 > 82 86 I 0.33333333333333 0.33333333333333 0.00000000000000 126.904 > 82 87 I 0.66666666666667 0.33333333333333 0.00000000000000 126.904 > 82 88 I 0.00000000000000 0.66666666666667 0.00000000000000 126.904 > 82 89 I 0.33333333333333 0.66666666666667 0.00000000000000 126.904 > 82 90 I 0.66666666666667 0.66666666666667 0.00000000000000 126.904 > 82 91 I 0.22222222222222 0.11111111111111 0.33333333333333 126.904 > 82 92 I 0.55555555555556 0.11111111111111 0.33333333333333 126.904 > 82 93 I 0.88888888888889 0.11111111111111 0.33333333333333 126.904 > 82 94 I 0.22222222222222 0.44444444444444 0.33333333333333 126.904 > 82 95 I 0.55555555555556 0.44444444444444 0.33333333333333 126.904 > 82 96 I 0.88888888888889 0.44444444444444 0.33333333333333 126.904 > 82 97 I 0.22222222222222 0.77777777777778 0.33333333333333 126.904 > 82 98 I 0.55555555555556 0.77777777777778 0.33333333333333 126.904 > 82 99 I 0.88888888888889 0.77777777777778 0.33333333333333 126.904 > 82 100 I 0.11111111111111 0.22222222222222 0.66666666666667 126.904 > 82 101 I 0.44444444444444 0.22222222222222 0.66666666666667 126.904 > 82 102 I 0.77777777777778 0.22222222222222 0.66666666666667 126.904 > 82 103 I 0.11111111111111 0.55555555555556 0.66666666666667 126.904 > 82 104 I 0.44444444444444 0.55555555555556 0.66666666666667 126.904 > 82 105 I 0.77777777777778 0.55555555555556 0.66666666666667 126.904 > 82 106 I 0.11111111111111 0.88888888888889 0.66666666666667 126.904 > 82 107 I 0.44444444444444 0.88888888888889 0.66666666666667 126.904 > 82 108 I 0.77777777777778 0.88888888888889 0.66666666666667 126.904 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5667198 0.0000000 0.0000000 0.0000000 6.5667198 0.0000000 0.0000000 0.0000000 5.9704115 -------------------------- Born effective charges -------------------------- 1 P -3.4157883 0.0000000 0.0000000 0.0000000 -3.4157883 0.0000000 0.0000000 0.0000000 -2.4297895 2 Ca 2.3700743 -0.0000000 0.0000000 0.0000000 2.3700743 0.0000000 0.0000000 0.0000000 2.0598283 3 Ca 2.3700743 -0.0000000 0.0000000 0.0000000 2.3700743 0.0000000 0.0000000 0.0000000 2.0598283 4 I -1.3243603 -0.0000000 0.0000000 0.0000000 -1.3243603 0.0000000 0.0000000 0.0000000 -1.6898670 ---------------------------------------------------------------------------- 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[ 28, 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[ 82, 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: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:17:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:17:13]------------------------- 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): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.122741975179193 1.225565650789822 7.316203046666657 b -2.122741975179189 1.225565650789822 7.316203046666657 c 0.000000000000002 -2.451131301579648 7.316203046666657 Atomic positions (fractional): 1 P 0.50000000000000 0.50000000000000 0.50000000000000 30.974 2 Ca 0.76955539714489 0.76955539714489 0.76955539714489 40.078 3 Ca 0.23044460285511 0.23044460285511 0.23044460285511 40.078 4 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.736451851075147 0.000000000000000 0.000000000000000 b -6.368225925537573 11.030090857108412 0.000000000000000 c 0.000000000000000 0.000000000000000 21.948609139999995 Atomic positions (fractional): 1 P 0.11111111111111 0.22222222222222 0.16666666666667 30.974 > 1 2 P 0.44444444444444 0.22222222222222 0.16666666666667 30.974 > 1 3 P 0.77777777777778 0.22222222222222 0.16666666666667 30.974 > 1 4 P 0.11111111111111 0.55555555555556 0.16666666666667 30.974 > 1 5 P 0.44444444444444 0.55555555555556 0.16666666666667 30.974 > 1 6 P 0.77777777777778 0.55555555555556 0.16666666666667 30.974 > 1 7 P 0.11111111111111 0.88888888888889 0.16666666666667 30.974 > 1 8 P 0.44444444444444 0.88888888888889 0.16666666666667 30.974 > 1 9 P 0.77777777777778 0.88888888888889 0.16666666666667 30.974 > 1 10 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 > 1 11 P 0.33333333333333 0.00000000000000 0.50000000000000 30.974 > 1 12 P 0.66666666666667 0.00000000000000 0.50000000000000 30.974 > 1 13 P 0.00000000000000 0.33333333333333 0.50000000000000 30.974 > 1 14 P 0.33333333333333 0.33333333333333 0.50000000000000 30.974 > 1 15 P 0.66666666666667 0.33333333333333 0.50000000000000 30.974 > 1 16 P 0.00000000000000 0.66666666666667 0.50000000000000 30.974 > 1 17 P 0.33333333333333 0.66666666666667 0.50000000000000 30.974 > 1 18 P 0.66666666666667 0.66666666666667 0.50000000000000 30.974 > 1 19 P 0.22222222222222 0.11111111111111 0.83333333333333 30.974 > 1 20 P 0.55555555555556 0.11111111111111 0.83333333333333 30.974 > 1 21 P 0.88888888888889 0.11111111111111 0.83333333333333 30.974 > 1 22 P 0.22222222222222 0.44444444444444 0.83333333333333 30.974 > 1 23 P 0.55555555555556 0.44444444444444 0.83333333333333 30.974 > 1 24 P 0.88888888888889 0.44444444444444 0.83333333333333 30.974 > 1 25 P 0.22222222222222 0.77777777777778 0.83333333333333 30.974 > 1 26 P 0.55555555555556 0.77777777777778 0.83333333333333 30.974 > 1 27 P 0.88888888888889 0.77777777777778 0.83333333333333 30.974 > 1 28 Ca 0.22222222222222 0.11111111111111 0.10288873047822 40.078 > 28 29 Ca 0.55555555555556 0.11111111111111 0.10288873047822 40.078 > 28 30 Ca 0.88888888888889 0.11111111111111 0.10288873047822 40.078 > 28 31 Ca 0.22222222222222 0.44444444444444 0.10288873047822 40.078 > 28 32 Ca 0.55555555555556 0.44444444444444 0.10288873047822 40.078 > 28 33 Ca 0.88888888888889 0.44444444444444 0.10288873047822 40.078 > 28 34 Ca 0.22222222222222 0.77777777777778 0.10288873047822 40.078 > 28 35 Ca 0.55555555555556 0.77777777777778 0.10288873047822 40.078 > 28 36 Ca 0.88888888888889 0.77777777777778 0.10288873047822 40.078 > 28 37 Ca 0.00000000000000 0.00000000000000 0.23044460285511 40.078 > 37 38 Ca 0.33333333333333 0.00000000000000 0.23044460285511 40.078 > 37 39 Ca 0.66666666666667 0.00000000000000 0.23044460285511 40.078 > 37 40 Ca 0.00000000000000 0.33333333333333 0.23044460285511 40.078 > 37 41 Ca 0.33333333333333 0.33333333333333 0.23044460285511 40.078 > 37 42 Ca 0.66666666666667 0.33333333333333 0.23044460285511 40.078 > 37 43 Ca 0.00000000000000 0.66666666666667 0.23044460285511 40.078 > 37 44 Ca 0.33333333333333 0.66666666666667 0.23044460285511 40.078 > 37 45 Ca 0.66666666666667 0.66666666666667 0.23044460285511 40.078 > 37 46 Ca 0.11111111111111 0.22222222222222 0.43622206381156 40.078 > 28 47 Ca 0.44444444444444 0.22222222222222 0.43622206381156 40.078 > 28 48 Ca 0.77777777777778 0.22222222222222 0.43622206381156 40.078 > 28 49 Ca 0.11111111111111 0.55555555555556 0.43622206381156 40.078 > 28 50 Ca 0.44444444444444 0.55555555555556 0.43622206381156 40.078 > 28 51 Ca 0.77777777777778 0.55555555555556 0.43622206381156 40.078 > 28 52 Ca 0.11111111111111 0.88888888888889 0.43622206381156 40.078 > 28 53 Ca 0.44444444444444 0.88888888888889 0.43622206381156 40.078 > 28 54 Ca 0.77777777777778 0.88888888888889 0.43622206381156 40.078 > 28 55 Ca 0.22222222222222 0.11111111111111 0.56377793618844 40.078 > 37 56 Ca 0.55555555555556 0.11111111111111 0.56377793618844 40.078 > 37 57 Ca 0.88888888888889 0.11111111111111 0.56377793618844 40.078 > 37 58 Ca 0.22222222222222 0.44444444444444 0.56377793618844 40.078 > 37 59 Ca 0.55555555555556 0.44444444444444 0.56377793618844 40.078 > 37 60 Ca 0.88888888888889 0.44444444444444 0.56377793618844 40.078 > 37 61 Ca 0.22222222222222 0.77777777777778 0.56377793618844 40.078 > 37 62 Ca 0.55555555555556 0.77777777777778 0.56377793618844 40.078 > 37 63 Ca 0.88888888888889 0.77777777777778 0.56377793618844 40.078 > 37 64 Ca 0.00000000000000 0.00000000000000 0.76955539714489 40.078 > 28 65 Ca 0.33333333333333 0.00000000000000 0.76955539714489 40.078 > 28 66 Ca 0.66666666666667 0.00000000000000 0.76955539714489 40.078 > 28 67 Ca 0.00000000000000 0.33333333333333 0.76955539714489 40.078 > 28 68 Ca 0.33333333333333 0.33333333333333 0.76955539714489 40.078 > 28 69 Ca 0.66666666666667 0.33333333333333 0.76955539714489 40.078 > 28 70 Ca 0.00000000000000 0.66666666666667 0.76955539714489 40.078 > 28 71 Ca 0.33333333333333 0.66666666666667 0.76955539714489 40.078 > 28 72 Ca 0.66666666666667 0.66666666666667 0.76955539714489 40.078 > 28 73 Ca 0.11111111111111 0.22222222222222 0.89711126952178 40.078 > 37 74 Ca 0.44444444444444 0.22222222222222 0.89711126952178 40.078 > 37 75 Ca 0.77777777777778 0.22222222222222 0.89711126952178 40.078 > 37 76 Ca 0.11111111111111 0.55555555555556 0.89711126952178 40.078 > 37 77 Ca 0.44444444444444 0.55555555555556 0.89711126952178 40.078 > 37 78 Ca 0.77777777777778 0.55555555555556 0.89711126952178 40.078 > 37 79 Ca 0.11111111111111 0.88888888888889 0.89711126952178 40.078 > 37 80 Ca 0.44444444444444 0.88888888888889 0.89711126952178 40.078 > 37 81 Ca 0.77777777777778 0.88888888888889 0.89711126952178 40.078 > 37 82 I 0.00000000000000 0.00000000000000 0.00000000000000 126.904 > 82 83 I 0.33333333333333 0.00000000000000 0.00000000000000 126.904 > 82 84 I 0.66666666666667 0.00000000000000 0.00000000000000 126.904 > 82 85 I 0.00000000000000 0.33333333333333 0.00000000000000 126.904 > 82 86 I 0.33333333333333 0.33333333333333 0.00000000000000 126.904 > 82 87 I 0.66666666666667 0.33333333333333 0.00000000000000 126.904 > 82 88 I 0.00000000000000 0.66666666666667 0.00000000000000 126.904 > 82 89 I 0.33333333333333 0.66666666666667 0.00000000000000 126.904 > 82 90 I 0.66666666666667 0.66666666666667 0.00000000000000 126.904 > 82 91 I 0.22222222222222 0.11111111111111 0.33333333333333 126.904 > 82 92 I 0.55555555555556 0.11111111111111 0.33333333333333 126.904 > 82 93 I 0.88888888888889 0.11111111111111 0.33333333333333 126.904 > 82 94 I 0.22222222222222 0.44444444444444 0.33333333333333 126.904 > 82 95 I 0.55555555555556 0.44444444444444 0.33333333333333 126.904 > 82 96 I 0.88888888888889 0.44444444444444 0.33333333333333 126.904 > 82 97 I 0.22222222222222 0.77777777777778 0.33333333333333 126.904 > 82 98 I 0.55555555555556 0.77777777777778 0.33333333333333 126.904 > 82 99 I 0.88888888888889 0.77777777777778 0.33333333333333 126.904 > 82 100 I 0.11111111111111 0.22222222222222 0.66666666666667 126.904 > 82 101 I 0.44444444444444 0.22222222222222 0.66666666666667 126.904 > 82 102 I 0.77777777777778 0.22222222222222 0.66666666666667 126.904 > 82 103 I 0.11111111111111 0.55555555555556 0.66666666666667 126.904 > 82 104 I 0.44444444444444 0.55555555555556 0.66666666666667 126.904 > 82 105 I 0.77777777777778 0.55555555555556 0.66666666666667 126.904 > 82 106 I 0.11111111111111 0.88888888888889 0.66666666666667 126.904 > 82 107 I 0.44444444444444 0.88888888888889 0.66666666666667 126.904 > 82 108 I 0.77777777777778 0.88888888888889 0.66666666666667 126.904 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5667198 0.0000000 0.0000000 0.0000000 6.5667198 0.0000000 0.0000000 0.0000000 5.9704115 -------------------------- Born effective charges -------------------------- 1 P -3.4157883 0.0000000 0.0000000 0.0000000 -3.4157883 0.0000000 0.0000000 0.0000000 -2.4297895 2 Ca 2.3700743 -0.0000000 0.0000000 0.0000000 2.3700743 0.0000000 0.0000000 0.0000000 2.0598283 3 Ca 2.3700743 -0.0000000 0.0000000 0.0000000 2.3700743 0.0000000 0.0000000 0.0000000 2.0598283 4 I -1.3243603 -0.0000000 0.0000000 0.0000000 -1.3243603 0.0000000 0.0000000 0.0000000 -1.6898670 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 14 14 14 ] 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: 0.86, Number of G-points: 313, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/288) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.552 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/288) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 20.651 11.923 -2.083) 23.937 0.473 ( 20.620 11.905 -0.612) 23.817 0.881 ( 33.925 19.587 10.539) 40.566 2.171 ( 3.795 2.191 1.485) 4.627 2.486 ( 14.377 8.300 -7.422) 18.184 3.182 ( -3.809 -2.199 3.501) 5.622 4.915 ( -1.114 -0.643 0.573) 1.408 4.996 ( 5.221 3.014 4.467) 7.503 7.177 ( -7.603 -4.389 -1.470) 8.901 7.532 ( -2.775 -1.602 5.313) 6.205 7.670 ( 0.363 0.210 0.558) 0.698 9.801 ( -1.779 -1.027 -15.468) 15.603 ======================= Grid point 2 (3/288) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 17.971 10.376 -1.413) 20.799 0.908 ( 20.135 11.625 -4.609) 23.703 1.525 ( 20.356 11.752 8.969) 25.158 2.312 ( 8.304 4.794 2.606) 9.937 2.928 ( 23.335 13.473 -8.184) 28.161 3.112 ( 0.963 0.556 -1.660) 1.998 4.880 ( -2.182 -1.260 0.823) 2.651 5.166 ( 7.283 4.205 9.154) 12.430 6.938 ( -12.753 -7.363 -0.787) 14.747 7.460 ( -5.252 -3.032 5.808) 8.397 7.683 ( 0.513 0.296 0.804) 0.999 9.669 ( -5.734 -3.310 -13.468) 15.007 ======================= Grid point 3 (4/288) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 13.395 7.734 -1.933) 15.588 1.328 ( 18.903 10.914 -7.215) 22.989 1.888 ( 10.904 6.295 5.549) 13.759 2.562 ( 13.025 7.520 2.759) 15.291 3.013 ( -0.181 -0.105 -0.871) 0.896 3.619 ( 30.089 17.372 -10.148) 36.196 4.823 ( -3.129 -1.806 0.734) 3.687 5.354 ( 5.620 3.244 13.487) 14.967 6.634 ( -13.454 -7.768 0.975) 15.566 7.338 ( -6.884 -3.974 3.647) 8.745 7.696 ( 0.389 0.224 0.625) 0.769 9.463 ( -8.543 -4.932 -13.473) 16.698 ======================= Grid point 4 (5/288) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 8.754 5.054 -1.715) 10.252 1.703 ( 16.482 9.516 -7.939) 20.621 2.079 ( 5.509 3.180 1.745) 6.596 2.895 ( 15.373 8.875 1.757) 17.837 3.080 ( 6.381 3.684 3.610) 8.205 4.176 ( 21.224 12.254 -11.087) 26.899 4.747 ( -3.828 -2.210 0.560) 4.455 5.471 ( -0.443 -0.256 15.276) 15.284 6.392 ( -7.162 -4.135 1.777) 8.459 7.188 ( -6.595 -3.808 0.151) 7.617 7.703 ( 0.142 0.082 0.202) 0.260 9.210 ( -9.936 -5.736 -11.949) 16.565 ======================= Grid point 5 (6/288) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 5.262 3.038 -1.130) 6.181 2.001 ( 11.442 6.606 -5.680) 14.381 2.174 ( 3.554 2.052 -0.064) 4.104 3.232 ( 13.715 7.919 0.422) 15.843 3.322 ( 13.356 7.711 5.738) 16.455 4.475 ( 8.533 4.926 -7.420) 12.334 4.659 ( -3.993 -2.305 0.512) 4.639 5.392 ( -10.733 -6.197 12.510) 17.609 6.358 ( 3.450 1.992 -1.009) 4.109 7.063 ( -4.006 -2.313 -1.639) 4.907 7.705 ( -0.017 -0.010 -0.131) 0.132 8.958 ( -9.135 -5.274 -8.249) 13.390 ======================= Grid point 6 (7/288) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 2.513 1.451 -0.538) 2.951 2.147 ( 3.001 1.733 -1.394) 3.736 2.271 ( 4.773 2.756 -1.224) 5.646 3.486 ( 8.334 4.812 -0.279) 9.628 3.677 ( 15.253 8.806 3.692) 17.995 4.565 ( 2.238 1.292 -1.374) 2.927 4.580 ( -2.931 -1.692 0.439) 3.413 5.110 ( -15.422 -8.904 5.349) 18.594 6.469 ( 5.360 3.095 -3.032) 6.892 7.002 ( -1.252 -0.723 -0.895) 1.700 7.703 ( -0.038 -0.022 -0.176) 0.181 8.768 ( -5.629 -3.250 -3.682) 7.470 ======================= Grid point 7 (8/288) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 -0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.896 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 0.000) 0.000 4.882 ( -0.000 -0.000 0.000) 0.000 6.530 ( 0.000 0.000 -0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 8.697 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 16 (9/288) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 0.000 24.027 7.566) 25.190 0.533 ( 0.000 23.172 11.201) 25.737 0.866 ( 0.000 37.164 8.612) 38.149 2.145 ( -0.000 3.346 -3.845) 5.098 2.487 ( -0.000 19.506 -6.189) 20.464 3.211 ( 0.000 -6.735 7.923) 10.399 4.908 ( -0.000 -1.589 -0.838) 1.796 4.971 ( -0.000 4.337 -0.179) 4.341 7.168 ( -0.000 -8.871 -2.846) 9.316 7.545 ( 0.000 -4.048 7.373) 8.411 7.667 ( -0.000 0.242 -0.183) 0.303 9.768 ( -0.000 3.935 -20.417) 20.793 ======================= Grid point 17 (10/288) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 5.909 18.799 7.271) 21.004 0.911 ( 8.821 24.135 0.579) 25.703 1.387 ( 16.402 20.915 10.104) 28.435 2.241 ( 6.998 5.789 -2.529) 9.428 2.792 ( 11.447 27.402 -5.600) 30.220 3.123 ( -3.635 -4.666 0.039) 5.915 4.931 ( -0.276 0.949 -1.546) 1.835 5.050 ( 7.617 0.705 5.249) 9.278 7.000 ( -6.305 -11.896 -2.591) 13.711 7.500 ( -2.547 -5.893 7.654) 9.990 7.690 ( 1.362 1.146 0.679) 1.906 9.685 ( -4.903 -0.961 -14.686) 15.513 ======================= Grid point 18 (11/288) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 11.244 12.807 2.075) 17.168 1.276 ( 8.829 20.893 -3.540) 22.956 1.795 ( 11.240 9.561 7.238) 16.436 2.472 ( 10.878 11.123 0.356) 15.562 3.021 ( -2.302 -0.997 -2.938) 3.863 3.342 ( 21.724 25.802 -7.234) 34.496 4.898 ( -4.454 2.391 -1.176) 5.190 5.244 ( 11.795 -2.354 10.510) 15.972 6.734 ( -9.642 -12.404 -0.967) 15.740 7.398 ( -4.723 -6.964 6.047) 10.362 7.726 ( -0.053 2.905 1.352) 3.205 9.501 ( -7.880 -4.477 -14.034) 16.706 ======================= Grid point 19 (12/288) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 10.528 8.083 -0.338) 13.278 1.592 ( 9.162 16.567 -5.975) 19.852 2.022 ( 6.344 4.398 2.757) 8.197 2.808 ( 11.936 16.586 1.759) 20.511 3.022 ( 3.820 0.986 0.366) 3.962 3.910 ( 21.371 18.137 -9.185) 29.497 4.829 ( -5.619 1.830 -0.994) 5.993 5.431 ( 8.331 -3.926 13.123) 16.032 6.468 ( -8.090 -9.110 0.940) 12.220 7.252 ( -6.164 -6.472 2.627) 9.315 7.750 ( -1.771 4.306 1.180) 4.803 9.256 ( -8.810 -7.212 -13.053) 17.321 ======================= Grid point 20 (13/288) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 6.601 5.733 -0.673) 8.769 1.872 ( 10.192 11.172 -6.132) 16.318 2.134 ( 3.583 1.907 0.188) 4.063 3.154 ( 9.549 10.964 -0.417) 14.546 3.202 ( 11.497 11.483 5.419) 17.129 4.309 ( 13.915 7.844 -7.316) 17.569 4.742 ( -5.863 1.002 -0.949) 6.023 5.484 ( -1.862 -7.009 11.850) 13.894 6.338 ( -0.608 -1.959 0.808) 2.205 7.101 ( -5.093 -4.707 -0.671) 6.968 7.758 ( -2.914 4.884 0.596) 5.719 8.998 ( -7.688 -8.435 -9.919) 15.121 ======================= Grid point 21 (14/288) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 2.936 4.465 -0.568) 5.373 2.085 ( 6.610 4.713 -3.596) 8.879 2.209 ( 4.253 1.748 -0.688) 4.650 3.421 ( 12.114 7.325 -1.306) 14.217 3.532 ( 9.104 13.593 4.880) 17.073 4.501 ( 6.128 2.399 -2.395) 7.003 4.652 ( -5.076 0.470 -0.922) 5.181 5.307 ( -13.025 -7.746 6.924) 16.661 6.390 ( 5.348 1.488 -0.871) 5.619 7.003 ( -1.651 -2.872 -1.237) 3.536 7.754 ( -3.144 4.742 0.141) 5.691 8.788 ( -4.743 -7.323 -5.450) 10.287 ======================= Grid point 22 (15/288) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 0.049 3.150 -0.306) 3.165 2.160 ( 1.573 0.414 -0.972) 1.894 2.296 ( 3.513 0.509 -1.099) 3.716 3.640 ( 3.203 9.560 -3.279) 10.602 3.764 ( 7.353 -0.328 2.618) 7.812 4.585 ( -0.175 2.025 0.511) 2.096 4.595 ( 0.261 1.278 0.070) 1.307 5.019 ( -13.942 -0.368 0.303) 13.950 6.487 ( 4.564 -1.030 1.739) 4.991 6.972 ( 0.663 -1.962 -0.305) 2.093 7.748 ( -2.779 4.494 0.060) 5.284 8.674 ( -0.282 -4.409 -1.856) 4.792 ======================= Grid point 23 (16/288) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -2.511 1.587 0.085) 2.972 2.164 ( -0.497 -0.854 -0.106) 0.994 2.302 ( -1.484 -2.499 0.149) 2.910 3.660 ( -10.423 7.211 0.404) 12.681 3.723 ( -3.587 -12.814 -5.358) 14.345 4.581 ( -3.243 -0.913 -0.223) 3.376 4.601 ( 0.475 3.624 1.029) 3.797 4.998 ( 5.578 10.416 -3.666) 12.372 6.509 ( -1.035 -3.839 6.010) 7.206 6.976 ( 1.706 -1.358 0.499) 2.237 7.749 ( -2.476 4.588 0.125) 5.215 8.689 ( 5.580 -1.313 1.070) 5.832 ======================= Grid point 24 (17/288) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -5.033 -0.431 0.610) 5.088 2.113 ( -5.103 -2.738 2.041) 6.140 2.217 ( -4.223 -3.066 1.054) 5.324 3.413 ( -11.910 -10.902 -4.057) 16.649 3.485 ( -17.013 2.315 -3.388) 17.501 4.523 ( -2.347 -3.711 1.977) 4.816 4.671 ( 1.290 5.561 2.883) 6.395 5.222 ( 10.639 6.643 -9.968) 16.021 6.422 ( -5.883 -4.101 5.271) 8.900 7.015 ( 3.681 0.050 1.322) 3.912 7.753 ( -2.547 4.802 0.028) 5.436 8.840 ( 10.981 0.988 4.989) 12.102 ======================= Grid point 25 (18/288) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -7.919 -3.231 1.356) 8.659 1.931 ( -13.379 -3.692 5.795) 15.040 2.131 ( -4.234 -2.299 -0.400) 4.835 3.135 ( -7.938 -6.860 -5.790) 11.983 3.161 ( -21.174 0.479 -1.437) 21.228 4.380 ( -10.848 -8.916 6.945) 15.665 4.759 ( 0.776 6.834 2.571) 7.342 5.356 ( 5.486 -1.057 -13.934) 15.012 6.337 ( 0.090 -0.656 0.606) 0.897 7.110 ( 5.925 1.494 1.247) 6.236 7.753 ( -2.820 4.450 -0.333) 5.279 9.089 ( 13.329 2.382 8.304) 15.884 ======================= Grid point 26 (19/288) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -12.062 -6.308 2.138) 13.779 1.654 ( -18.963 -0.940 6.389) 20.033 1.992 ( -8.712 -3.747 -3.054) 9.964 2.786 ( -20.128 -1.851 -2.634) 20.384 3.014 ( -1.204 -1.158 -1.353) 2.149 3.997 ( -25.591 -11.440 8.295) 29.233 4.842 ( 0.026 7.359 1.716) 7.556 5.300 ( -0.587 -7.539 -13.344) 15.338 6.458 ( 11.991 3.161 -1.182) 12.457 7.238 ( 6.922 1.548 -0.359) 7.103 7.741 ( -2.885 3.269 -0.677) 4.412 9.364 ( 12.461 2.768 8.844) 15.529 ======================= Grid point 27 (20/288) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -17.194 -6.443 1.778) 18.447 1.317 ( -23.298 0.917 4.243) 23.698 1.736 ( -15.834 -4.468 -4.275) 16.999 2.461 ( -14.845 -1.777 -1.929) 15.074 3.039 ( 2.981 1.486 0.807) 3.427 3.404 ( -33.453 -8.627 4.930) 34.897 4.911 ( -0.863 6.950 1.356) 7.133 5.149 ( -2.672 -8.909 -8.361) 12.507 6.737 ( 16.271 2.959 -0.395) 16.543 7.361 ( 6.570 0.700 -1.488) 6.772 7.716 ( -2.502 1.568 -0.619) 3.017 9.602 ( 9.745 2.018 6.292) 11.774 ======================= Grid point 28 (21/288) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -20.668 -0.000 0.000) 20.668 0.911 ( -26.210 -0.000 0.000) 26.210 1.335 ( -28.086 -0.000 0.000) 28.086 2.253 ( -8.360 -0.000 0.000) 8.360 2.822 ( -28.426 -0.000 0.000) 28.426 3.121 ( 4.370 0.000 -0.000) 4.370 4.941 ( -1.027 -0.000 0.000) 1.027 5.021 ( -3.840 -0.000 0.000) 3.840 7.014 ( 13.953 0.000 -0.000) 13.953 7.461 ( 5.164 0.000 -0.000) 5.164 7.687 ( -1.616 -0.000 0.000) 1.616 9.761 ( 6.406 0.000 -0.000) 6.406 ======================= Grid point 31 (22/288) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 0.000 23.857 5.224) 24.422 1.027 ( 0.000 19.745 10.286) 22.263 1.495 ( 0.000 22.155 7.436) 23.369 2.223 ( -0.000 8.743 -6.248) 10.746 2.988 ( -0.000 27.836 -0.954) 27.852 3.122 ( -0.000 1.563 -2.674) 3.097 4.857 ( -0.000 -2.768 -1.381) 3.093 5.072 ( -0.000 5.204 0.941) 5.288 6.909 ( -0.000 -15.066 -2.987) 15.359 7.490 ( 0.000 -6.793 7.710) 10.276 7.673 ( -0.000 0.540 -0.153) 0.561 9.684 ( -0.000 -2.000 -11.262) 11.438 ======================= Grid point 32 (23/288) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -1.246 17.812 7.718) 19.452 1.358 ( 5.997 20.939 0.307) 21.783 1.769 ( 6.786 12.958 7.030) 16.229 2.397 ( 9.986 13.315 -4.142) 17.151 3.016 ( -1.107 -4.638 -3.322) 5.811 3.410 ( 5.125 36.578 -4.118) 37.164 4.907 ( 6.684 -1.616 -2.481) 7.311 5.115 ( 1.089 1.753 5.760) 6.119 6.709 ( -4.376 -15.491 -2.101) 16.234 7.412 ( -3.158 -7.613 6.171) 10.296 7.717 ( 3.489 1.070 0.807) 3.738 9.555 ( -7.155 -4.251 -10.449) 13.359 ======================= Grid point 33 (24/288) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 3.060 13.039 4.070) 13.998 1.631 ( 4.999 17.644 -3.643) 18.697 1.981 ( 5.240 6.197 3.245) 8.740 2.766 ( 14.706 18.642 0.504) 23.750 2.974 ( 1.736 -0.900 -2.950) 3.539 3.835 ( 9.222 26.847 -5.896) 28.993 4.934 ( -3.275 2.656 -4.248) 5.986 5.239 ( 11.277 -4.804 11.031) 16.490 6.480 ( -5.387 -11.826 -0.636) 13.010 7.286 ( -4.820 -7.496 3.547) 9.592 7.794 ( 2.483 2.777 1.770) 4.125 9.311 ( -10.630 -6.861 -10.672) 16.552 ======================= Grid point 34 (25/288) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 4.871 9.284 1.739) 10.627 1.851 ( 4.988 13.299 -4.616) 14.935 2.095 ( 3.273 2.450 0.019) 4.088 3.052 ( 7.556 1.870 0.655) 7.812 3.217 ( 12.728 23.095 2.558) 26.494 4.176 ( 9.886 13.840 -5.655) 17.923 4.856 ( -6.426 1.565 -2.490) 7.067 5.389 ( 7.827 -7.691 8.915) 14.139 6.333 ( -2.008 -3.858 -0.017) 4.349 7.136 ( -5.405 -6.315 0.731) 8.344 7.855 ( -0.610 4.985 1.879) 5.362 9.020 ( -9.876 -9.302 -9.408) 16.509 ======================= Grid point 35 (26/288) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 3.480 7.189 0.730) 8.021 2.029 ( 5.187 7.829 -3.476) 10.014 2.159 ( 3.060 0.940 -0.784) 3.295 3.245 ( 11.662 2.637 0.689) 11.977 3.629 ( 6.934 23.808 4.267) 25.162 4.404 ( 8.007 5.760 -3.008) 10.312 4.746 ( -6.389 -0.062 -1.276) 6.516 5.381 ( -1.770 -8.642 5.364) 10.324 6.330 ( 2.253 1.155 -1.588) 2.988 7.004 ( -3.434 -4.638 -0.767) 5.822 7.880 ( -3.677 6.532 1.180) 7.588 8.766 ( -5.623 -9.802 -5.889) 12.743 ======================= Grid point 36 (27/288) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 0.472 5.811 0.140) 5.832 2.131 ( 2.284 1.723 -1.482) 3.222 2.229 ( 4.331 0.805 -1.153) 4.554 3.465 ( 12.167 -0.627 -1.881) 12.327 3.905 ( -2.053 19.683 4.685) 20.337 4.551 ( 5.037 3.069 -0.152) 5.900 4.647 ( -4.132 -0.229 -0.953) 4.246 5.232 ( -9.527 -1.517 0.296) 9.651 6.388 ( 4.921 -1.694 0.091) 5.205 6.935 ( 0.012 -3.498 -0.553) 3.541 7.874 ( -4.788 7.018 0.546) 8.513 8.614 ( -0.730 -7.687 -2.439) 8.098 ======================= Grid point 37 (28/288) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -2.407 4.205 -0.014) 4.845 2.154 ( 0.620 -0.367 -0.677) 0.988 2.277 ( 1.642 -1.774 -0.798) 2.545 3.569 ( 4.986 -8.590 -4.768) 11.018 3.961 ( -11.446 14.387 2.655) 18.575 4.610 ( -1.162 0.153 -0.084) 1.175 4.624 ( 1.268 1.569 0.682) 2.130 5.106 ( -6.650 8.595 -4.405) 11.727 6.456 ( 4.892 -4.312 6.063) 8.904 6.923 ( 2.095 -2.947 0.132) 3.619 7.867 ( -4.340 7.249 0.343) 8.456 8.574 ( 4.021 -5.074 -0.678) 6.510 ======================= Grid point 38 (29/288) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -5.071 1.957 0.111) 5.437 2.144 ( -1.031 -1.023 -0.045) 1.453 2.245 ( -1.975 -3.102 0.313) 3.690 3.427 ( -6.012 -11.902 -5.702) 14.502 3.845 ( -17.460 10.786 -0.830) 20.540 4.552 ( -3.903 -1.829 0.251) 4.318 4.690 ( 3.075 3.490 3.088) 5.584 5.146 ( 2.572 7.362 -7.466) 10.796 6.477 ( -1.439 -3.793 7.847) 8.834 6.948 ( 3.680 -1.750 0.717) 4.138 7.869 ( -3.990 7.190 0.089) 8.224 8.655 ( 10.344 -2.977 1.528) 10.872 ======================= Grid point 39 (30/288) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -7.658 -0.651 0.461) 7.699 2.082 ( -5.812 -1.372 1.650) 6.196 2.175 ( -3.323 -1.843 0.856) 3.895 3.179 ( -8.158 -7.757 -5.339) 12.459 3.574 ( -23.500 5.899 -1.370) 24.268 4.453 ( -5.423 -4.248 1.788) 7.117 4.804 ( 3.727 4.892 4.700) 7.740 5.228 ( 4.106 1.065 -9.501) 10.405 6.388 ( -6.144 -2.370 3.632) 7.520 7.023 ( 5.763 -0.065 1.005) 5.850 7.864 ( -4.229 5.694 -0.334) 7.101 8.869 ( 15.498 -0.843 3.984) 16.024 ======================= Grid point 40 (31/288) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -10.560 -1.903 0.746) 10.756 1.932 ( -12.146 0.018 2.866) 12.480 2.085 ( -6.145 -1.577 -0.659) 6.378 3.005 ( -4.799 -2.791 -2.815) 6.224 3.193 ( -24.291 2.066 -0.698) 24.389 4.266 ( -13.605 -4.832 2.827) 14.712 4.932 ( 2.379 7.035 5.682) 9.351 5.199 ( -1.632 -5.540 -9.944) 11.499 6.336 ( 2.767 0.039 0.168) 2.773 7.134 ( 6.647 0.446 0.434) 6.676 7.833 ( -4.263 2.892 -0.423) 5.169 9.155 ( 16.278 0.451 3.667) 16.692 ======================= Grid point 41 (32/288) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -14.312 -0.000 0.000) 14.312 1.683 ( -18.302 -0.000 0.000) 18.302 1.932 ( -10.695 -0.000 0.000) 10.695 2.762 ( -21.239 -0.000 0.000) 21.239 3.005 ( 0.450 0.000 -0.000) 0.450 3.900 ( -27.160 -0.000 0.000) 27.160 5.036 ( -5.597 -0.000 0.000) 5.597 5.059 ( 2.495 0.000 -0.000) 2.495 6.486 ( 13.608 0.000 -0.000) 13.608 7.250 ( 6.717 0.000 -0.000) 6.717 7.778 ( -3.703 -0.000 0.000) 3.703 9.421 ( 13.768 0.000 -0.000) 13.768 ======================= Grid point 46 (33/288) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.000 12.193 6.729) 13.926 1.497 ( -0.000 21.744 1.566) 21.800 1.868 ( 0.000 12.719 6.396) 14.237 2.431 ( -0.000 16.832 -5.169) 17.608 2.964 ( -0.000 -4.524 -4.503) 6.383 3.742 ( -0.000 38.215 -4.383) 38.465 4.789 ( -0.000 -3.141 -1.202) 3.363 5.167 ( 0.000 2.512 4.336) 5.011 6.584 ( 0.000 -15.383 -1.780) 15.485 7.385 ( 0.000 -8.277 5.637) 10.014 7.685 ( -0.000 0.739 0.008) 0.739 9.542 ( -0.000 -6.129 -8.159) 10.204 ======================= Grid point 47 (34/288) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -1.189 10.226 4.491) 11.231 1.727 ( 2.793 17.561 -1.685) 17.862 2.005 ( 1.335 8.052 3.589) 8.916 2.709 ( 12.288 19.943 -1.726) 23.489 2.923 ( 1.223 -1.508 -4.404) 4.813 4.050 ( -1.685 29.706 -5.527) 30.262 4.856 ( 9.436 -1.483 -3.351) 10.123 5.176 ( -1.851 -0.627 8.982) 9.192 6.428 ( -2.133 -10.338 -0.717) 10.580 7.291 ( -3.123 -7.908 3.471) 9.183 7.741 ( 4.949 0.836 0.752) 5.075 9.378 ( -7.923 -7.985 -7.785) 13.680 ======================= Grid point 48 (35/288) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 1.580 8.743 2.806) 9.318 1.910 ( 2.213 13.111 -3.170) 13.669 2.084 ( 1.100 3.521 -0.310) 3.702 2.965 ( 4.921 2.313 -0.711) 5.484 3.179 ( 17.763 21.659 1.002) 28.030 4.239 ( -0.216 17.255 -4.286) 17.781 4.934 ( -0.261 0.744 -6.370) 6.419 5.199 ( 5.800 -7.291 10.484) 14.026 6.338 ( -1.616 -0.553 -0.031) 1.709 7.160 ( -4.545 -6.838 1.186) 8.296 7.850 ( 5.486 1.801 1.624) 5.998 9.093 ( -11.934 -9.560 -7.420) 16.997 ======================= Grid point 49 (36/288) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 3.192 7.829 2.110) 8.714 2.040 ( 2.079 8.421 -2.477) 9.020 2.123 ( 1.661 1.062 -1.541) 2.503 3.109 ( 8.105 3.627 0.675) 8.905 3.695 ( 15.581 22.801 4.212) 27.935 4.373 ( 2.486 9.452 -2.538) 10.098 4.854 ( -6.536 -0.148 -1.571) 6.724 5.242 ( 6.728 -11.401 3.078) 13.592 6.346 ( -1.400 5.428 -1.782) 5.882 7.022 ( -4.570 -5.499 -0.199) 7.153 7.954 ( 2.561 3.772 1.768) 4.890 8.780 ( -10.137 -10.218 -5.429) 15.383 ======================= Grid point 50 (37/288) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 1.693 7.141 1.325) 7.457 2.118 ( 1.158 2.389 -0.810) 2.775 2.168 ( 3.259 1.136 -1.503) 3.764 3.286 ( 8.960 1.554 0.064) 9.094 4.122 ( 5.383 22.174 6.122) 23.625 4.496 ( 4.537 5.040 -1.171) 6.881 4.729 ( -6.695 -1.091 0.174) 6.785 5.244 ( 4.179 -6.361 -1.027) 7.680 6.343 ( -1.979 1.352 -3.486) 4.231 6.914 ( -2.294 -4.212 -0.306) 4.806 8.011 ( -2.014 6.030 1.070) 6.447 8.554 ( -3.598 -9.094 -2.221) 10.029 ======================= Grid point 51 (38/288) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -1.654 6.071 0.536) 6.315 2.139 ( 0.655 0.009 -0.523) 0.839 2.219 ( 2.727 -1.303 -0.782) 3.122 3.407 ( 5.625 -3.231 -1.780) 6.727 4.306 ( -8.358 17.064 5.171) 19.692 4.598 ( 3.238 1.906 -0.214) 3.763 4.638 ( -2.573 -0.309 -0.105) 2.594 5.251 ( -1.894 3.963 -4.567) 6.336 6.330 ( 4.454 -4.360 1.410) 6.390 6.863 ( 0.722 -3.464 -0.047) 3.539 8.021 ( -4.488 7.501 0.610) 8.762 8.461 ( 1.886 -7.149 -0.688) 7.425 ======================= Grid point 52 (39/288) ======================= q-point: (-0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -4.959 3.683 0.155) 6.179 2.142 ( 0.130 -0.458 -0.327) 0.578 2.226 ( 0.782 -2.672 -0.450) 2.820 3.381 ( -1.743 -6.665 -3.215) 7.602 4.245 ( -15.789 12.062 1.234) 19.907 4.600 ( -2.890 -1.019 0.257) 3.075 4.664 ( 3.338 1.560 1.343) 3.921 5.214 ( -4.674 5.127 -6.116) 9.248 6.420 ( 7.061 -3.150 6.073) 9.832 6.868 ( 3.199 -2.508 0.201) 4.070 8.018 ( -4.828 7.341 0.400) 8.796 8.468 ( 6.844 -5.370 -0.263) 8.704 ======================= Grid point 53 (40/288) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -7.378 0.791 0.040) 7.421 2.129 ( -1.301 -0.416 -0.017) 1.366 2.201 ( -1.123 -1.353 0.236) 1.774 3.232 ( -6.965 -4.543 -2.632) 8.722 4.018 ( -21.833 5.881 -0.556) 22.618 4.517 ( -5.048 -1.615 0.368) 5.313 4.759 ( 5.541 1.417 2.025) 6.067 5.189 ( -0.249 1.790 -4.179) 4.553 6.466 ( -2.018 -1.276 3.498) 4.235 6.925 ( 5.389 -0.797 0.355) 5.459 7.993 ( -5.128 4.189 -0.032) 6.622 8.605 ( 13.890 -2.250 0.799) 14.094 ======================= Grid point 54 (41/288) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -8.943 -0.000 0.000) 8.943 2.077 ( -5.128 -0.000 0.000) 5.128 2.159 ( -3.431 -0.000 0.000) 3.431 3.081 ( -7.043 -0.000 0.000) 7.043 3.637 ( -25.727 -0.000 0.000) 25.727 4.411 ( -6.879 -0.000 0.000) 6.879 4.880 ( 6.858 0.000 -0.000) 6.858 5.192 ( -0.364 -0.000 0.000) 0.364 6.377 ( -6.247 -0.000 0.000) 6.247 7.026 ( 6.516 0.000 -0.000) 6.516 7.926 ( -4.976 -0.000 0.000) 4.976 8.871 ( 17.533 0.000 -0.000) 17.533 ======================= Grid point 61 (42/288) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.000 5.737 1.951) 6.060 1.867 ( -0.000 15.734 -1.668) 15.822 2.086 ( 0.000 6.350 2.061) 6.676 2.787 ( -0.000 20.974 -2.227) 21.092 2.893 ( -0.000 1.306 -3.770) 3.990 4.327 ( -0.000 23.513 -8.427) 24.977 4.728 ( 0.000 -2.557 -0.123) 2.560 5.222 ( 0.000 -1.960 9.325) 9.529 6.375 ( 0.000 -2.674 0.469) 2.715 7.251 ( 0.000 -7.955 2.628) 8.377 7.700 ( -0.000 0.645 0.067) 0.649 9.337 ( -0.000 -10.141 -6.626) 12.114 ======================= Grid point 62 (43/288) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 1.342 4.868 0.897) 5.128 1.999 ( 0.599 11.268 -2.121) 11.482 2.117 ( -0.989 2.611 -2.261) 3.593 2.937 ( 2.254 5.460 -1.152) 6.018 3.103 ( 13.450 19.997 -0.413) 24.102 4.422 ( -4.226 12.571 -5.241) 14.260 4.801 ( 8.637 -2.092 -3.954) 9.726 5.182 ( -3.442 -6.400 9.870) 12.257 6.399 ( -1.163 8.724 1.710) 8.965 7.160 ( -2.703 -6.830 1.010) 7.414 7.758 ( 5.712 0.463 0.557) 5.758 9.142 ( -7.553 -11.567 -6.172) 15.131 ======================= Grid point 63 (44/288) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 3.761 5.070 1.144) 6.415 2.090 ( 0.477 6.348 -0.835) 6.420 2.114 ( 0.171 1.468 -3.964) 4.230 3.054 ( 4.355 6.567 0.417) 7.891 3.588 ( 20.456 18.529 2.277) 27.694 4.461 ( -1.601 8.792 -1.696) 9.096 4.878 ( 4.514 -2.228 -6.337) 8.093 5.066 ( -1.997 -11.886 7.460) 14.175 6.481 ( -4.029 13.545 0.412) 14.137 7.043 ( -4.080 -5.397 -0.168) 6.768 7.885 ( 7.656 0.825 1.206) 7.794 8.848 ( -10.893 -11.249 -4.899) 16.407 ======================= Grid point 64 (45/288) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 4.530 5.320 1.450) 7.136 2.114 ( 0.857 -0.164 -0.761) 1.158 2.152 ( 0.637 3.707 -1.789) 4.165 3.196 ( 5.416 4.496 0.635) 7.067 4.122 ( 18.966 17.456 5.267) 26.309 4.526 ( -0.018 7.446 -0.227) 7.450 4.838 ( -6.261 -1.136 0.546) 6.386 5.006 ( 9.609 -12.333 -2.611) 15.851 6.478 ( -9.354 8.392 -2.836) 12.882 6.926 ( -3.867 -4.024 -0.313) 5.589 8.021 ( 5.931 2.115 1.110) 6.394 8.567 ( -8.570 -8.644 -2.271) 12.382 ======================= Grid point 65 (46/288) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 2.119 5.724 0.956) 6.178 2.125 ( 0.899 -0.435 -0.226) 1.024 2.174 ( 0.496 -0.427 -0.673) 0.939 3.310 ( 4.320 0.911 0.008) 4.415 4.507 ( 5.951 10.731 4.487) 13.065 4.595 ( 0.015 6.312 0.998) 6.391 4.713 ( -6.969 -0.406 1.867) 7.226 5.130 ( 15.077 -3.318 -4.947) 16.211 6.331 ( -9.319 -0.122 -3.055) 9.807 6.843 ( -1.935 -2.782 0.047) 3.389 8.122 ( 1.689 4.741 0.470) 5.055 8.392 ( -3.162 -6.560 -0.207) 7.285 ======================= Grid point 66 (47/288) ======================= q-point: (-0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -3.796 4.510 0.395) 5.909 2.133 ( 0.439 -0.171 0.010) 0.471 2.170 ( 2.213 -2.910 -0.479) 3.687 3.346 ( 0.447 -1.596 -0.744) 1.817 4.570 ( -8.264 5.589 1.564) 10.098 4.629 ( -1.412 -0.665 0.277) 1.585 4.643 ( -0.839 3.075 1.106) 3.374 5.287 ( 1.730 1.996 -3.631) 4.491 6.265 ( 5.779 -2.455 1.116) 6.378 6.811 ( 0.791 -1.589 0.073) 1.777 8.165 ( -3.973 6.618 0.373) 7.728 8.325 ( 3.262 -6.321 -0.209) 7.116 ======================= Grid point 67 (48/288) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -6.790 -0.000 0.000) 6.790 2.136 ( -0.016 -0.000 0.000) 0.016 2.191 ( 1.336 0.000 -0.000) 1.336 3.302 ( -3.989 -0.000 0.000) 3.989 4.383 ( -17.121 -0.000 0.000) 17.121 4.584 ( -3.502 -0.000 0.000) 3.502 4.687 ( 3.717 0.000 -0.000) 3.717 5.236 ( -4.730 -0.000 0.000) 4.730 6.411 ( 8.399 0.000 -0.000) 8.399 6.841 ( 3.677 0.000 -0.000) 3.677 8.109 ( -5.843 -0.000 0.000) 5.843 8.398 ( 8.819 0.000 -0.000) 8.819 ======================= Grid point 76 (49/288) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -0.000 2.879 -0.439) 2.912 2.083 ( -0.000 7.387 -0.731) 7.423 2.124 ( -0.000 0.144 -6.738) 6.740 2.987 ( -0.000 8.580 -0.112) 8.580 3.163 ( -0.000 17.662 -1.048) 17.693 4.536 ( -0.000 5.734 -6.588) 8.734 4.694 ( 0.000 -1.281 1.240) 1.783 5.164 ( 0.000 -10.031 7.035) 12.252 6.557 ( 0.000 18.375 3.764) 18.756 7.122 ( 0.000 -6.010 0.485) 6.029 7.709 ( -0.000 0.310 -0.025) 0.311 9.063 ( -0.000 -13.612 -5.753) 14.778 ======================= Grid point 77 (50/288) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 3.099 2.522 -0.278) 4.006 2.089 ( 0.432 -1.751 -4.476) 4.826 2.145 ( 0.019 5.387 -2.473) 5.927 3.085 ( 1.332 8.339 0.197) 8.448 3.443 ( 14.525 14.372 0.008) 20.434 4.548 ( -1.034 4.866 -1.849) 5.307 4.730 ( 4.466 -2.833 -0.916) 5.368 5.045 ( -3.162 -11.355 4.207) 12.515 6.731 ( -4.438 19.937 3.284) 20.688 7.050 ( -2.510 -4.298 -0.246) 4.983 7.767 ( 6.118 0.162 0.360) 6.131 8.858 ( -5.858 -13.409 -4.872) 15.423 ======================= Grid point 78 (51/288) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 5.782 2.537 0.539) 6.336 2.083 ( 1.671 -1.031 -2.423) 3.119 2.179 ( -0.078 2.966 -1.136) 3.178 3.186 ( 2.353 5.557 0.318) 6.043 3.908 ( 23.912 12.457 2.338) 27.063 4.591 ( 0.135 5.249 0.037) 5.250 4.756 ( 4.460 -7.129 -2.570) 8.793 4.899 ( -3.499 -6.874 1.885) 7.940 6.770 ( -11.769 13.279 0.634) 17.755 6.957 ( -3.980 -2.963 -0.721) 5.014 7.901 ( 8.713 0.303 0.728) 8.749 8.614 ( -7.312 -9.291 -2.675) 12.123 ======================= Grid point 79 (52/288) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 6.362 1.998 0.532) 6.690 2.100 ( 1.516 -0.357 -0.574) 1.660 2.188 ( -1.060 0.858 -0.327) 1.402 3.269 ( 2.820 2.095 0.265) 3.523 4.446 ( 18.956 13.102 4.643) 23.506 4.645 ( 0.835 3.707 0.711) 3.866 4.721 ( 8.058 -12.861 -0.947) 15.207 4.843 ( 0.056 -0.148 -3.110) 3.114 6.591 ( -18.019 3.815 -1.438) 18.475 6.869 ( -3.450 -1.522 -0.125) 3.773 8.052 ( 8.138 0.651 0.351) 8.171 8.435 ( -6.179 -3.555 -0.474) 7.145 ======================= Grid point 80 (53/288) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 5.506 0.000 -0.000) 5.506 2.115 ( 0.271 0.000 -0.000) 0.271 2.154 ( -2.918 -0.000 0.000) 2.918 3.319 ( 2.034 0.000 -0.000) 2.034 4.603 ( 0.421 0.000 -0.000) 0.421 4.641 ( -0.691 -0.000 0.000) 0.691 4.780 ( -5.578 -0.000 0.000) 5.578 5.067 ( 23.795 0.000 -0.000) 23.795 6.316 ( -13.008 -0.000 0.000) 13.008 6.814 ( -1.954 -0.000 0.000) 1.954 8.183 ( 6.568 0.000 -0.000) 6.568 8.315 ( -6.228 -0.000 0.000) 6.228 ======================= Grid point 92 (54/288) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.000 1.319 -0.718) 1.502 2.044 ( -0.000 -2.290 -5.354) 5.824 2.180 ( -0.000 3.118 -1.365) 3.403 3.151 ( -0.000 6.795 -0.152) 6.797 3.428 ( -0.000 9.668 -0.762) 9.698 4.588 ( -0.000 4.129 -0.215) 4.135 4.691 ( 0.000 -0.153 1.486) 1.494 4.960 ( 0.000 -12.405 1.189) 12.462 6.963 ( 0.000 11.030 2.609) 11.334 7.062 ( 0.000 5.711 1.184) 5.832 7.712 ( -0.000 0.037 -0.088) 0.096 8.757 ( -0.000 -13.297 -4.353) 13.992 ======================= Grid point 93 (55/288) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 4.158 0.864 -0.130) 4.249 2.029 ( 1.920 -1.160 -2.598) 3.432 2.198 ( 0.018 1.405 -0.605) 1.530 3.208 ( 0.754 3.497 -0.137) 3.580 3.640 ( 16.436 5.391 -0.044) 17.297 4.634 ( -0.679 4.367 1.004) 4.532 4.695 ( -0.131 -0.678 0.439) 0.818 4.848 ( 0.361 -8.583 -0.333) 8.597 6.968 ( -2.065 -0.643 0.291) 2.182 7.104 ( -9.414 10.071 1.266) 13.843 7.771 ( 6.453 0.148 0.203) 6.457 8.607 ( -3.143 -7.779 -2.299) 8.699 ======================= Grid point 94 (56/288) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 6.503 0.000 -0.000) 6.503 2.061 ( 2.584 0.000 -0.000) 2.584 2.203 ( -0.226 -0.000 0.000) 0.226 3.244 ( 1.654 0.000 -0.000) 1.654 4.056 ( 28.326 0.000 -0.000) 28.326 4.625 ( -1.824 -0.000 0.000) 1.824 4.677 ( -1.123 -0.000 0.000) 1.123 4.835 ( 1.470 0.000 -0.000) 1.470 6.919 ( -3.237 -0.000 0.000) 3.237 6.922 ( -17.055 -0.000 0.000) 17.055 7.907 ( 8.878 0.000 -0.000) 8.878 8.504 ( -4.499 -0.000 0.000) 4.499 ======================= Grid point 109 (57/288) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 3.219 ( 0.000 0.000 0.000) 0.000 3.520 ( -0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 -0.000 -0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 8.585 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 218 (58/288) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.241 ( 0.000 -0.000 24.525) 24.525 0.241 ( 0.000 -0.000 24.525) 24.525 0.396 ( 0.000 -0.000 40.346) 40.346 2.115 ( -0.000 0.000 -2.515) 2.515 2.115 ( -0.000 0.000 -2.515) 2.515 3.610 ( -0.000 0.000 -4.281) 4.281 4.926 ( -0.000 0.000 -0.228) 0.228 4.926 ( -0.000 0.000 -0.228) 0.228 7.264 ( -0.000 0.000 -0.630) 0.630 7.667 ( 0.000 -0.000 0.369) 0.369 7.667 ( 0.000 -0.000 0.369) 0.369 9.042 ( 0.000 -0.000 0.585) 0.585 ======================= Grid point 219 (59/288) ======================= q-point: ( 0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 14.492 8.367 12.197) 20.708 0.522 ( 16.383 9.459 10.013) 21.404 1.040 ( 29.544 17.057 20.605) 39.854 2.174 ( 4.788 2.764 -1.015) 5.621 2.376 ( 17.053 9.846 -12.797) 23.484 3.239 ( -10.969 -6.333 5.226) 13.702 4.919 ( -0.908 -0.524 0.196) 1.067 5.040 ( 7.549 4.358 3.755) 9.491 7.150 ( -7.472 -4.314 -3.252) 9.220 7.627 ( -3.383 -1.953 12.171) 12.782 7.677 ( 0.490 0.283 0.820) 0.996 9.543 ( 9.063 5.232 -31.216) 32.924 ======================= Grid point 220 (60/288) ======================= q-point: ( 0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 16.919 9.768 1.773) 19.617 0.918 ( 16.130 9.313 3.616) 18.973 1.630 ( 17.600 10.161 11.934) 23.568 2.327 ( 9.039 5.219 0.333) 10.442 2.830 ( 24.781 14.307 -11.134) 30.705 3.095 ( -1.080 -0.623 -2.106) 2.448 4.886 ( -2.103 -1.214 0.262) 2.443 5.257 ( 9.299 5.369 8.852) 13.916 6.920 ( -11.715 -6.763 -2.660) 13.786 7.552 ( -7.023 -4.055 12.618) 14.999 7.692 ( 0.477 0.276 0.915) 1.069 9.491 ( -3.204 -1.850 -22.106) 22.414 ======================= Grid point 221 (61/288) ======================= q-point: ( 0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 12.547 7.244 0.624) 14.501 1.271 ( 17.138 9.895 -4.253) 20.242 1.941 ( 8.772 5.065 4.999) 11.296 2.580 ( 13.197 7.619 0.964) 15.269 2.998 ( 1.955 1.129 -2.065) 3.060 3.521 ( 29.159 16.835 -9.632) 35.021 4.828 ( -3.090 -1.784 0.198) 3.573 5.483 ( 6.990 4.035 12.267) 14.684 6.637 ( -12.229 -7.061 -0.355) 14.125 7.397 ( -9.600 -5.543 8.588) 14.023 7.702 ( 0.218 0.126 0.628) 0.676 9.306 ( -6.853 -3.956 -18.226) 19.870 ======================= Grid point 222 (62/288) ======================= q-point: ( 0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 8.563 4.944 -0.627) 9.908 1.630 ( 16.330 9.428 -6.743) 20.025 2.092 ( 4.463 2.577 0.884) 5.229 2.906 ( 15.072 8.702 0.540) 17.412 3.109 ( 8.100 4.676 2.160) 9.599 4.075 ( 21.682 12.518 -9.461) 26.764 4.751 ( -3.739 -2.159 0.396) 4.336 5.608 ( -0.549 -0.317 12.338) 12.354 6.413 ( -7.024 -4.055 2.291) 8.428 7.199 ( -8.855 -5.112 2.322) 10.485 7.705 ( -0.040 -0.023 0.192) 0.198 9.084 ( -7.959 -4.595 -13.584) 16.400 ======================= Grid point 223 (63/288) ======================= q-point: ( 0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 5.367 3.099 -0.883) 6.260 1.942 ( 12.724 7.346 -6.087) 15.904 2.174 ( 3.228 1.864 -0.121) 3.729 3.233 ( 13.387 7.729 -0.369) 15.462 3.362 ( 13.324 7.693 2.429) 15.576 4.409 ( 10.613 6.128 -5.968) 13.631 4.667 ( -3.900 -2.252 1.001) 4.613 5.496 ( -12.573 -7.259 8.197) 16.672 6.367 ( 2.051 1.184 3.099) 3.901 7.049 ( -4.314 -2.491 -1.173) 5.118 7.703 ( -0.098 -0.057 -0.087) 0.143 8.877 ( -7.012 -4.048 -8.201) 11.525 ======================= Grid point 224 (64/288) ======================= q-point: ( 0.50 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 2.726 1.574 -0.715) 3.228 2.126 ( 4.636 2.677 -3.042) 6.158 2.258 ( 4.481 2.587 -1.345) 5.347 3.480 ( 8.349 4.821 -0.923) 9.685 3.685 ( 13.898 8.024 -1.949) 16.166 4.554 ( 4.504 2.600 -0.687) 5.245 4.590 ( -3.063 -1.769 1.646) 3.901 5.144 ( -18.139 -10.473 1.324) 20.987 6.477 ( 5.153 2.975 4.867) 7.687 6.994 ( -0.771 -0.445 -0.746) 1.162 7.702 ( -0.003 -0.002 -0.086) 0.086 8.730 ( -3.911 -2.258 -3.941) 5.994 ======================= Grid point 225 (65/288) ======================= q-point: (-0.43 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.270 0.156 -0.335) 0.457 2.168 ( 0.538 0.311 -1.123) 1.284 2.322 ( 0.828 0.478 -1.258) 1.580 3.579 ( 0.327 0.189 -0.721) 0.814 3.859 ( -0.334 -0.193 -7.516) 7.526 4.553 ( -0.471 -0.272 1.614) 1.703 4.606 ( -1.790 -1.034 0.611) 2.155 4.871 ( -0.009 -0.005 -2.014) 2.014 6.573 ( 0.443 0.256 8.417) 8.432 6.990 ( 0.276 0.160 0.331) 0.460 7.703 ( 0.079 0.045 0.091) 0.128 8.692 ( 1.556 0.898 -0.971) 2.042 ======================= Grid point 226 (66/288) ======================= q-point: (-0.36 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -2.188 -1.263 0.257) 2.539 2.154 ( -1.811 -1.046 -0.013) 2.091 2.280 ( -4.161 -2.402 0.691) 4.854 3.485 ( -8.296 -4.789 -0.449) 9.590 3.614 ( -15.343 -8.858 -8.959) 19.853 4.579 ( 0.116 0.067 1.448) 1.454 4.582 ( 2.504 1.446 0.878) 3.022 5.049 ( 12.093 6.982 -6.540) 15.419 6.529 ( -6.676 -3.855 8.755) 11.665 7.011 ( 1.668 0.963 0.946) 2.146 7.705 ( 0.062 0.036 0.233) 0.243 8.801 ( 7.657 4.421 2.852) 9.290 ======================= Grid point 227 (67/288) ======================= q-point: (-0.29 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -4.885 -2.820 1.165) 5.759 2.049 ( -9.171 -5.295 4.057) 11.340 2.177 ( -4.364 -2.519 0.649) 5.080 3.225 ( -14.135 -8.161 -1.150) 16.362 3.253 ( -12.578 -7.262 -8.216) 16.687 4.549 ( -6.029 -3.481 7.373) 10.140 4.657 ( 3.742 2.160 0.086) 4.321 5.264 ( 8.685 5.014 -13.125) 16.518 6.382 ( -6.067 -3.503 3.557) 7.857 7.079 ( 4.017 2.319 1.675) 4.932 7.706 ( -0.079 -0.045 0.149) 0.175 9.033 ( 11.008 6.355 6.817) 14.423 ======================= Grid point 228 (68/288) ======================= q-point: (-0.21 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -8.413 -4.857 2.522) 10.037 1.780 ( -15.906 -9.183 7.582) 19.870 2.061 ( -6.794 -3.923 -1.764) 8.041 2.873 ( -15.909 -9.185 -2.689) 18.566 3.040 ( -4.274 -2.467 -4.673) 6.796 4.284 ( -20.901 -12.067 10.418) 26.287 4.741 ( 3.667 2.117 -0.614) 4.278 5.321 ( 0.646 0.373 -14.598) 14.617 6.379 ( 6.309 3.642 -0.988) 7.351 7.193 ( 5.507 3.180 1.132) 6.459 7.702 ( -0.325 -0.188 -0.173) 0.413 9.311 ( 11.015 6.360 8.339) 15.210 ======================= Grid point 229 (69/288) ======================= q-point: (-0.14 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -13.360 -7.713 4.276) 16.009 1.403 ( -19.550 -11.287 7.627) 23.828 1.841 ( -12.209 -7.049 -3.581) 14.545 2.528 ( -13.161 -7.599 -4.196) 15.766 3.014 ( 1.824 1.053 -0.690) 2.216 3.709 ( -31.217 -18.023 7.571) 36.833 4.814 ( 3.070 1.772 -1.126) 3.719 5.233 ( -4.101 -2.367 -10.556) 11.570 6.620 ( 13.995 8.080 -1.726) 16.251 7.323 ( 5.587 3.226 0.356) 6.461 7.690 ( -0.534 -0.308 -0.497) 0.792 9.562 ( 8.892 5.134 6.568) 12.189 ======================= Grid point 230 (70/288) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -18.262 -10.544 6.384) 22.032 0.968 ( -21.037 -12.145 6.708) 25.200 1.468 ( -21.061 -12.160 -1.971) 24.399 2.277 ( -7.785 -4.495 -4.614) 10.104 2.981 ( -21.783 -12.576 2.687) 25.296 3.128 ( -3.320 -1.917 1.167) 4.007 4.870 ( 2.288 1.321 -1.224) 2.911 5.093 ( -5.664 -3.270 -5.138) 8.317 6.933 ( 13.323 7.692 -1.671) 15.475 7.441 ( 4.647 2.683 1.805) 5.661 7.676 ( -0.510 -0.294 -0.531) 0.792 9.739 ( 5.515 3.184 0.557) 6.392 ======================= Grid point 233 (71/288) ======================= q-point: ( 0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 0.000 20.961 10.605) 23.491 0.675 ( 0.000 19.541 17.009) 25.906 1.031 ( 0.000 27.938 23.035) 36.210 2.097 ( -0.000 2.503 -6.032) 6.531 2.409 ( -0.000 23.932 -8.309) 25.334 3.275 ( 0.000 -13.177 3.339) 13.593 4.899 ( -0.000 -1.897 -0.935) 2.115 4.987 ( 0.000 3.922 2.623) 4.718 7.136 ( -0.000 -9.327 -3.148) 9.843 7.644 ( 0.000 -4.887 11.415) 12.417 7.667 ( 0.000 0.069 0.226) 0.237 9.509 ( -0.000 17.231 -27.671) 32.598 ======================= Grid point 234 (72/288) ======================= q-point: ( 0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 2.803 17.169 11.722) 20.977 0.937 ( 5.022 22.173 5.535) 23.399 1.514 ( 15.138 16.681 15.058) 27.095 2.205 ( 9.710 4.935 -4.776) 11.893 2.724 ( 9.385 30.153 -7.942) 32.563 3.114 ( -4.732 -6.523 -2.310) 8.384 4.916 ( 0.425 -0.141 -1.559) 1.622 5.109 ( 10.159 1.146 6.189) 11.950 6.970 ( -5.866 -11.470 -3.341) 13.310 7.595 ( -2.528 -7.743 10.630) 13.392 7.704 ( 1.943 0.651 2.906) 3.556 9.499 ( -4.857 5.163 -22.102) 23.211 ======================= Grid point 235 (73/288) ======================= q-point: ( 0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 7.523 12.950 5.751) 16.043 1.255 ( 7.058 19.219 -0.524) 20.480 1.866 ( 9.117 7.277 6.830) 13.518 2.469 ( 12.811 11.093 -0.873) 16.969 2.981 ( -0.865 0.638 -5.122) 5.234 3.271 ( 19.653 25.647 -6.859) 33.031 4.887 ( -3.517 1.139 -1.198) 3.886 5.344 ( 13.562 -1.781 9.617) 16.721 6.719 ( -8.630 -11.740 -2.051) 14.714 7.475 ( -5.434 -9.882 9.455) 14.716 7.745 ( -0.428 2.950 2.868) 4.137 9.337 ( -7.983 -0.798 -19.128) 20.743 ======================= Grid point 236 (74/288) ======================= q-point: ( 0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 8.865 8.624 1.672) 12.480 1.541 ( 7.842 16.113 -4.185) 18.402 2.042 ( 5.067 3.238 1.369) 6.168 2.819 ( 11.844 16.824 0.280) 20.577 3.022 ( 6.243 1.973 -0.180) 6.550 3.824 ( 20.650 19.132 -8.065) 29.283 4.821 ( -4.924 0.867 -0.797) 5.063 5.548 ( 9.038 -4.468 10.531) 14.580 6.475 ( -6.908 -8.901 0.263) 11.270 7.290 ( -7.933 -8.983 5.123) 13.033 7.765 ( -2.567 4.699 1.884) 5.676 9.116 ( -7.896 -4.596 -15.224) 17.755 ======================= Grid point 237 (75/288) ======================= q-point: ( 0.43 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 5.922 6.135 0.251) 8.530 1.815 ( 9.999 11.996 -5.464) 16.545 2.133 ( 3.419 1.567 -0.299) 3.773 3.143 ( 9.986 10.982 -1.856) 14.959 3.248 ( 11.208 12.237 3.810) 17.026 4.243 ( 14.702 9.733 -6.060) 18.644 4.738 ( -5.270 0.164 -0.105) 5.274 5.581 ( -2.438 -8.479 7.651) 11.678 6.354 ( -0.259 -3.237 2.428) 4.055 7.099 ( -6.368 -5.578 0.387) 8.474 7.765 ( -3.582 5.239 0.848) 6.403 8.901 ( -6.013 -6.425 -9.731) 13.119 ======================= Grid point 238 (76/288) ======================= q-point: ( 0.50 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 2.688 4.767 -0.371) 5.485 2.045 ( 7.593 6.170 -4.406) 10.730 2.203 ( 3.827 1.362 -0.670) 4.117 3.399 ( 11.152 6.839 -3.072) 13.438 3.567 ( 8.250 14.692 2.242) 16.998 4.479 ( 7.790 4.230 -2.032) 9.094 4.651 ( -4.673 -0.486 0.731) 4.755 5.350 ( -14.953 -9.403 1.716) 17.747 6.410 ( 6.205 0.010 4.877) 7.892 6.992 ( -1.561 -2.666 -0.912) 3.221 7.756 ( -3.451 4.959 0.316) 6.050 8.736 ( -3.339 -5.847 -4.954) 8.360 ======================= Grid point 239 (77/288) ======================= q-point: ( 0.57 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 0.084 3.374 -0.449) 3.404 2.145 ( 2.246 1.092 -2.134) 3.285 2.282 ( 3.614 0.790 -1.776) 4.103 3.598 ( 5.766 5.333 -5.270) 9.458 3.772 ( 2.241 5.152 -0.853) 5.682 4.591 ( -2.165 0.548 0.771) 2.362 4.603 ( 3.246 1.807 1.325) 3.944 5.004 ( -15.020 -1.361 -3.168) 15.411 6.542 ( 5.986 -1.464 9.137) 11.021 6.970 ( 1.102 -1.761 -0.080) 2.079 7.750 ( -2.868 4.629 0.254) 5.451 8.653 ( 0.721 -3.481 -2.370) 4.272 ======================= Grid point 240 (78/288) ======================= q-point: (-0.36 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -2.291 1.755 -0.154) 2.890 2.158 ( -0.005 -0.480 -1.017) 1.124 2.299 ( -0.578 -1.958 -0.955) 2.254 3.620 ( -3.850 -2.644 -8.743) 9.913 3.689 ( -11.412 -1.956 -1.063) 11.627 4.582 ( -3.098 -1.283 0.349) 3.371 4.614 ( 0.788 4.698 1.549) 5.009 4.955 ( 4.357 8.266 -4.712) 10.465 6.596 ( -1.167 -4.366 11.136) 12.018 6.982 ( 1.948 -1.270 0.670) 2.420 7.751 ( -2.509 4.601 0.284) 5.248 8.695 ( 7.272 -0.531 0.125) 7.292 ======================= Grid point 241 (79/288) ======================= q-point: (-0.29 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -4.627 -0.321 0.512) 4.666 2.125 ( -3.241 -1.968 0.504) 3.825 2.228 ( -4.062 -3.151 1.024) 5.242 3.342 ( -11.366 -10.953 -9.322) 18.332 3.469 ( -17.615 3.118 -0.694) 17.902 4.540 ( -0.463 -3.466 1.515) 3.810 4.705 ( 1.275 6.837 3.832) 7.941 5.123 ( 8.187 5.344 -9.834) 13.867 6.485 ( -8.412 -5.601 7.331) 12.485 7.028 ( 4.059 0.125 1.207) 4.237 7.754 ( -2.606 4.623 0.170) 5.309 8.883 ( 13.094 1.465 3.672) 13.678 ======================= Grid point 242 (80/288) ======================= q-point: (-0.21 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -7.289 -3.210 1.736) 8.151 1.981 ( -11.377 -3.934 4.134) 12.728 2.128 ( -5.327 -2.726 -0.049) 5.984 3.071 ( -7.614 -5.457 -6.744) 11.543 3.148 ( -20.758 0.537 -1.516) 20.821 4.438 ( -7.645 -9.861 4.615) 13.304 4.794 ( -1.267 8.524 4.539) 9.740 5.222 ( 4.328 -0.630 -13.053) 13.766 6.348 ( -2.082 -1.552 1.439) 2.969 7.124 ( 5.753 1.131 1.406) 6.029 7.751 ( -2.904 4.172 -0.092) 5.084 9.156 ( 14.773 1.896 5.319) 15.816 ======================= Grid point 243 (81/288) ======================= q-point: (-0.14 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -11.276 -6.936 3.566) 13.710 1.709 ( -18.315 -2.756 4.488) 19.057 1.969 ( -9.782 -3.674 -1.225) 10.520 2.758 ( -20.473 -1.251 -2.969) 20.725 2.994 ( -0.010 0.227 -2.579) 2.589 4.063 ( -24.811 -13.952 4.695) 28.849 4.863 ( -2.153 9.555 2.359) 10.075 5.183 ( 0.524 -5.901 -9.766) 11.422 6.446 ( 11.527 3.507 -1.118) 12.100 7.243 ( 6.436 1.131 1.291) 6.660 7.736 ( -2.974 3.179 -0.243) 4.360 9.424 ( 13.091 1.028 3.369) 13.557 ======================= Grid point 244 (82/288) ======================= q-point: (-0.07 0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -16.444 -8.767 5.234) 19.356 1.349 ( -22.764 -2.369 1.978) 22.972 1.722 ( -16.161 -2.436 1.885) 16.452 2.434 ( -15.315 0.243 -3.364) 15.682 3.037 ( 3.728 1.431 -1.097) 4.141 3.430 ( -33.689 -11.725 0.299) 35.672 4.920 ( -2.051 8.138 0.099) 8.393 5.094 ( -1.620 -5.154 -2.014) 5.766 6.727 ( 16.226 3.650 -1.504) 16.699 7.368 ( 6.577 0.714 2.780) 7.176 7.713 ( -2.572 1.896 0.002) 3.196 9.620 ( 9.506 -0.996 -2.566) 9.897 ======================= Grid point 248 (83/288) ======================= q-point: ( 0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 21.919 5.191) 22.525 1.140 ( 0.000 17.227 12.559) 21.319 1.603 ( 0.000 18.021 13.760) 22.674 2.156 ( -0.000 9.026 -7.343) 11.636 2.964 ( -0.000 35.373 -4.331) 35.637 3.077 ( -0.000 -6.144 -6.143) 8.688 4.844 ( -0.000 -2.875 -1.261) 3.139 5.105 ( 0.000 5.144 5.149) 7.278 6.879 ( -0.000 -14.534 -3.093) 14.860 7.585 ( 0.000 -9.015 11.523) 14.630 7.674 ( 0.000 0.456 0.254) 0.522 9.535 ( -0.000 3.331 -18.289) 18.590 ======================= Grid point 249 (84/288) ======================= q-point: ( 0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -1.898 16.351 8.259) 18.417 1.366 ( 3.251 18.716 1.994) 19.100 1.846 ( 5.270 10.142 8.066) 13.989 2.357 ( 12.255 14.324 -3.714) 19.214 2.971 ( -1.310 -4.616 -6.094) 7.756 3.358 ( 4.910 36.922 -6.130) 37.749 4.880 ( 5.142 -1.814 -2.770) 6.116 5.191 ( 4.110 1.915 9.066) 10.137 6.688 ( -4.031 -14.770 -2.238) 15.473 7.484 ( -3.934 -9.855 8.223) 13.424 7.731 ( 4.418 0.414 2.314) 5.005 9.424 ( -7.887 -0.208 -16.058) 17.892 ======================= Grid point 250 (85/288) ======================= q-point: ( 0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 1.391 12.142 5.306) 13.324 1.600 ( 3.829 16.924 -2.632) 17.550 2.006 ( 3.778 4.673 1.868) 6.293 2.771 ( 15.990 19.575 0.260) 25.277 2.943 ( 3.486 -0.185 -3.072) 4.650 3.772 ( 8.656 27.528 -6.632) 29.609 4.897 ( -1.809 1.109 -3.361) 3.975 5.346 ( 10.574 -4.357 10.605) 15.596 6.473 ( -4.807 -11.308 -0.883) 12.320 7.327 ( -5.714 -9.704 4.788) 12.237 7.818 ( 2.759 2.259 3.116) 4.735 9.189 ( -11.023 -3.583 -14.023) 18.193 ======================= Grid point 251 (86/288) ======================= q-point: ( 0.43 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 3.724 9.269 2.909) 10.404 1.808 ( 4.609 13.759 -4.088) 15.075 2.093 ( 2.940 1.859 -0.579) 3.526 3.045 ( 8.168 3.602 -2.021) 9.153 3.250 ( 13.496 22.774 4.154) 26.797 4.121 ( 10.115 15.361 -5.541) 19.209 4.835 ( -5.334 1.146 -1.753) 5.730 5.468 ( 6.887 -9.463 7.025) 13.650 6.334 ( -1.737 -4.526 0.094) 4.849 7.147 ( -6.367 -7.566 1.363) 9.982 7.877 ( -1.052 4.821 2.597) 5.576 8.923 ( -9.068 -6.733 -10.219) 15.231 ======================= Grid point 252 (87/288) ======================= q-point: ( 0.50 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 2.587 7.431 1.361) 7.985 1.994 ( 5.328 9.108 -3.439) 11.098 2.151 ( 3.160 0.649 -0.850) 3.336 3.238 ( 10.891 3.321 -1.779) 11.525 3.673 ( 6.750 24.555 4.383) 25.841 4.376 ( 9.035 7.040 -2.779) 11.787 4.740 ( -5.997 -0.060 -0.085) 5.998 5.416 ( -2.869 -10.641 1.811) 11.169 6.325 ( 3.178 -0.835 0.671) 3.354 6.999 ( -3.770 -4.714 -0.337) 6.045 7.892 ( -4.285 6.547 1.408) 7.950 8.711 ( -4.330 -7.914 -5.272) 10.448 ======================= Grid point 253 (88/288) ======================= q-point: ( 0.57 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.003 6.048 0.335) 6.058 2.113 ( 2.557 2.852 -2.164) 4.400 2.217 ( 4.135 0.770 -1.241) 4.385 3.433 ( 10.206 0.203 -4.274) 11.067 3.950 ( -2.611 20.610 4.160) 21.187 4.548 ( 5.970 3.338 -0.329) 6.847 4.645 ( -4.248 -0.570 0.587) 4.326 5.213 ( -11.011 -2.918 -4.144) 12.121 6.415 ( 8.091 -3.119 5.229) 10.126 6.930 ( 0.125 -3.276 -0.337) 3.295 7.881 ( -5.043 7.069 0.794) 8.719 8.591 ( -0.214 -6.570 -2.298) 6.964 ======================= Grid point 254 (89/288) ======================= q-point: (-0.36 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -2.525 4.386 0.021) 5.061 2.144 ( 0.800 0.124 -1.325) 1.553 2.265 ( 1.816 -1.316 -1.439) 2.665 3.508 ( 3.217 -6.681 -7.313) 10.414 3.992 ( -12.983 13.761 3.355) 19.214 4.610 ( -0.868 0.522 0.164) 1.026 4.632 ( 1.834 1.325 0.938) 2.450 5.049 ( -6.876 7.465 -6.784) 12.208 6.536 ( 6.808 -5.249 9.916) 13.124 6.925 ( 2.422 -2.888 0.233) 3.777 7.872 ( -4.497 7.263 0.649) 8.567 8.565 ( 4.592 -4.471 -1.249) 6.530 ======================= Grid point 255 (90/288) ======================= q-point: (-0.29 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -4.937 2.029 0.201) 5.342 2.141 ( -0.600 -0.699 -0.583) 1.091 2.245 ( -1.207 -2.732 -0.536) 3.035 3.361 ( -6.586 -9.786 -7.445) 13.948 3.846 ( -18.610 10.148 0.722) 21.209 4.557 ( -3.640 -1.818 0.683) 4.126 4.722 ( 4.348 4.032 3.275) 6.775 5.068 ( 1.510 7.179 -8.264) 11.050 6.558 ( -2.371 -5.751 8.586) 10.603 6.955 ( 3.970 -1.786 0.631) 4.399 7.872 ( -4.186 7.059 0.400) 8.217 8.666 ( 11.856 -2.711 0.621) 12.178 ======================= Grid point 256 (91/288) ======================= q-point: (-0.21 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -7.262 -0.787 0.874) 7.356 2.093 ( -4.491 -1.474 0.564) 4.761 2.181 ( -3.408 -2.085 0.148) 3.998 3.126 ( -8.204 -5.417 -5.181) 11.113 3.565 ( -23.796 5.963 -0.427) 24.535 4.467 ( -4.503 -4.508 1.041) 6.456 4.857 ( 4.841 4.076 6.113) 8.799 5.132 ( 2.233 3.453 -9.908) 10.728 6.422 ( -7.936 -4.194 3.339) 9.577 7.032 ( 5.923 -0.383 0.842) 5.994 7.863 ( -4.374 5.559 0.128) 7.075 8.898 ( 16.707 -1.645 1.875) 16.892 ======================= Grid point 257 (92/288) ======================= q-point: (-0.14 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -10.062 -2.767 1.779) 10.586 1.947 ( -11.523 -1.830 0.149) 11.668 2.082 ( -6.452 -1.285 0.047) 6.579 2.983 ( -4.431 -0.319 -1.764) 4.780 3.185 ( -24.642 2.736 -0.892) 24.810 4.281 ( -12.909 -6.631 0.282) 14.515 4.995 ( 4.300 3.628 6.703) 8.751 5.108 ( -4.204 0.999 -8.051) 9.138 6.337 ( 2.050 -0.244 0.131) 2.069 7.141 ( 6.705 -0.072 0.791) 6.752 7.832 ( -4.324 3.044 0.248) 5.294 9.172 ( 16.535 -1.755 -0.260) 16.629 ======================= Grid point 258 (93/288) ======================= q-point: (-0.07 0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -13.925 -2.122 2.187) 14.254 1.666 ( -18.233 -2.898 -3.083) 18.717 1.948 ( -9.900 1.306 3.000) 10.427 2.762 ( -21.872 1.905 0.166) 21.956 2.997 ( 0.349 0.949 -1.636) 1.923 3.882 ( -27.391 -3.242 -3.597) 27.816 4.981 ( -1.595 -6.733 -5.608) 8.907 5.136 ( -1.205 11.463 9.842) 15.157 6.485 ( 13.434 0.710 -0.325) 13.456 7.259 ( 7.283 -0.362 1.835) 7.519 7.782 ( -3.701 0.363 0.794) 3.803 9.393 ( 13.099 -3.073 -5.780) 14.643 ======================= Grid point 263 (94/288) ======================= q-point: ( 0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 0.000 9.332 6.069) 11.132 1.506 ( -0.000 20.033 0.561) 20.041 1.941 ( 0.000 10.157 7.922) 12.881 2.385 ( -0.000 18.375 -4.182) 18.845 2.911 ( -0.000 -4.243 -6.278) 7.578 3.680 ( -0.000 37.808 -7.781) 38.600 4.779 ( -0.000 -2.886 -0.871) 3.015 5.237 ( 0.000 3.306 9.369) 9.935 6.568 ( 0.000 -14.567 -1.505) 14.644 7.450 ( 0.000 -10.931 7.784) 13.420 7.687 ( 0.000 0.672 0.285) 0.730 9.434 ( -0.000 -2.800 -13.626) 13.911 ======================= Grid point 264 (95/288) ======================= q-point: ( 0.36 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -0.873 8.028 3.611) 8.845 1.708 ( 1.901 16.776 -2.126) 17.017 2.036 ( -0.168 5.827 2.457) 6.326 2.696 ( 13.837 20.720 -0.923) 24.933 2.882 ( 1.995 -0.096 -3.464) 3.998 3.982 ( -0.707 29.767 -7.874) 30.799 4.823 ( 6.807 -1.883 -2.963) 7.659 5.283 ( -0.382 -0.215 12.215) 12.223 6.422 ( -2.049 -9.483 -0.472) 9.714 7.329 ( -3.877 -9.939 4.278) 11.494 7.751 ( 5.760 0.391 1.445) 5.952 9.280 ( -8.198 -5.187 -11.960) 15.400 ======================= Grid point 265 (96/288) ======================= q-point: ( 0.43 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 1.827 7.620 2.689) 8.284 1.877 ( 1.917 13.417 -3.569) 14.015 2.079 ( 0.722 2.360 -0.761) 2.583 2.954 ( 5.656 3.849 -1.434) 6.990 3.199 ( 19.064 21.588 3.173) 28.974 4.190 ( 0.493 18.791 -5.487) 19.582 4.880 ( 1.432 -0.232 -4.747) 4.964 5.302 ( 2.726 -8.192 10.263) 13.412 6.338 ( -1.996 -0.320 -0.067) 2.022 7.172 ( -5.129 -8.021 1.228) 9.599 7.870 ( 5.954 1.251 2.312) 6.508 9.009 ( -11.736 -7.103 -9.615) 16.752 ======================= Grid point 266 (97/288) ======================= q-point: ( 0.50 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 3.043 7.395 2.373) 8.341 2.014 ( 2.422 9.575 -2.848) 10.279 2.110 ( 1.785 0.572 -1.122) 2.184 3.111 ( 7.921 4.323 -0.213) 9.027 3.742 ( 16.566 23.168 5.237) 28.959 4.345 ( 2.791 10.921 -3.102) 11.691 4.838 ( -4.669 0.350 -1.625) 4.956 5.274 ( 4.274 -13.736 3.243) 14.747 6.328 ( -2.246 4.341 -1.793) 5.206 7.020 ( -4.757 -5.785 -0.208) 7.492 7.973 ( 2.421 3.332 2.024) 4.589 8.725 ( -9.103 -8.156 -5.716) 13.493 ======================= Grid point 267 (98/288) ======================= q-point: ( 0.57 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 1.168 7.011 1.409) 7.246 2.109 ( 1.065 3.540 -1.064) 3.846 2.154 ( 3.635 0.924 -1.233) 3.948 3.280 ( 7.967 2.159 -1.137) 8.332 4.184 ( 5.196 22.965 6.404) 24.401 4.484 ( 5.064 5.577 -1.330) 7.649 4.735 ( -6.800 -0.693 0.904) 6.895 5.223 ( 2.924 -8.100 -3.290) 9.218 6.317 ( -0.173 -0.012 -1.563) 1.573 6.911 ( -2.252 -4.065 -0.151) 4.650 8.022 ( -2.297 5.754 1.098) 6.292 8.533 ( -2.842 -7.777 -1.923) 8.501 ======================= Grid point 268 (99/288) ======================= q-point: ( 0.64 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -1.981 6.090 0.674) 6.439 2.132 ( 0.514 0.470 -0.813) 1.071 2.211 ( 2.689 -0.979 -0.930) 3.008 3.383 ( 4.160 -2.171 -2.908) 5.520 4.362 ( -9.796 16.764 6.273) 20.405 4.595 ( 3.565 2.028 -0.497) 4.131 4.640 ( -2.516 -0.390 0.481) 2.591 5.190 ( -3.050 3.965 -7.845) 9.304 6.358 ( 8.427 -5.568 4.235) 10.953 6.863 ( 0.751 -3.351 0.039) 3.434 8.028 ( -4.505 7.355 0.813) 8.663 8.453 ( 1.768 -6.605 -0.827) 6.888 ======================= Grid point 269 (100/288) ======================= q-point: (-0.29 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -5.097 3.679 0.472) 6.303 2.137 ( 0.158 -0.119 -0.634) 0.664 2.219 ( 0.891 -2.315 -0.814) 2.611 3.347 ( -2.741 -4.826 -3.613) 6.622 4.266 ( -17.311 10.777 2.975) 20.608 4.604 ( -2.926 -1.118 0.588) 3.187 4.677 ( 4.375 1.747 1.400) 4.915 5.145 ( -4.572 6.930 -7.797) 11.389 6.480 ( 8.029 -5.641 6.036) 11.520 6.870 ( 3.343 -2.562 0.159) 4.215 8.023 ( -4.976 7.165 0.689) 8.751 8.464 ( 7.184 -5.085 -0.575) 8.821 ======================= Grid point 270 (101/288) ======================= q-point: (-0.21 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -7.313 0.651 0.633) 7.369 2.128 ( -1.124 -0.286 -0.233) 1.183 2.199 ( -0.949 -1.262 -0.684) 1.721 3.210 ( -7.234 -2.057 -1.914) 7.761 4.021 ( -22.340 5.765 1.213) 23.103 4.520 ( -4.964 -1.928 0.340) 5.336 4.781 ( 6.213 -0.457 2.341) 6.655 5.143 ( -0.501 5.814 -5.007) 7.689 6.493 ( -2.549 -4.322 2.011) 5.406 6.928 ( 5.522 -1.068 0.217) 5.629 7.995 ( -5.245 4.058 0.429) 6.645 8.608 ( 14.344 -2.640 -0.157) 14.586 ======================= Grid point 271 (102/288) ======================= q-point: (-0.14 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -8.881 -0.547 0.842) 8.937 2.073 ( -5.580 -0.690 -0.820) 5.682 2.153 ( -3.187 -0.104 -1.127) 3.382 3.086 ( -7.005 2.712 1.045) 7.584 3.643 ( -25.994 0.556 1.196) 26.028 4.406 ( -7.205 -0.895 -0.861) 7.311 4.877 ( 6.333 -3.668 -0.624) 7.345 5.198 ( 0.605 6.040 1.229) 6.194 6.373 ( -5.969 -1.636 -0.794) 6.240 7.025 ( 6.579 -0.525 -0.082) 6.600 7.930 ( -4.941 0.102 0.666) 4.986 8.859 ( 17.095 -1.563 -2.275) 17.316 ======================= Grid point 272 (103/288) ======================= q-point: (-0.07 0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -10.705 0.765 0.473) 10.743 1.895 ( -13.240 -1.401 -4.368) 14.012 2.092 ( -4.909 1.624 0.615) 5.207 3.034 ( -4.929 4.801 2.738) 7.405 3.200 ( -25.183 -1.423 0.958) 25.242 4.228 ( -15.172 3.012 -4.741) 16.178 4.886 ( 1.965 -7.159 -3.796) 8.338 5.297 ( 0.547 8.900 9.926) 13.343 6.334 ( 3.594 -0.083 -0.126) 3.597 7.133 ( 7.119 -1.036 0.080) 7.195 7.841 ( -4.178 -2.885 1.128) 5.201 9.102 ( 15.051 -2.446 -7.068) 16.807 ======================= Grid point 278 (104/288) ======================= q-point: ( 0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -0.000 4.346 0.713) 4.404 1.843 ( -0.000 15.160 -3.044) 15.463 2.094 ( -0.000 2.803 -0.373) 2.828 2.772 ( -0.000 21.534 -0.906) 21.553 2.870 ( -0.000 3.293 -0.802) 3.389 4.235 ( -0.000 23.457 -9.963) 25.485 4.728 ( 0.000 -2.005 0.151) 2.010 5.331 ( 0.000 -2.537 12.390) 12.647 6.381 ( 0.000 -1.270 0.755) 1.478 7.279 ( 0.000 -9.858 3.133) 10.344 7.701 ( 0.000 0.554 0.145) 0.572 9.252 ( -0.000 -7.884 -10.561) 13.179 ======================= Grid point 279 (105/288) ======================= q-point: ( 0.43 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 1.954 4.094 0.208) 4.541 1.967 ( 0.574 11.531 -4.591) 12.425 2.093 ( -0.491 0.584 -2.145) 2.277 2.937 ( 2.238 6.900 0.945) 7.315 3.108 ( 14.499 19.516 1.437) 24.355 4.363 ( -2.245 14.646 -6.558) 16.203 4.770 ( 5.752 -1.894 -2.247) 6.459 5.284 ( -3.291 -8.967 10.641) 14.299 6.415 ( -1.827 9.846 1.472) 10.122 7.169 ( -3.108 -7.895 0.828) 8.525 7.764 ( 6.312 0.194 0.755) 6.360 9.067 ( -7.333 -9.613 -8.912) 15.020 ======================= Grid point 280 (106/288) ======================= q-point: ( 0.50 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 4.451 4.610 1.023) 6.490 2.056 ( 1.591 6.419 -5.101) 8.352 2.098 ( 0.278 1.727 0.084) 1.751 3.065 ( 4.162 6.769 1.591) 8.104 3.616 ( 21.980 18.298 3.377) 28.798 4.439 ( -0.917 10.489 -2.752) 10.883 4.826 ( 4.202 -2.198 -4.321) 6.415 5.138 ( -3.382 -13.800 7.299) 15.973 6.479 ( -5.688 13.617 -0.717) 14.775 7.039 ( -4.199 -5.724 -0.550) 7.120 7.897 ( 8.004 0.433 1.314) 8.123 8.794 ( -10.064 -9.436 -5.987) 15.039 ======================= Grid point 281 (107/288) ======================= q-point: ( 0.57 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 4.670 4.883 1.183) 6.859 2.105 ( 1.856 -0.122 -1.121) 2.172 2.138 ( 0.481 4.472 -0.944) 4.595 3.204 ( 4.961 4.541 0.990) 6.798 4.176 ( 20.162 17.211 5.592) 27.092 4.520 ( 0.112 8.646 -0.945) 8.698 4.833 ( -2.148 0.205 -1.666) 2.726 4.997 ( 4.512 -15.335 0.991) 16.016 6.445 ( -10.516 8.453 -3.863) 14.035 6.923 ( -3.629 -3.928 -0.407) 5.363 8.031 ( 5.842 1.690 0.936) 6.153 8.545 ( -7.538 -7.276 -2.226) 10.711 ======================= Grid point 282 (108/288) ======================= q-point: ( 0.64 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 2.062 5.394 0.654) 5.811 2.123 ( 0.967 -0.263 -0.039) 1.003 2.168 ( 0.469 -0.073 -0.575) 0.745 3.309 ( 3.580 1.180 -0.130) 3.772 4.542 ( 5.242 6.050 2.427) 8.365 4.609 ( 0.540 8.225 1.758) 8.428 4.738 ( -8.240 1.431 3.214) 8.960 5.080 ( 15.278 -3.050 -5.294) 16.454 6.303 ( -7.526 0.261 -2.520) 7.941 6.843 ( -1.845 -2.727 0.037) 3.292 8.126 ( 1.695 4.408 0.365) 4.737 8.390 ( -2.990 -6.061 -0.159) 6.760 ======================= Grid point 283 (109/288) ======================= q-point: (-0.29 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( -3.845 4.266 0.628) 5.778 2.132 ( 0.155 0.081 -0.236) 0.294 2.165 ( 2.365 -2.734 -0.494) 3.649 3.338 ( -0.097 -0.719 -0.825) 1.099 4.585 ( -6.316 2.570 1.325) 6.947 4.632 ( -1.241 -0.781 0.353) 1.508 4.659 ( -3.322 3.186 2.369) 5.177 5.244 ( 0.908 5.800 -4.991) 7.705 6.277 ( 7.617 -3.871 1.404) 8.659 6.812 ( 0.787 -1.643 0.092) 1.824 8.169 ( -3.845 6.369 0.473) 7.455 8.323 ( 3.068 -6.189 -0.272) 6.913 ======================= Grid point 284 (110/288) ======================= q-point: (-0.21 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -6.734 -0.333 0.539) 6.764 2.134 ( 0.007 0.232 -0.233) 0.329 2.190 ( 1.216 0.359 -0.272) 1.297 3.303 ( -3.866 1.658 0.250) 4.214 4.392 ( -16.931 -1.018 1.898) 17.067 4.584 ( -3.551 -0.387 0.080) 3.573 4.688 ( 3.754 -1.334 0.256) 3.992 5.229 ( -4.697 4.717 -1.452) 6.813 6.405 ( 8.109 -3.268 -1.271) 8.835 6.842 ( 3.652 -0.114 0.023) 3.654 8.110 ( -5.769 -0.392 0.229) 5.787 8.398 ( 8.695 0.230 -0.103) 8.698 ======================= Grid point 285 (111/288) ======================= q-point: (-0.14 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -7.379 -1.131 0.546) 7.485 2.128 ( -1.542 0.436 -0.234) 1.619 2.195 ( -1.654 1.519 -1.000) 2.458 3.258 ( -6.481 6.465 2.510) 9.492 4.033 ( -21.613 -6.101 2.569) 22.604 4.513 ( -5.367 1.475 -0.512) 5.589 4.742 ( 4.957 -3.106 -1.446) 6.026 5.223 ( 0.521 2.035 2.879) 3.564 6.427 ( -1.362 -1.243 -4.433) 4.801 6.921 ( 5.203 0.514 -0.421) 5.245 7.995 ( -4.903 -4.375 0.483) 6.589 8.593 ( 12.825 1.875 -1.598) 13.060 ======================= Grid point 286 (112/288) ======================= q-point: (-0.07 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -7.922 0.170 0.093) 7.924 2.060 ( -7.677 1.054 -2.825) 8.248 2.167 ( -2.802 1.918 -0.856) 3.502 3.224 ( -8.064 8.969 3.567) 12.578 3.594 ( -23.667 -5.905 2.856) 24.559 4.432 ( -7.082 4.092 -2.547) 8.566 4.766 ( 3.331 -5.422 -2.942) 7.010 5.314 ( 6.176 1.256 8.027) 10.206 6.354 ( -4.068 1.241 -3.118) 5.273 7.013 ( 5.683 -0.301 -0.993) 5.777 7.870 ( -4.051 -6.001 0.789) 7.284 8.822 ( 13.598 0.265 -5.409) 14.636 ======================= Grid point 293 (113/288) ======================= q-point: ( 0.43 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -0.000 2.655 -0.898) 2.803 2.028 ( -0.000 5.053 -9.229) 10.522 2.096 ( -0.000 2.144 0.363) 2.174 3.007 ( 0.000 8.067 3.975) 8.993 3.157 ( -0.000 17.513 -0.296) 17.516 4.474 ( -0.000 8.713 -5.961) 10.557 4.705 ( 0.000 -0.848 0.950) 1.274 5.236 ( 0.000 -13.458 7.626) 15.468 6.589 ( -0.000 19.260 2.695) 19.448 7.125 ( 0.000 -6.696 0.101) 6.697 7.709 ( -0.000 0.251 -0.087) 0.266 8.995 ( -0.000 -11.958 -7.999) 14.387 ======================= Grid point 294 (114/288) ======================= q-point: ( 0.50 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 3.644 2.518 -0.315) 4.440 2.031 ( 1.754 0.285 -6.426) 6.667 2.137 ( -0.064 4.479 0.249) 4.486 3.103 ( 0.979 7.384 3.392) 8.184 3.448 ( 15.606 13.970 1.002) 20.970 4.527 ( -0.295 6.977 -2.357) 7.370 4.724 ( 2.601 -1.805 -0.461) 3.199 5.089 ( -2.847 -14.559 4.730) 15.570 6.752 ( -5.590 20.249 1.078) 21.034 7.045 ( -2.719 -4.539 -0.905) 5.368 7.770 ( 6.527 0.061 0.275) 6.533 8.804 ( -5.297 -11.782 -5.861) 14.185 ======================= Grid point 295 (115/288) ======================= q-point: ( 0.57 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 6.109 2.342 0.325) 6.551 2.060 ( 2.760 0.036 -1.924) 3.365 2.173 ( -0.113 3.142 -0.160) 3.148 3.200 ( 2.098 4.818 2.488) 5.814 3.933 ( 25.478 11.758 2.716) 28.192 4.587 ( 0.241 5.894 -0.904) 5.968 4.733 ( 2.501 -5.312 -2.224) 6.279 4.925 ( -2.907 -9.710 3.452) 10.708 6.762 ( -13.517 13.995 -2.372) 19.601 6.948 ( -3.587 -3.005 -0.933) 4.771 7.907 ( 8.821 0.043 0.386) 8.830 8.589 ( -6.413 -7.842 -2.467) 10.426 ======================= Grid point 296 (116/288) ======================= q-point: ( 0.64 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 6.384 1.629 -0.030) 6.588 2.098 ( 1.776 0.003 0.149) 1.782 2.186 ( -1.058 1.119 0.051) 1.541 3.277 ( 2.439 1.582 1.375) 3.216 4.484 ( 19.056 12.032 3.147) 22.756 4.645 ( 2.968 3.320 -1.128) 4.594 4.691 ( 7.830 -12.567 -4.166) 15.382 4.852 ( -1.850 -0.573 4.560) 4.954 6.566 ( -18.290 5.636 -3.575) 19.470 6.868 ( -3.296 -1.374 -0.136) 3.573 8.053 ( 8.088 0.395 -0.071) 8.098 8.432 ( -5.793 -3.049 -0.090) 6.547 ======================= Grid point 297 (117/288) ======================= q-point: (-0.29 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 5.469 -0.403 -0.568) 5.513 2.117 ( 0.244 -0.188 0.430) 0.529 2.155 ( -2.920 0.444 0.196) 2.960 3.321 ( 1.851 -0.111 0.255) 1.872 4.603 ( 0.572 -0.636 -0.149) 0.868 4.640 ( -0.646 -0.296 -0.142) 0.725 4.764 ( -2.975 -4.100 -3.026) 5.900 5.087 ( 20.713 3.590 3.831) 21.368 6.313 ( -12.569 2.016 -0.639) 12.746 6.814 ( -1.943 -0.066 -0.042) 1.945 8.182 ( 6.640 -0.038 -0.222) 6.644 8.316 ( -6.284 -0.223 0.137) 6.289 ======================= Grid point 298 (118/288) ======================= q-point: (-0.21 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -3.513 -4.876 -0.180) 6.012 2.133 ( 0.556 0.521 -0.073) 0.765 2.174 ( 2.002 3.011 0.291) 3.627 3.352 ( 0.972 2.182 0.447) 2.430 4.557 ( -7.931 -8.500 -1.007) 11.669 4.627 ( -0.934 0.394 -0.131) 1.022 4.636 ( -0.316 -2.399 -0.418) 2.456 5.314 ( 1.853 0.715 1.905) 2.753 6.256 ( 3.557 1.936 -0.615) 4.097 6.811 ( 0.819 1.538 -0.040) 1.743 8.162 ( -4.023 -6.812 -0.205) 7.914 8.327 ( 3.468 6.369 0.113) 7.253 ======================= Grid point 299 (119/288) ======================= q-point: (-0.14 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -4.790 -3.847 0.129) 6.145 2.143 ( 0.058 0.674 0.038) 0.677 2.228 ( 0.496 2.932 -0.008) 2.973 3.406 ( -0.791 7.716 1.879) 7.981 4.243 ( -14.101 -13.477 0.969) 19.529 4.599 ( -2.879 1.105 -0.018) 3.084 4.651 ( 2.441 -1.615 -1.138) 3.141 5.261 ( -4.225 -3.588 3.338) 6.471 6.366 ( 5.392 2.076 -4.709) 7.454 6.866 ( 3.009 2.446 -0.189) 3.882 8.015 ( -4.635 -7.496 -0.049) 8.813 8.469 ( 6.348 5.496 -0.091) 8.397 ======================= Grid point 300 (120/288) ======================= q-point: (-0.07 0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -5.200 -2.121 -0.005) 5.616 2.141 ( -1.675 1.179 -0.669) 2.155 2.239 ( -2.621 3.319 -0.880) 4.320 3.465 ( -5.682 12.307 1.922) 13.690 3.865 ( -16.478 -11.340 3.214) 20.259 4.551 ( -4.400 2.166 -0.010) 4.904 4.663 ( 2.319 -3.369 -2.328) 4.706 5.207 ( 4.130 -7.231 4.731) 9.577 6.413 ( -0.954 3.396 -4.877) 6.018 6.941 ( 3.348 1.750 -0.687) 3.840 7.870 ( -3.819 -7.401 0.237) 8.332 8.637 ( 8.634 3.160 -2.163) 9.445 ======================= Grid point 308 (121/288) ======================= q-point: ( 0.50 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.000 1.569 -0.545) 1.661 1.995 ( -0.000 0.072 -4.131) 4.132 2.175 ( -0.000 2.999 0.222) 3.007 3.174 ( 0.000 5.185 4.721) 7.012 3.423 ( -0.000 9.697 -0.192) 9.699 4.586 ( -0.000 6.432 -0.295) 6.439 4.700 ( 0.000 -0.323 0.370) 0.491 4.973 ( 0.000 -15.085 1.605) 15.170 6.977 ( -0.000 7.815 0.615) 7.839 7.063 ( -0.000 8.731 -1.300) 8.827 7.711 ( -0.000 0.077 -0.181) 0.197 8.713 ( -0.000 -11.433 -4.383) 12.245 ======================= Grid point 309 (122/288) ======================= q-point: ( 0.57 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 4.317 0.976 -0.082) 4.426 2.014 ( 2.260 0.874 -0.373) 2.451 2.198 ( -0.023 1.582 0.457) 1.647 3.228 ( 0.359 2.302 4.119) 4.733 3.644 ( 16.975 5.103 0.932) 17.750 4.641 ( -1.253 4.894 0.353) 5.064 4.694 ( -0.464 -0.900 -0.698) 1.230 4.849 ( 1.040 -9.727 0.524) 9.797 6.968 ( -1.878 -1.013 -0.341) 2.161 7.094 ( -10.120 10.431 -3.249) 14.892 7.772 ( 6.569 0.055 -0.126) 6.570 8.589 ( -2.787 -5.717 -1.319) 6.496 ======================= Grid point 310 (123/288) ======================= q-point: (-0.36 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 6.409 -0.189 -0.337) 6.421 2.068 ( 2.337 0.987 1.377) 2.887 2.207 ( -0.329 0.261 0.718) 0.832 3.258 ( 1.153 -0.993 2.802) 3.188 4.056 ( 27.627 -1.760 -0.125) 27.683 4.624 ( -1.472 0.829 -0.207) 1.702 4.673 ( -1.103 0.080 -0.713) 1.316 4.844 ( 2.003 -0.540 1.950) 2.847 6.891 ( -12.510 -0.020 -4.450) 13.278 6.930 ( -7.330 1.459 0.393) 7.484 7.904 ( 8.874 -0.243 -0.501) 8.891 8.508 ( -4.619 1.125 0.813) 4.823 ======================= Grid point 311 (124/288) ======================= q-point: (-0.29 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 6.277 -2.291 -0.886) 6.740 2.108 ( 1.075 0.519 1.030) 1.576 2.193 ( -1.254 -0.601 0.681) 1.548 3.272 ( 2.426 -2.835 0.944) 3.849 4.397 ( 18.782 -13.165 -5.205) 23.520 4.635 ( 0.351 -3.593 -1.266) 3.826 4.716 ( 2.161 9.717 -1.194) 10.025 4.900 ( 6.323 1.661 7.598) 10.024 6.594 ( -16.673 -1.601 -0.894) 16.774 6.870 ( -3.667 1.619 0.094) 4.009 8.047 ( 8.266 -0.836 -0.687) 8.336 8.441 ( -6.707 3.919 0.747) 7.804 ======================= Grid point 312 (125/288) ======================= q-point: (-0.21 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 2.377 -5.931 -1.079) 6.480 2.128 ( 0.667 0.425 0.373) 0.874 2.180 ( 0.370 0.793 0.641) 1.085 3.309 ( 4.603 -1.051 -0.214) 4.726 4.461 ( 6.106 -13.760 -4.739) 15.782 4.588 ( 0.539 -4.561 -0.425) 4.613 4.700 ( -5.503 1.409 -1.017) 5.770 5.174 ( 13.155 2.308 4.027) 13.950 6.361 ( -9.743 1.423 2.969) 10.284 6.842 ( -1.980 2.879 -0.048) 3.495 8.117 ( 1.859 -5.014 -0.488) 5.369 8.394 ( -3.456 7.049 0.217) 7.854 ======================= Grid point 313 (126/288) ======================= q-point: (-0.14 -0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -1.277 -6.057 -0.358) 6.201 2.142 ( 0.668 0.281 0.239) 0.764 2.225 ( 2.582 1.633 0.451) 3.088 3.416 ( 6.704 3.659 0.014) 7.638 4.264 ( -6.611 -17.992 -3.283) 19.447 4.599 ( 2.731 -1.872 -0.022) 3.311 4.642 ( -2.510 0.646 0.730) 2.693 5.276 ( -0.946 -4.432 0.469) 4.556 6.332 ( 0.968 4.418 1.962) 4.930 6.864 ( 0.669 3.631 0.131) 3.694 8.017 ( -4.369 -7.640 -0.306) 8.806 8.466 ( 1.820 7.729 0.427) 7.951 ======================= Grid point 314 (127/288) ======================= q-point: (-0.07 0.50 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -2.385 -4.131 -0.000) 4.770 2.157 ( 0.371 0.642 0.000) 0.742 2.280 ( 1.232 2.135 -0.000) 2.465 3.594 ( 5.614 9.723 -0.000) 11.227 3.947 ( -9.271 -16.057 -0.000) 18.541 4.610 ( -0.231 -0.400 -0.000) 0.462 4.620 ( -0.538 -0.932 0.000) 1.076 5.128 ( -5.495 -9.517 -0.000) 10.990 6.426 ( 2.746 4.756 0.000) 5.491 6.922 ( 1.783 3.088 -0.000) 3.565 7.865 ( -4.208 -7.288 -0.000) 8.415 8.578 ( 3.243 5.618 -0.000) 6.487 ======================= Grid point 324 (128/288) ======================= q-point: (-0.43 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 0.000 0.314 0.337) 0.461 2.013 ( 0.000 2.154 2.656) 3.419 2.209 ( 0.000 0.272 1.133) 1.165 3.247 ( 0.000 -1.568 5.850) 6.056 3.522 ( 0.000 0.285 0.550) 0.620 4.689 ( -0.000 -0.459 -1.424) 1.496 4.692 ( -0.000 -4.530 -1.845) 4.891 4.771 ( 0.000 3.845 1.417) 4.098 6.978 ( -0.000 0.140 -0.520) 0.538 7.225 ( -0.000 -0.590 -5.592) 5.623 7.711 ( -0.000 0.094 -0.094) 0.133 8.591 ( 0.000 2.334 1.310) 2.676 ======================= Grid point 325 (129/288) ======================= q-point: (-0.36 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 3.806 -0.745 0.260) 3.887 2.060 ( 1.222 2.334 3.620) 4.477 2.210 ( -0.106 -1.012 1.798) 2.066 3.231 ( 0.101 -5.095 4.758) 6.972 3.644 ( 15.929 -5.723 0.831) 16.947 4.622 ( -0.141 -3.508 -1.311) 3.747 4.686 ( 0.531 0.730 -1.376) 1.646 4.854 ( 0.145 7.365 0.863) 7.417 6.960 ( -2.643 -0.405 -1.679) 3.157 7.073 ( -7.789 -8.273 -4.649) 12.277 7.768 ( 6.195 -0.146 -0.424) 6.211 8.632 ( -3.543 9.121 2.668) 10.142 ======================= Grid point 326 (130/288) ======================= q-point: (-0.29 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 5.317 -2.678 -0.523) 5.976 2.105 ( 0.723 1.051 2.004) 2.376 2.195 ( -0.448 -2.357 2.042) 3.150 3.195 ( 1.644 -6.817 2.282) 7.375 3.888 ( 21.990 -12.803 -1.904) 25.517 4.587 ( -0.076 -4.672 -0.824) 4.745 4.777 ( 5.172 9.701 1.240) 11.063 4.893 ( -2.205 3.367 1.162) 4.189 6.751 ( -9.782 -11.739 -3.376) 15.649 6.962 ( -4.051 2.841 0.297) 4.957 7.893 ( 8.567 -0.419 -0.875) 8.622 8.639 ( -8.045 10.201 2.292) 13.192 ======================= Grid point 327 (131/288) ======================= q-point: (-0.21 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 4.358 -5.654 -1.418) 7.278 2.120 ( 0.509 -0.408 0.530) 0.840 2.171 ( 0.155 -2.516 1.966) 3.197 3.192 ( 5.078 -5.037 -0.060) 7.152 4.076 ( 17.719 -17.377 -4.213) 25.173 4.526 ( 0.135 -6.399 -0.167) 6.403 4.825 ( -6.825 3.388 -1.929) 7.860 5.043 ( 10.345 8.060 4.702) 13.932 6.499 ( -7.405 -7.592 1.392) 10.696 6.929 ( -3.960 4.118 0.155) 5.715 8.010 ( 6.013 -2.407 -1.063) 6.563 8.588 ( -9.306 9.868 1.861) 13.691 ======================= Grid point 328 (132/288) ======================= q-point: (-0.14 -0.43 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 2.245 -7.102 -1.024) 7.519 2.124 ( 1.201 -1.561 0.510) 2.035 2.183 ( 2.700 -1.040 1.445) 3.235 3.278 ( 9.344 -1.576 -1.490) 9.593 4.068 ( 5.406 -21.865 -4.619) 22.992 4.506 ( 4.189 -4.410 0.812) 6.136 4.731 ( -6.121 1.729 0.664) 6.395 5.243 ( 3.565 4.069 -1.123) 5.525 6.382 ( -1.954 -1.942 4.492) 5.269 6.917 ( -2.260 4.460 0.403) 5.016 8.002 ( -1.672 -6.264 -0.849) 6.539 8.575 ( -4.293 10.608 2.101) 11.635 ======================= Grid point 339 (133/288) ======================= q-point: (-0.36 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.000 -1.255 0.748) 1.460 2.090 ( 0.000 2.497 3.886) 4.619 2.203 ( 0.000 -2.310 3.440) 4.144 3.179 ( 0.000 -9.122 5.674) 10.743 3.438 ( 0.000 -9.611 1.220) 9.688 4.591 ( 0.000 -1.470 0.283) 1.497 4.672 ( -0.000 0.292 -2.346) 2.365 4.950 ( -0.000 9.997 -0.748) 10.025 6.921 ( -0.000 -14.828 -6.177) 16.063 7.048 ( -0.000 -0.862 -1.348) 1.600 7.712 ( -0.000 0.007 -0.023) 0.024 8.795 ( 0.000 14.194 3.373) 14.590 ======================= Grid point 340 (134/288) ======================= q-point: (-0.29 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 2.630 -2.728 0.149) 3.792 2.112 ( 0.004 -0.327 1.072) 1.121 2.185 ( -0.630 -3.303 4.620) 5.714 3.102 ( 0.708 -9.996 3.880) 10.746 3.447 ( 13.548 -14.540 0.653) 19.885 4.561 ( -2.154 -3.100 0.667) 3.833 4.742 ( 6.753 4.775 1.468) 8.400 5.010 ( -3.311 8.098 -2.693) 9.154 6.689 ( -3.257 -18.633 -5.227) 19.624 7.050 ( -2.299 4.189 -0.229) 4.784 7.763 ( 5.743 -0.183 -0.376) 5.758 8.897 ( -6.136 14.314 2.983) 15.857 ======================= Grid point 341 (135/288) ======================= q-point: (-0.21 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 3.217 -5.625 -1.187) 6.588 2.093 ( 0.570 -4.395 0.217) 4.437 2.152 ( -0.559 -3.384 3.317) 4.772 3.058 ( 3.533 -7.164 1.374) 8.105 3.571 ( 18.954 -18.426 -1.154) 26.460 4.472 ( -1.997 -7.293 0.593) 7.584 4.949 ( 2.090 1.932 7.764) 8.269 4.994 ( 1.512 10.308 -6.998) 12.550 6.471 ( -2.363 -12.682 -1.527) 12.991 7.043 ( -3.872 5.155 -0.211) 6.450 7.874 ( 7.335 -1.035 -0.934) 7.466 8.887 ( -11.109 12.677 2.965) 17.114 ======================= Grid point 342 (136/288) ======================= q-point: (-0.14 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 3.512 -8.010 -1.575) 8.887 2.061 ( 2.048 -6.693 1.690) 7.201 2.139 ( 1.474 -2.042 1.672) 3.023 3.098 ( 7.465 -3.758 -1.300) 8.458 3.662 ( 14.432 -22.480 -2.653) 26.845 4.394 ( 2.512 -7.922 1.729) 8.489 4.868 ( -7.404 1.494 1.192) 7.646 5.215 ( 7.195 7.815 -2.328) 10.875 6.362 ( -0.031 -5.998 1.428) 6.166 7.024 ( -4.209 5.379 0.153) 6.832 7.939 ( 2.592 -4.063 -1.278) 4.986 8.827 ( -10.398 12.282 4.193) 16.629 ======================= Grid point 354 (137/288) ======================= q-point: (-0.29 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.000 -3.425 -0.100) 3.426 2.085 ( 0.000 -5.724 0.124) 5.726 2.178 ( 0.000 -3.377 3.698) 5.008 3.012 ( 0.000 -9.580 4.866) 10.745 3.176 ( 0.000 -17.568 1.597) 17.641 4.597 ( 0.000 -3.025 5.491) 6.269 4.681 ( -0.000 1.996 -1.294) 2.379 5.106 ( -0.000 6.987 -4.366) 8.239 6.516 ( -0.000 -16.480 -4.515) 17.087 7.116 ( -0.000 5.508 -0.781) 5.563 7.709 ( 0.000 -0.320 -0.041) 0.323 9.105 ( -0.000 14.627 2.594) 14.855 ======================= Grid point 355 (138/288) ======================= q-point: (-0.21 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.951 -5.920 -1.470) 6.174 2.012 ( 0.839 -10.227 0.582) 10.278 2.131 ( -0.665 -5.470 0.545) 5.537 2.961 ( 1.290 -5.667 3.746) 6.914 3.114 ( 12.475 -19.476 1.562) 23.182 4.460 ( -5.894 -10.727 2.398) 12.472 4.840 ( 11.704 2.258 3.053) 12.305 5.106 ( -4.458 4.130 -4.588) 7.615 6.382 ( -0.651 -7.039 -1.839) 7.304 7.149 ( -2.396 6.077 -1.166) 6.635 7.754 ( 5.297 -0.572 -0.345) 5.339 9.185 ( -7.330 13.040 2.511) 15.168 ======================= Grid point 356 (139/288) ======================= q-point: (-0.14 -0.29 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 1.893 -9.626 -2.496) 10.123 1.936 ( 2.881 -12.068 2.127) 12.588 2.084 ( 1.763 -5.060 -0.260) 5.364 2.971 ( 3.705 -2.627 0.743) 4.602 3.178 ( 16.077 -20.791 0.532) 26.288 4.271 ( -0.241 -15.634 2.261) 15.799 5.000 ( -5.019 -1.067 6.438) 8.232 5.104 ( 10.582 5.359 -8.131) 14.381 6.338 ( -1.346 1.007 -0.048) 1.682 7.150 ( -3.969 6.064 -1.032) 7.320 7.838 ( 5.085 -2.095 -0.923) 5.576 9.150 ( -11.246 11.772 4.137) 16.798 ======================= Grid point 369 (140/288) ======================= q-point: (-0.21 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -0.000 -7.323 -2.715) 7.810 1.872 ( 0.000 -16.136 -0.862) 16.159 2.061 ( -0.000 -8.803 -2.335) 9.108 2.813 ( 0.000 -20.119 3.016) 20.344 2.938 ( 0.000 -1.142 5.219) 5.342 4.384 ( 0.000 -23.970 2.426) 24.093 4.730 ( -0.000 3.197 0.372) 3.219 5.165 ( -0.000 1.793 -1.359) 2.250 6.372 ( -0.000 4.215 -0.137) 4.218 7.228 ( -0.000 6.710 -2.202) 7.063 7.699 ( 0.000 -0.642 0.023) 0.643 9.378 ( -0.000 11.890 1.726) 12.014 ======================= Grid point 370 (141/288) ======================= q-point: (-0.14 -0.21 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -0.990 -12.067 -4.422) 12.890 1.734 ( 4.439 -17.586 -0.648) 18.149 1.974 ( 2.111 -9.741 -2.218) 10.210 2.730 ( 10.486 -18.917 2.658) 21.791 2.963 ( 0.717 1.266 3.762) 4.034 4.082 ( -1.505 -29.192 0.786) 29.242 4.877 ( 11.524 1.699 0.288) 11.652 5.129 ( -4.649 -0.242 0.331) 4.667 6.436 ( -2.350 11.126 0.933) 11.410 7.262 ( -2.600 6.573 -2.490) 7.494 7.736 ( 4.462 -0.993 -0.211) 4.576 9.428 ( -7.061 10.348 2.460) 12.767 ======================= Grid point 384 (142/288) ======================= q-point: (-0.14 -0.14 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -0.000 -14.307 -6.006) 15.516 1.467 ( -0.000 -22.535 -4.946) 23.071 1.828 ( 0.000 -14.116 -1.307) 14.177 2.482 ( 0.000 -15.771 5.079) 16.568 2.998 ( 0.000 3.584 2.484) 4.360 3.756 ( 0.000 -37.467 -1.804) 37.510 4.802 ( 0.000 3.377 1.293) 3.616 5.162 ( 0.000 -3.116 3.541) 4.717 6.602 ( -0.000 16.003 1.908) 16.116 7.341 ( -0.000 6.668 -3.290) 7.435 7.687 ( 0.000 -0.720 0.271) 0.769 9.589 ( -0.000 8.888 1.124) 8.959 ======================= Grid point 431 (143/288) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 -0.000 23.973) 23.973 0.478 ( 0.000 -0.000 23.973) 23.973 0.786 ( 0.000 -0.000 39.454) 39.454 2.078 ( -0.000 0.000 -5.010) 5.010 2.078 ( -0.000 0.000 -5.010) 5.010 3.547 ( -0.000 0.000 -8.492) 8.492 4.922 ( -0.000 0.000 -0.407) 0.407 4.922 ( -0.000 0.000 -0.407) 0.407 7.256 ( -0.000 0.000 -1.116) 1.116 7.672 ( 0.000 -0.000 0.663) 0.663 7.672 ( 0.000 -0.000 0.663) 0.663 9.051 ( 0.000 -0.000 1.043) 1.043 ======================= Grid point 432 (144/288) ======================= q-point: ( 0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 10.923 6.306 15.751) 20.178 0.676 ( 7.645 4.414 20.414) 22.241 1.264 ( 23.285 13.444 24.705) 36.514 2.151 ( 5.821 3.361 -3.607) 7.629 2.255 ( 16.794 9.696 -11.765) 22.682 3.257 ( -13.155 -7.595 -1.794) 15.296 4.919 ( -0.799 -0.461 -0.215) 0.948 5.064 ( 10.336 5.967 1.107) 11.986 7.120 ( -8.244 -4.760 -2.720) 9.901 7.686 ( 0.565 0.326 0.917) 1.125 7.744 ( 0.057 0.033 11.293) 11.294 9.270 ( 8.856 5.113 -23.362) 25.502 ======================= Grid point 433 (145/288) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 11.666 6.735 9.300) 16.369 0.974 ( 13.247 7.648 7.691) 17.121 1.747 ( 13.414 7.745 11.331) 19.192 2.318 ( 9.939 5.739 -2.092) 11.666 2.724 ( 25.794 14.892 -10.028) 31.427 3.066 ( -1.637 -0.945 -3.919) 4.351 4.885 ( -2.066 -1.193 -0.348) 2.411 5.330 ( 11.614 6.705 5.793) 14.608 6.890 ( -11.127 -6.424 -3.212) 13.244 7.699 ( -8.112 -4.684 17.121) 19.516 7.700 ( 0.410 0.237 0.843) 0.967 9.256 ( -1.012 -0.585 -25.075) 25.102 ======================= Grid point 434 (146/288) ======================= q-point: ( 0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 14.022 8.096 0.289) 16.194 1.266 ( 11.000 6.351 3.010) 13.054 1.980 ( 6.543 3.778 2.809) 8.061 2.580 ( 13.645 7.878 -0.996) 15.788 2.974 ( 4.294 2.479 -2.672) 5.632 3.437 ( 28.376 16.383 -7.326) 33.575 4.827 ( -2.960 -1.709 -0.374) 3.439 5.586 ( 8.226 4.749 8.569) 12.792 6.627 ( -10.849 -6.264 -1.698) 12.642 7.504 ( -13.134 -7.583 13.111) 20.047 7.708 ( 0.056 0.032 0.505) 0.509 9.117 ( -4.233 -2.444 -20.041) 20.628 ======================= Grid point 435 (147/288) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 7.897 4.559 0.567) 9.136 1.575 ( 15.276 8.819 -4.297) 18.155 2.095 ( 3.901 2.252 -0.199) 4.509 2.905 ( 15.047 8.688 -0.762) 17.392 3.121 ( 9.144 5.280 0.227) 10.562 3.996 ( 22.083 12.750 -6.565) 26.331 4.754 ( -3.420 -1.975 0.152) 3.953 5.706 ( -1.090 -0.629 7.543) 7.648 6.434 ( -5.477 -3.162 1.875) 6.596 7.235 ( -12.213 -7.051 4.900) 14.929 7.707 ( -0.185 -0.107 0.144) 0.258 8.953 ( -5.330 -3.077 -12.631) 14.051 ======================= Grid point 436 (148/288) ======================= q-point: ( 0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 5.182 2.992 -0.465) 6.002 1.885 ( 13.021 7.518 -5.459) 15.996 2.171 ( 3.168 1.829 -0.521) 3.695 3.225 ( 13.218 7.631 -1.067) 15.300 3.368 ( 12.541 7.241 -1.197) 14.530 4.361 ( 12.158 7.019 -3.715) 14.522 4.678 ( -3.490 -2.015 1.276) 4.228 5.547 ( -14.431 -8.332 2.225) 16.812 6.418 ( 2.710 1.565 6.901) 7.578 7.042 ( -5.162 -2.980 -0.152) 5.963 7.703 ( -0.149 -0.086 -0.025) 0.174 8.803 ( -5.100 -2.945 -6.540) 8.801 ======================= Grid point 437 (149/288) ======================= q-point: ( 0.57 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 2.785 1.608 -0.751) 3.303 2.089 ( 6.124 3.536 -4.293) 8.273 2.244 ( 3.748 2.164 -1.456) 4.566 3.469 ( 8.344 4.817 -1.333) 9.727 3.641 ( 11.653 6.728 -6.873) 15.109 4.552 ( 6.284 3.628 0.171) 7.258 4.611 ( -2.882 -1.664 2.476) 4.148 5.136 ( -19.648 -11.344 -2.644) 22.841 6.560 ( 5.770 3.331 11.552) 13.336 6.987 ( -0.310 -0.179 -0.517) 0.629 7.702 ( 0.034 0.020 0.021) 0.045 8.693 ( -2.841 -1.640 -3.547) 4.831 ======================= Grid point 438 (150/288) ======================= q-point: (-0.36 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 0.487 0.281 -0.604) 0.825 2.152 ( 1.222 0.705 -2.228) 2.637 2.304 ( 1.412 0.815 -2.304) 2.822 3.569 ( 0.563 0.325 -1.239) 1.399 3.755 ( -1.039 -0.600 -13.229) 13.284 4.575 ( -0.824 -0.476 2.843) 2.998 4.615 ( -3.302 -1.907 1.196) 3.997 4.847 ( 0.687 0.397 -2.582) 2.701 6.684 ( 0.385 0.222 13.605) 13.613 6.995 ( 0.516 0.298 0.815) 1.009 7.704 ( 0.142 0.082 0.164) 0.232 8.678 ( 2.898 1.673 -1.813) 3.806 ======================= Grid point 439 (151/288) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -1.812 -1.046 -0.074) 2.094 2.149 ( -1.010 -0.583 -0.915) 1.482 2.282 ( -2.876 -1.660 -0.469) 3.354 3.478 ( -8.256 -4.766 -1.069) 9.593 3.507 ( -14.198 -8.197 -12.533) 20.636 4.591 ( 1.856 1.072 0.849) 2.305 4.596 ( 1.882 1.086 1.996) 2.950 4.992 ( 9.001 5.197 -4.810) 11.453 6.629 ( -8.901 -5.139 11.277) 15.258 7.020 ( 1.940 1.120 0.912) 2.418 7.708 ( 0.071 0.041 0.245) 0.258 8.822 ( 9.635 5.563 1.552) 11.233 ======================= Grid point 440 (152/288) ======================= q-point: (-0.21 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -4.299 -2.482 0.981) 5.060 2.077 ( -6.561 -3.788 1.655) 7.754 2.187 ( -5.188 -2.995 1.298) 6.130 3.166 ( -11.189 -6.460 -9.317) 15.929 3.211 ( -14.572 -8.413 -1.655) 16.907 4.611 ( -3.412 -1.970 4.763) 6.182 4.661 ( 3.197 1.846 0.662) 3.750 5.150 ( 6.429 3.712 -9.500) 12.056 6.423 ( -9.070 -5.237 4.659) 11.463 7.095 ( 4.186 2.417 1.445) 5.045 7.707 ( -0.171 -0.099 0.138) 0.241 9.088 ( 12.305 7.105 4.225) 14.824 ======================= Grid point 441 (153/288) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -7.568 -4.369 2.894) 9.205 1.844 ( -14.877 -8.589 5.007) 17.894 2.050 ( -7.811 -4.509 -0.129) 9.020 2.844 ( -16.624 -9.598 -3.155) 19.453 2.991 ( -2.262 -1.306 -5.322) 5.929 4.367 ( -20.876 -12.053 5.800) 24.793 4.735 ( 3.288 1.898 -0.547) 3.836 5.203 ( 1.150 0.664 -8.758) 8.859 6.372 ( 5.030 2.904 -0.328) 5.817 7.208 ( 5.319 3.071 1.790) 6.398 7.700 ( -0.473 -0.273 -0.109) 0.557 9.369 ( 11.111 6.415 3.511) 13.302 ======================= Grid point 446 (154/288) ======================= q-point: ( 0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.000 14.718 15.315) 21.240 0.854 ( 0.000 16.059 19.186) 25.020 1.283 ( 0.000 19.539 27.569) 33.791 2.028 ( -0.000 1.960 -7.995) 8.232 2.330 ( -0.000 24.672 -8.047) 25.951 3.267 ( -0.000 -13.788 -4.694) 14.565 4.891 ( -0.000 -2.149 -0.844) 2.309 5.012 ( 0.000 5.684 2.276) 6.123 7.109 ( -0.000 -10.317 -2.467) 10.608 7.671 ( 0.000 -0.066 0.589) 0.593 7.752 ( 0.000 -1.367 10.304) 10.395 9.274 ( -0.000 15.331 -20.003) 25.202 ======================= Grid point 447 (155/288) ======================= q-point: ( 0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 4.156 15.136 10.633) 18.959 1.035 ( -1.040 16.867 14.255) 22.108 1.667 ( 11.279 12.026 15.401) 22.562 2.151 ( 12.297 5.142 -5.958) 14.600 2.643 ( 8.097 31.272 -8.322) 33.358 3.076 ( -4.472 -7.125 -5.441) 10.019 4.901 ( 0.939 -1.043 -1.490) 2.047 5.164 ( 10.967 3.479 4.893) 12.503 6.938 ( -5.863 -11.361 -3.052) 13.144 7.668 ( -0.547 -3.779 3.371) 5.094 7.778 ( 1.396 -4.402 12.703) 13.516 9.274 ( -5.417 8.121 -23.117) 25.093 ======================= Grid point 448 (156/288) ======================= q-point: ( 0.36 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 4.120 11.888 8.345) 15.097 1.269 ( 4.942 16.097 3.397) 17.177 1.921 ( 6.495 5.041 4.097) 9.186 2.456 ( 14.021 11.957 -1.690) 18.505 2.925 ( 1.896 2.553 -6.058) 6.841 3.211 ( 17.982 24.536 -5.411) 30.897 4.874 ( -2.830 0.335 -1.384) 3.168 5.426 ( 14.257 -0.220 6.982) 15.876 6.696 ( -8.056 -11.021 -2.514) 13.881 7.570 ( -4.686 -11.966 8.868) 15.614 7.791 ( -2.094 1.653 7.168) 7.649 9.137 ( -7.339 2.627 -21.309) 22.691 ======================= Grid point 449 (157/288) ======================= q-point: ( 0.43 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 6.772 8.829 3.730) 11.735 1.512 ( 6.354 14.515 -1.791) 15.946 2.048 ( 4.220 2.554 -0.138) 4.934 2.812 ( 11.576 16.535 -1.726) 20.259 3.019 ( 8.182 3.875 -0.464) 9.065 3.756 ( 20.527 19.336 -5.740) 28.778 4.813 ( -4.264 0.422 -0.867) 4.371 5.633 ( 8.884 -4.460 6.758) 12.020 6.473 ( -5.592 -8.150 -0.647) 9.905 7.349 ( -9.407 -12.370 6.569) 16.872 7.788 ( -4.116 5.161 2.852) 7.191 8.967 ( -5.791 -2.013 -14.733) 15.958 ======================= Grid point 450 (158/288) ======================= q-point: ( 0.50 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 4.725 6.405 1.299) 8.064 1.768 ( 9.423 12.100 -3.980) 15.844 2.128 ( 3.461 1.472 -0.816) 3.849 3.119 ( 10.538 9.960 -2.945) 14.796 3.274 ( 10.066 14.275 1.437) 17.526 4.194 ( 15.506 10.625 -3.789) 19.175 4.739 ( -4.549 -0.067 0.223) 4.555 5.631 ( -3.980 -9.521 2.746) 10.679 6.382 ( 1.865 -3.620 3.224) 5.194 7.109 ( -7.817 -7.052 1.652) 10.657 7.774 ( -4.413 5.678 0.980) 7.258 8.815 ( -3.979 -4.761 -7.503) 9.736 ======================= Grid point 451 (159/288) ======================= q-point: ( 0.57 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 2.153 5.017 -0.041) 5.460 2.002 ( 7.696 7.129 -4.329) 11.349 2.195 ( 3.562 1.151 -0.945) 3.861 3.363 ( 10.878 5.421 -4.230) 12.869 3.574 ( 5.990 16.951 -0.729) 17.993 4.464 ( 9.061 5.198 -0.949) 10.490 4.663 ( -4.063 -0.839 1.609) 4.450 5.343 ( -16.572 -10.603 -2.913) 19.888 6.480 ( 8.842 -0.987 9.060) 12.698 6.986 ( -1.768 -2.681 -0.317) 3.227 7.760 ( -3.755 5.236 0.453) 6.459 8.694 ( -2.469 -4.908 -3.498) 6.513 ======================= Grid point 452 (160/288) ======================= q-point: ( 0.64 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -0.047 3.610 -0.469) 3.641 2.119 ( 2.887 1.993 -3.167) 4.726 2.263 ( 3.232 0.846 -2.119) 3.956 3.536 ( 6.752 1.455 -7.295) 10.046 3.751 ( -2.052 11.027 -3.150) 11.650 4.602 ( -0.431 -0.250 1.441) 1.524 4.619 ( 2.417 1.445 1.905) 3.400 4.964 ( -14.688 -2.175 -4.642) 15.557 6.655 ( 7.376 -2.346 13.399) 15.474 6.971 ( 1.678 -1.575 0.184) 2.309 7.753 ( -3.002 4.832 0.434) 5.705 8.629 ( 1.167 -2.855 -2.499) 3.969 ======================= Grid point 453 (161/288) ======================= q-point: (-0.29 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -2.151 2.002 -0.345) 2.959 2.145 ( 0.507 0.025 -1.786) 1.856 2.284 ( 0.172 -1.325 -2.034) 2.434 3.516 ( -3.599 -7.575 -11.755) 14.440 3.681 ( -13.038 5.774 -1.017) 14.295 4.588 ( -2.585 -1.115 0.824) 2.934 4.630 ( 0.662 4.474 1.870) 4.894 4.913 ( 3.982 5.988 -3.767) 8.118 6.715 ( -1.798 -5.746 12.823) 14.166 6.989 ( 2.004 -1.402 0.901) 2.606 7.754 ( -2.611 4.687 0.409) 5.381 8.691 ( 8.774 0.267 -0.864) 8.820 ======================= Grid point 454 (162/288) ======================= q-point: (-0.21 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -4.201 -0.020 0.313) 4.212 2.125 ( -2.202 -1.381 -0.333) 2.621 2.233 ( -3.026 -2.884 -0.213) 4.186 3.247 ( -10.718 -8.965 -9.780) 17.056 3.463 ( -18.244 3.193 -0.763) 18.537 4.553 ( 0.136 -3.460 1.174) 3.657 4.739 ( 1.909 8.768 2.761) 9.389 5.040 ( 6.414 2.973 -6.679) 9.726 6.559 ( -10.978 -7.746 7.597) 15.435 7.039 ( 4.371 0.176 0.949) 4.477 7.756 ( -2.711 4.573 0.276) 5.323 8.909 ( 14.686 1.784 1.696) 14.891 ======================= Grid point 455 (163/288) ======================= q-point: (-0.14 0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -6.468 -2.820 1.774) 7.276 2.008 ( -9.587 -4.029 1.473) 10.503 2.130 ( -5.823 -3.304 0.430) 6.708 3.008 ( -6.271 -3.614 -5.821) 9.289 3.131 ( -21.843 0.779 -1.876) 21.937 4.467 ( -5.763 -10.427 1.127) 11.967 4.838 ( -3.335 10.861 3.431) 11.869 5.117 ( 4.509 -1.665 -7.085) 8.562 6.364 ( -4.102 -2.765 1.791) 5.261 7.137 ( 5.955 0.966 1.325) 6.177 7.751 ( -3.018 4.122 0.131) 5.111 9.190 ( 15.319 1.108 1.515) 15.433 ======================= Grid point 461 (164/288) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.000 18.294 7.237) 19.673 1.266 ( 0.000 13.855 12.864) 18.906 1.748 ( 0.000 13.252 15.396) 20.314 2.083 ( -0.000 10.141 -7.529) 12.631 2.896 ( -0.000 35.432 -9.529) 36.691 3.017 ( -0.000 -6.347 -5.743) 8.560 4.834 ( -0.000 -2.940 -0.889) 3.072 5.163 ( 0.000 6.690 6.368) 9.236 6.851 ( 0.000 -14.181 -2.656) 14.428 7.678 ( 0.000 0.354 0.607) 0.703 7.710 ( 0.000 -10.780 14.000) 17.669 9.340 ( -0.000 6.614 -21.105) 22.117 ======================= Grid point 462 (165/288) ======================= q-point: ( 0.36 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.133 15.653 5.652) 16.642 1.406 ( -0.253 13.272 6.141) 14.626 1.916 ( 2.199 7.512 5.923) 9.816 2.329 ( 14.346 15.714 -2.008) 21.372 2.899 ( -0.543 -2.838 -8.151) 8.648 3.298 ( 5.267 35.548 -6.011) 36.435 4.856 ( 4.108 -2.158 -2.156) 5.117 5.282 ( 4.939 3.714 9.153) 11.044 6.666 ( -3.920 -14.019 -2.025) 14.697 7.564 ( -4.904 -10.654 7.574) 13.961 7.769 ( 5.669 -2.222 5.875) 8.461 9.249 ( -8.029 3.333 -19.291) 21.159 ======================= Grid point 463 (166/288) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.665 10.689 5.427) 12.006 1.582 ( 2.734 15.031 -1.069) 15.315 2.017 ( 2.473 3.761 0.501) 4.529 2.763 ( 14.850 18.503 -2.194) 23.826 2.923 ( 6.843 3.334 -0.637) 7.638 3.709 ( 8.922 27.320 -6.166) 29.394 4.868 ( -0.859 0.112 -2.636) 2.775 5.441 ( 8.904 -3.206 8.813) 12.931 6.463 ( -4.465 -10.553 -0.981) 11.501 7.376 ( -6.504 -12.054 5.014) 14.585 7.856 ( 2.809 1.054 4.844) 5.698 9.044 ( -10.255 -0.445 -15.389) 18.498 ======================= Grid point 464 (167/288) ======================= q-point: ( 0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 2.811 8.776 3.794) 9.966 1.772 ( 4.332 13.579 -3.141) 14.595 2.085 ( 2.758 1.661 -0.894) 3.341 3.017 ( 8.680 5.586 -3.472) 10.890 3.292 ( 13.203 22.895 4.027) 26.734 4.071 ( 10.930 15.936 -4.439) 19.828 4.821 ( -4.189 0.834 -1.291) 4.462 5.524 ( 4.835 -10.169 4.482) 12.120 6.335 ( -1.112 -4.847 0.132) 4.975 7.162 ( -7.130 -9.176 1.704) 11.745 7.905 ( -1.844 4.503 2.975) 5.704 8.827 ( -7.151 -4.593 -9.091) 12.445 ======================= Grid point 465 (168/288) ======================= q-point: ( 0.57 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 1.569 7.414 1.819) 7.794 1.964 ( 5.219 9.870 -2.738) 11.496 2.142 ( 3.229 0.588 -0.986) 3.427 3.213 ( 9.958 4.093 -3.202) 11.232 3.710 ( 5.853 25.884 2.896) 26.695 4.353 ( 10.121 7.631 -1.689) 12.788 4.743 ( -5.272 0.049 0.568) 5.303 5.416 ( -5.205 -11.896 -1.704) 13.096 6.343 ( 5.763 -2.488 2.724) 6.843 6.998 ( -4.026 -5.053 0.217) 6.465 7.906 ( -4.882 6.555 1.335) 8.281 8.667 ( -2.955 -6.665 -3.544) 8.107 ======================= Grid point 466 (169/288) ======================= q-point: ( 0.64 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -0.559 6.227 0.550) 6.276 2.090 ( 2.485 3.921 -2.438) 5.243 2.205 ( 3.769 0.713 -1.253) 4.036 3.385 ( 8.218 0.913 -5.389) 9.869 3.982 ( -3.441 22.742 2.241) 23.110 4.546 ( 6.511 3.313 0.034) 7.305 4.656 ( -4.150 -1.016 1.583) 4.556 5.158 ( -11.931 -4.201 -6.755) 14.339 6.484 ( 11.789 -4.718 8.474) 15.266 6.928 ( 0.115 -3.163 -0.067) 3.166 7.889 ( -5.202 7.147 0.918) 8.887 8.571 ( -0.155 -5.920 -1.716) 6.166 ======================= Grid point 467 (170/288) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -2.741 4.640 0.131) 5.391 2.128 ( 0.911 0.808 -1.895) 2.253 2.249 ( 1.684 -0.864 -1.778) 2.596 3.433 ( 1.252 -4.804 -7.887) 9.320 4.022 ( -14.303 14.993 2.670) 20.892 4.613 ( -0.111 0.822 0.379) 0.912 4.642 ( 1.809 0.732 1.068) 2.225 4.981 ( -6.015 5.949 -6.898) 10.916 6.641 ( 8.011 -7.111 11.060) 15.397 6.927 ( 2.763 -2.949 0.276) 4.051 7.879 ( -4.651 7.313 0.873) 8.710 8.551 ( 4.851 -3.903 -1.614) 6.431 ======================= Grid point 468 (171/288) ======================= q-point: (-0.21 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -4.858 2.318 0.298) 5.391 2.133 ( -0.209 -0.244 -0.996) 1.046 2.235 ( -0.749 -2.274 -1.491) 2.820 3.289 ( -7.060 -6.978 -6.932) 12.108 3.856 ( -19.854 10.201 1.332) 22.361 4.565 ( -3.542 -1.998 1.051) 4.200 4.752 ( 5.820 5.224 2.888) 8.338 4.989 ( 0.949 5.877 -7.532) 9.601 6.639 ( -3.486 -8.520 7.695) 11.998 6.960 ( 4.194 -1.872 0.431) 4.613 7.877 ( -4.384 7.024 0.662) 8.306 8.667 ( 12.899 -2.413 -0.434) 13.130 ======================= Grid point 469 (172/288) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -6.835 -0.563 1.113) 6.948 2.095 ( -3.970 -1.507 -0.031) 4.246 2.175 ( -3.060 -2.377 -1.459) 4.140 3.082 ( -8.128 -2.712 -3.530) 9.267 3.565 ( -24.518 6.360 0.283) 25.331 4.474 ( -4.488 -4.904 0.301) 6.655 4.921 ( 6.766 2.882 6.955) 10.123 5.037 ( 0.654 5.773 -9.378) 11.031 6.451 ( -9.196 -6.294 2.554) 11.433 7.039 ( 6.136 -0.623 0.559) 6.193 7.867 ( -4.492 5.608 0.561) 7.207 8.904 ( 17.064 -2.513 -0.572) 17.257 ======================= Grid point 476 (173/288) ======================= q-point: ( 0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.000 6.499 3.758) 7.507 1.513 ( -0.000 17.181 0.970) 17.208 2.010 ( 0.000 6.586 5.786) 8.766 2.354 ( -0.000 20.109 -1.945) 20.202 2.847 ( -0.000 -1.939 -6.362) 6.651 3.600 ( -0.000 36.505 -8.287) 37.434 4.773 ( 0.000 -2.662 -0.367) 2.687 5.339 ( 0.000 5.050 10.945) 12.053 6.555 ( 0.000 -13.717 -1.113) 13.762 7.536 ( 0.000 -14.342 9.764) 17.351 7.691 ( 0.000 0.531 0.504) 0.733 9.282 ( -0.000 0.435 -17.224) 17.229 ======================= Grid point 477 (174/288) ======================= q-point: ( 0.43 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -0.036 6.062 1.852) 6.339 1.687 ( 1.445 15.026 -2.183) 15.253 2.050 ( -1.113 3.616 0.553) 3.824 2.687 ( 13.410 20.079 -1.187) 24.175 2.863 ( 3.846 3.794 -0.116) 5.403 3.903 ( 0.492 29.449 -8.138) 30.557 4.800 ( 4.911 -2.060 -1.807) 5.624 5.404 ( -0.552 0.571 12.082) 12.108 6.419 ( -2.075 -8.629 -0.157) 8.876 7.373 ( -5.002 -12.297 4.673) 14.074 7.770 ( 6.953 -0.584 2.331) 7.356 9.149 ( -7.867 -2.316 -14.510) 16.667 ======================= Grid point 478 (175/288) ======================= q-point: ( 0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 2.661 6.531 2.229) 7.396 1.841 ( 2.070 12.881 -3.793) 13.586 2.071 ( 0.660 1.826 -0.712) 2.068 2.939 ( 5.920 6.529 -1.560) 8.950 3.238 ( 19.587 20.971 4.507) 29.048 4.135 ( 1.531 19.847 -5.695) 20.704 4.841 ( 1.939 -0.883 -3.131) 3.788 5.396 ( -0.020 -8.540 8.929) 12.356 6.337 ( -2.447 -0.320 -0.053) 2.469 7.184 ( -5.701 -9.439 1.075) 11.079 7.895 ( 6.379 0.379 2.805) 6.979 8.910 ( -10.594 -4.726 -10.255) 15.483 ======================= Grid point 479 (176/288) ======================= q-point: ( 0.57 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 3.036 6.732 2.247) 7.719 1.987 ( 3.162 10.068 -2.622) 10.873 2.101 ( 1.659 0.630 -0.701) 1.908 3.106 ( 7.173 5.511 -0.700) 9.073 3.794 ( 16.971 23.779 5.040) 29.645 4.314 ( 3.509 11.886 -3.088) 12.772 4.823 ( -2.772 0.315 -1.320) 3.087 5.303 ( 0.727 -14.652 2.708) 14.918 6.312 ( -2.319 2.893 -1.453) 3.982 7.018 ( -4.725 -6.186 -0.172) 7.786 7.992 ( 2.133 2.801 1.877) 3.989 8.672 ( -7.415 -6.483 -4.860) 10.984 ======================= Grid point 480 (177/288) ======================= q-point: ( 0.64 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.806 6.724 1.247) 6.886 2.098 ( 0.934 4.546 -1.040) 4.756 2.144 ( 3.733 0.751 -0.863) 3.904 3.266 ( 6.650 3.096 -1.783) 7.549 4.241 ( 4.607 24.499 4.883) 25.402 4.473 ( 5.992 5.627 -0.817) 8.260 4.746 ( -6.450 -0.297 1.476) 6.623 5.181 ( -0.047 -9.248 -5.116) 10.569 6.313 ( 3.087 -1.876 0.733) 3.686 6.911 ( -2.144 -4.055 0.034) 4.587 8.032 ( -2.450 5.498 0.905) 6.087 8.517 ( -2.190 -6.926 -1.232) 7.368 ======================= Grid point 481 (178/288) ======================= q-point: ( 0.71 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -2.184 6.103 0.762) 6.526 2.123 ( 0.256 1.012 -1.045) 1.477 2.202 ( 2.475 -0.705 -0.883) 2.720 3.352 ( 2.654 -0.813 -3.275) 4.293 4.425 ( -10.640 17.952 6.393) 21.825 4.590 ( 3.461 1.776 -0.434) 3.914 4.646 ( -2.435 -0.771 0.785) 2.672 5.103 ( -3.618 3.843 -9.625) 10.977 6.408 ( 11.757 -7.560 5.802) 15.134 6.864 ( 0.737 -3.301 0.104) 3.384 8.036 ( -4.409 7.220 0.871) 8.505 8.445 ( 1.484 -6.202 -0.813) 6.429 ======================= Grid point 482 (179/288) ======================= q-point: (-0.21 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -5.186 3.821 0.763) 6.486 2.129 ( 0.160 0.298 -0.926) 0.986 2.210 ( 0.775 -1.928 -0.988) 2.301 3.313 ( -3.477 -2.702 -3.151) 5.414 4.301 ( -18.715 9.927 4.210) 21.599 4.612 ( -2.965 -1.310 0.940) 3.375 4.691 ( 5.465 2.316 1.365) 6.091 5.065 ( -3.976 8.252 -8.589) 12.557 6.534 ( 8.258 -8.848 4.931) 13.069 6.871 ( 3.406 -2.574 0.075) 4.270 8.031 ( -5.042 6.991 0.858) 8.663 8.457 ( 7.298 -4.689 -0.788) 8.710 ======================= Grid point 483 (180/288) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -7.212 0.718 1.124) 7.334 2.124 ( -0.919 -0.081 -0.397) 1.004 2.188 ( -1.317 -1.181 -1.511) 2.326 3.196 ( -7.179 0.283 -0.851) 7.235 4.041 ( -23.085 5.986 2.796) 24.011 4.523 ( -5.133 -2.436 0.316) 5.691 4.804 ( 6.692 -2.396 2.360) 7.489 5.093 ( -0.005 9.673 -5.276) 11.019 6.505 ( -2.855 -7.430 0.293) 7.965 6.929 ( 5.580 -1.273 0.035) 5.723 8.001 ( -5.238 3.995 0.818) 6.639 8.602 ( 14.104 -2.958 -1.103) 14.453 ======================= Grid point 491 (181/288) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -0.000 3.506 -0.720) 3.579 1.805 ( -0.000 13.442 -4.860) 14.293 2.081 ( -0.000 0.683 -2.017) 2.130 2.770 ( -0.000 21.600 0.647) 21.610 2.879 ( 0.000 6.026 2.618) 6.570 4.140 ( -0.000 23.839 -9.150) 25.534 4.731 ( 0.000 -1.648 0.395) 1.694 5.454 ( 0.000 -3.458 12.361) 12.836 6.390 ( 0.000 -0.082 1.061) 1.065 7.312 ( 0.000 -12.415 3.533) 12.908 7.702 ( 0.000 0.387 0.194) 0.433 9.135 ( -0.000 -5.388 -12.971) 14.046 ======================= Grid point 492 (182/288) ======================= q-point: ( 0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 2.764 3.763 -0.399) 4.686 1.909 ( 1.350 9.842 -6.973) 12.137 2.080 ( -0.026 1.337 -0.493) 1.425 2.952 ( 1.531 9.396 2.221) 9.775 3.132 ( 15.247 18.054 3.344) 23.866 4.299 ( -0.856 16.459 -6.373) 17.670 4.755 ( 3.791 -1.682 -1.005) 4.267 5.385 ( -3.631 -11.217 9.924) 15.411 6.427 ( -2.597 10.264 1.133) 10.648 7.175 ( -3.611 -9.248 0.477) 9.940 7.772 ( 7.046 -0.254 0.881) 7.105 8.973 ( -6.678 -7.406 -10.188) 14.256 ======================= Grid point 493 (183/288) ======================= q-point: ( 0.57 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 5.126 4.235 0.768) 6.694 2.006 ( 3.293 6.212 -4.904) 8.572 2.102 ( -0.033 2.668 0.672) 2.751 3.084 ( 3.285 7.562 2.387) 8.583 3.652 ( 23.142 17.886 3.960) 29.515 4.409 ( -0.246 12.005 -3.286) 12.449 4.793 ( 3.424 -2.236 -2.650) 4.873 5.208 ( -4.403 -15.217 7.008) 17.322 6.467 ( -7.149 12.855 -1.829) 14.823 7.032 ( -4.156 -6.089 -0.889) 7.426 7.909 ( 8.304 -0.127 1.166) 8.386 8.735 ( -8.740 -7.503 -5.910) 12.946 ======================= Grid point 494 (184/288) ======================= q-point: ( 0.64 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 4.776 4.379 0.624) 6.510 2.094 ( 3.098 1.079 -0.958) 3.418 2.133 ( -0.128 4.190 -0.181) 4.196 3.215 ( 3.934 5.038 1.313) 6.526 4.228 ( 21.045 16.761 4.814) 27.332 4.507 ( 0.435 9.600 -1.812) 9.779 4.810 ( 1.637 -1.203 -2.663) 3.349 5.023 ( -0.994 -14.665 3.903) 15.208 6.405 ( -10.555 7.710 -4.291) 13.757 6.919 ( -3.295 -3.850 -0.419) 5.085 8.038 ( 5.774 1.208 0.552) 5.925 8.525 ( -6.430 -6.026 -1.705) 8.975 ======================= Grid point 495 (185/288) ======================= q-point: ( 0.71 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 2.266 5.000 0.312) 5.499 2.123 ( 0.743 0.060 0.047) 0.747 2.163 ( 0.354 0.203 -0.339) 0.531 3.308 ( 2.549 1.723 -0.121) 3.079 4.556 ( 3.534 3.789 0.756) 5.237 4.625 ( 2.037 7.278 1.198) 7.652 4.773 ( -7.120 2.349 3.449) 8.253 5.032 ( 12.205 -0.533 -4.169) 12.908 6.284 ( -4.613 -0.424 -1.428) 4.848 6.843 ( -1.725 -2.723 0.021) 3.224 8.129 ( 1.878 4.076 0.198) 4.492 8.389 ( -2.977 -5.652 -0.085) 6.388 ======================= Grid point 496 (186/288) ======================= q-point: (-0.21 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -3.697 4.201 0.808) 5.654 2.128 ( -0.108 0.111 -0.522) 0.545 2.161 ( 2.341 -2.451 -0.399) 3.413 3.330 ( -0.550 0.220 -0.720) 0.932 4.595 ( -3.591 0.824 0.738) 3.757 4.635 ( -0.746 -0.787 0.336) 1.135 4.689 ( -5.668 1.550 3.652) 6.919 5.191 ( -0.642 10.368 -5.761) 11.878 6.291 ( 8.692 -5.840 1.418) 10.567 6.813 ( 0.809 -1.688 0.093) 1.874 8.174 ( -3.670 6.109 0.482) 7.143 8.320 ( 2.929 -5.995 -0.286) 6.678 ======================= Grid point 497 (187/288) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -6.573 -0.649 0.933) 6.671 2.131 ( 0.046 0.501 -0.377) 0.629 2.186 ( 0.902 0.619 -0.498) 1.202 3.306 ( -3.559 2.901 0.333) 4.604 4.419 ( -16.296 -1.689 3.611) 16.776 4.586 ( -3.735 -0.930 0.193) 3.854 4.692 ( 3.859 -2.655 0.560) 4.717 5.208 ( -4.623 9.042 -2.822) 10.540 6.387 ( 7.293 -6.009 -2.325) 9.732 6.842 ( 3.582 -0.212 0.039) 3.589 8.113 ( -5.564 -0.712 0.404) 5.624 8.396 ( 8.344 0.419 -0.181) 8.356 ======================= Grid point 506 (188/288) ======================= q-point: ( 0.50 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.000 2.801 -1.175) 3.037 1.937 ( -0.000 4.890 -8.839) 10.101 2.105 ( 0.000 3.418 1.254) 3.640 3.060 ( 0.000 8.078 6.609) 10.437 3.158 ( -0.000 17.139 0.494) 17.146 4.421 ( -0.000 11.332 -4.858) 12.330 4.712 ( 0.000 -0.773 0.486) 0.912 5.310 ( 0.000 -16.504 7.471) 18.116 6.609 ( -0.000 19.041 1.344) 19.089 7.123 ( 0.000 -7.636 -0.584) 7.659 7.708 ( -0.000 0.155 -0.132) 0.203 8.912 ( -0.000 -9.851 -8.785) 13.199 ======================= Grid point 507 (189/288) ======================= q-point: ( 0.57 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 4.140 2.639 -0.362) 4.923 1.975 ( 2.806 3.032 -4.737) 6.285 2.144 ( -0.242 3.791 1.070) 3.947 3.147 ( -0.090 7.394 5.335) 9.118 3.463 ( 16.671 13.384 2.160) 21.487 4.504 ( -0.086 8.928 -2.283) 9.216 4.719 ( 1.555 -1.569 -0.614) 2.293 5.137 ( -2.475 -17.322 5.122) 18.232 6.751 ( -6.695 19.573 -1.429) 20.736 7.032 ( -2.718 -4.960 -1.645) 5.890 7.772 ( 6.876 -0.130 0.099) 6.878 8.747 ( -4.549 -9.642 -5.595) 12.040 ======================= Grid point 508 (190/288) ======================= q-point: ( 0.64 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 6.252 2.102 -0.139) 6.597 2.048 ( 3.461 1.660 -0.514) 3.873 2.175 ( -0.367 3.131 0.538) 3.198 3.232 ( 1.122 4.750 4.103) 6.376 3.960 ( 26.218 10.855 2.667) 28.501 4.575 ( -0.026 6.505 -1.442) 6.663 4.713 ( 1.205 -4.480 -1.938) 5.027 4.966 ( -1.747 -11.554 4.906) 12.674 6.724 ( -14.525 13.560 -5.443) 20.603 6.940 ( -3.105 -2.686 -0.820) 4.187 7.908 ( 8.887 -0.314 -0.088) 8.893 8.568 ( -5.568 -6.133 -1.669) 8.450 ======================= Grid point 509 (191/288) ======================= q-point: ( 0.71 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 6.398 1.304 -0.514) 6.550 2.103 ( 1.713 0.396 0.786) 1.926 2.189 ( -1.223 1.374 0.399) 1.882 3.295 ( 1.390 1.375 2.324) 3.037 4.503 ( 21.212 9.158 0.216) 23.105 4.616 ( 4.304 -1.392 -3.968) 6.017 4.664 ( 0.715 -5.629 -1.351) 5.833 4.917 ( 1.588 -1.293 8.287) 8.536 6.523 ( -17.388 6.814 -5.211) 19.389 6.867 ( -3.224 -1.208 -0.143) 3.446 8.051 ( 8.141 0.129 -0.472) 8.156 8.433 ( -5.644 -2.517 0.311) 6.188 ======================= Grid point 510 (192/288) ======================= q-point: (-0.21 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 5.440 -0.805 -0.827) 5.561 2.123 ( 0.190 -0.191 0.615) 0.671 2.157 ( -3.022 0.728 0.311) 3.125 3.324 ( 1.312 -0.238 0.506) 1.427 4.600 ( 1.130 -1.457 -0.358) 1.878 4.638 ( -0.515 -0.632 -0.260) 0.855 4.728 ( 1.376 -5.401 -4.086) 6.910 5.135 ( 14.872 4.891 5.593) 16.624 6.304 ( -11.309 3.658 -1.146) 11.941 6.814 ( -1.912 -0.117 -0.075) 1.917 8.179 ( 6.840 -0.082 -0.394) 6.852 8.317 ( -6.438 -0.388 0.240) 6.454 ======================= Grid point 511 (193/288) ======================= q-point: (-0.14 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( -3.026 -5.241 -0.000) 6.052 2.132 ( 0.438 0.758 -0.000) 0.876 2.175 ( 1.797 3.113 -0.000) 3.594 3.354 ( 1.331 2.305 -0.000) 2.661 4.552 ( -6.039 -10.459 -0.000) 12.077 4.626 ( -0.037 -0.064 -0.000) 0.074 4.634 ( -1.025 -1.775 0.000) 2.049 5.324 ( 1.193 2.067 -0.000) 2.387 6.253 ( 1.442 2.497 0.000) 2.883 6.810 ( 0.865 1.499 -0.000) 1.731 8.161 ( -3.990 -6.910 -0.000) 7.979 8.327 ( 3.651 6.323 -0.000) 7.301 ======================= Grid point 522 (194/288) ======================= q-point: ( 0.57 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -0.000 1.952 -0.262) 1.970 1.969 ( -0.000 3.102 -1.161) 3.313 2.182 ( 0.000 2.795 1.139) 3.018 3.240 ( 0.000 4.707 8.500) 9.716 3.424 ( -0.000 9.692 0.396) 9.700 4.582 ( -0.000 8.103 -0.553) 8.122 4.698 ( -0.000 -0.766 -0.804) 1.110 4.992 ( 0.000 -17.707 2.296) 17.855 6.978 ( -0.000 8.409 -0.447) 8.421 7.032 ( -0.000 6.738 -5.184) 8.502 7.708 ( -0.000 0.104 -0.237) 0.259 8.675 ( -0.000 -8.889 -3.309) 9.485 ======================= Grid point 523 (195/288) ======================= q-point: ( 0.64 0.57 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 4.197 1.138 -0.018) 4.349 2.022 ( 2.116 2.849 1.955) 4.051 2.206 ( -0.168 1.771 1.285) 2.194 3.285 ( -0.948 2.012 7.401) 7.728 3.658 ( 17.466 4.747 2.006) 18.210 4.640 ( -1.661 4.738 -0.490) 5.045 4.682 ( -0.498 -1.061 -1.704) 2.068 4.860 ( 2.013 -10.730 1.738) 11.054 6.960 ( -2.162 -1.324 -1.620) 3.008 7.042 ( -9.668 10.163 -6.910) 15.637 7.769 ( 6.504 -0.079 -0.428) 6.519 8.583 ( -2.588 -3.454 0.013) 4.316 ======================= Grid point 524 (196/288) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 6.146 -0.229 -0.419) 6.165 2.086 ( 1.710 1.531 2.161) 3.153 2.217 ( -0.627 0.564 1.337) 1.581 3.298 ( -0.259 -1.654 5.275) 5.534 4.053 ( 25.652 -3.339 -0.603) 25.875 4.621 ( -0.622 1.262 -0.368) 1.454 4.664 ( -0.991 0.476 -1.086) 1.545 4.873 ( 3.542 -1.166 3.831) 5.346 6.832 ( -13.277 1.435 -7.582) 15.357 6.931 ( -5.257 1.330 -0.071) 5.423 7.898 ( 8.845 -0.396 -0.843) 8.894 8.519 ( -4.940 1.963 1.415) 5.501 ======================= Grid point 525 (197/288) ======================= q-point: (-0.21 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 6.108 -2.483 -0.938) 6.660 2.119 ( 0.603 0.466 1.109) 1.346 2.201 ( -1.617 -0.387 0.931) 1.905 3.287 ( 1.243 -3.654 2.153) 4.420 4.346 ( 18.302 -12.474 -4.983) 22.702 4.622 ( 0.247 -3.392 -1.228) 3.616 4.704 ( -0.120 7.470 -1.320) 7.586 4.980 ( 8.784 1.607 8.622) 12.413 6.574 ( -14.495 0.696 -3.114) 14.842 6.871 ( -3.855 1.663 0.023) 4.198 8.039 ( 8.426 -0.913 -0.864) 8.519 8.449 ( -7.254 4.066 0.855) 8.360 ======================= Grid point 537 (198/288) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.000 0.566 0.606) 0.829 2.047 ( 0.000 3.374 4.105) 5.314 2.225 ( 0.000 0.731 2.147) 2.268 3.331 ( 0.000 -2.607 11.099) 11.401 3.530 ( 0.000 0.535 1.028) 1.159 4.669 ( -0.000 -0.846 -2.608) 2.741 4.671 ( -0.000 -5.806 -2.318) 6.252 4.786 ( 0.000 4.390 1.719) 4.714 6.968 ( -0.000 0.121 -1.685) 1.690 7.148 ( -0.000 -0.610 -9.662) 9.681 7.710 ( -0.000 0.168 -0.168) 0.238 8.609 ( 0.000 4.002 2.223) 4.579 ======================= Grid point 538 (199/288) ======================= q-point: (-0.29 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 3.407 -0.670 0.396) 3.495 2.095 ( 0.523 2.214 3.318) 4.023 2.232 ( -0.443 -0.385 2.708) 2.771 3.299 ( -1.528 -6.517 8.913) 11.147 3.655 ( 15.281 -6.233 1.319) 16.556 4.609 ( 0.217 -2.736 -1.315) 3.043 4.669 ( 1.522 1.182 -1.929) 2.726 4.865 ( 0.508 6.363 1.413) 6.538 6.925 ( -4.303 -3.808 -6.280) 8.512 7.026 ( -4.777 -3.391 -3.994) 7.090 7.763 ( 5.879 -0.076 -0.506) 5.901 8.657 ( -3.878 9.510 2.435) 10.555 ======================= Grid point 539 (200/288) ======================= q-point: (-0.21 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 4.828 -2.841 -0.413) 5.617 2.121 ( 0.192 0.386 1.421) 1.485 2.216 ( -1.099 -1.756 2.165) 2.996 3.230 ( -0.065 -8.278 4.927) 9.634 3.871 ( 20.149 -12.694 -1.597) 23.868 4.576 ( -0.110 -4.269 -1.150) 4.423 4.775 ( 3.022 9.665 -1.544) 10.244 4.925 ( 1.859 2.558 5.274) 6.149 6.705 ( -7.706 -9.666 -5.807) 13.658 6.963 ( -3.911 2.774 -0.118) 4.796 7.885 ( 8.408 -0.403 -0.838) 8.459 8.658 ( -8.471 10.429 1.473) 13.516 ======================= Grid point 552 (201/288) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 -1.386 0.630) 1.523 2.119 ( 0.000 0.989 2.208) 2.419 2.240 ( 0.000 -1.317 3.692) 3.920 3.260 ( 0.000 -11.686 10.608) 15.783 3.451 ( 0.000 -9.551 1.469) 9.663 4.594 ( 0.000 1.026 0.286) 1.066 4.647 ( -0.000 0.729 -2.779) 2.873 4.947 ( -0.000 8.385 0.215) 8.387 6.844 ( -0.000 -15.201 -9.443) 17.896 7.037 ( -0.000 1.595 -0.941) 1.851 7.711 ( -0.000 0.046 -0.129) 0.137 8.821 ( -0.000 14.057 1.818) 14.175 ======================= Grid point 553 (202/288) ======================= q-point: (-0.21 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 2.284 -3.130 -0.069) 3.876 2.120 ( -0.041 -1.715 0.637) 1.830 2.221 ( -1.077 -3.029 2.515) 4.081 3.160 ( -0.740 -11.918 7.676) 14.195 3.455 ( 12.659 -14.481 0.896) 19.255 4.561 ( -2.917 -1.999 -0.520) 3.575 4.752 ( 7.761 6.536 0.079) 10.147 5.001 ( -2.569 6.044 1.320) 6.698 6.630 ( -2.139 -16.372 -6.752) 17.838 7.046 ( -2.148 4.071 -0.612) 4.644 7.759 ( 5.464 -0.144 -0.345) 5.477 8.914 ( -6.106 14.389 0.648) 15.644 ======================= Grid point 567 (203/288) ======================= q-point: (-0.21 -0.21 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.000 -4.173 -0.605) 4.217 2.085 ( 0.000 -5.938 -0.204) 5.941 2.195 ( 0.000 -5.363 0.088) 5.363 3.078 ( 0.000 -11.097 8.320) 13.870 3.193 ( 0.000 -17.268 1.817) 17.363 4.631 ( 0.000 -2.093 0.880) 2.270 4.669 ( -0.000 2.857 -1.092) 3.059 5.091 ( 0.000 5.828 2.089) 6.191 6.470 ( -0.000 -13.759 -4.865) 14.594 7.107 ( -0.000 5.127 -1.108) 5.245 7.709 ( -0.000 -0.280 -0.100) 0.297 9.113 ( -0.000 14.856 -0.915) 14.884 ======================= Grid point 644 (204/288) ======================= q-point: ( 0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.000 -0.000 23.046) 23.046 0.708 ( 0.000 -0.000 23.046) 23.046 1.164 ( 0.000 -0.000 37.897) 37.897 2.017 ( -0.000 0.000 -7.447) 7.447 2.017 ( -0.000 0.000 -7.447) 7.447 3.445 ( -0.000 0.000 -12.512) 12.512 4.918 ( -0.000 0.000 -0.502) 0.502 4.918 ( -0.000 0.000 -0.502) 0.502 7.243 ( -0.000 0.000 -1.359) 1.359 7.679 ( 0.000 -0.000 0.825) 0.825 7.679 ( 0.000 -0.000 0.825) 0.825 9.062 ( 0.000 -0.000 1.281) 1.281 ======================= Grid point 645 (205/288) ======================= q-point: ( 0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 6.709 3.874 17.804) 19.416 0.889 ( 4.461 2.575 22.493) 23.075 1.510 ( 15.944 9.205 25.048) 31.087 2.103 ( 6.858 3.959 -6.213) 10.065 2.147 ( 16.298 9.410 -10.386) 21.495 3.207 ( -11.870 -6.853 -8.005) 15.872 4.915 ( -0.809 -0.467 -0.582) 1.101 5.066 ( 11.974 6.913 -0.407) 13.833 7.097 ( -9.047 -5.223 -2.167) 10.669 7.695 ( 0.572 0.330 0.831) 1.061 7.842 ( 6.339 3.660 8.684) 11.358 9.088 ( 0.870 0.502 -14.221) 14.257 ======================= Grid point 646 (206/288) ======================= q-point: ( 0.36 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 10.056 5.806 10.337) 15.547 1.067 ( 6.234 3.599 14.738) 16.402 1.840 ( 8.586 4.957 7.354) 12.344 2.286 ( 10.985 6.342 -4.519) 13.466 2.646 ( 26.799 15.472 -5.345) 31.403 3.016 ( -0.925 -0.534 -6.289) 6.379 4.879 ( -2.079 -1.200 -0.887) 2.559 5.369 ( 13.623 7.865 2.396) 15.912 6.860 ( -11.075 -6.394 -2.943) 13.123 7.708 ( 0.324 0.187 0.603) 0.709 7.880 ( -7.694 -4.442 19.621) 21.538 9.012 ( -0.746 -0.431 -24.531) 24.546 ======================= Grid point 647 (207/288) ======================= q-point: ( 0.43 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 9.974 5.758 5.074) 12.585 1.306 ( 9.030 5.213 4.905) 11.522 1.995 ( 4.978 2.874 0.259) 5.754 2.561 ( 14.358 8.289 -2.906) 16.832 2.946 ( 5.950 3.435 -3.071) 7.525 3.380 ( 28.017 16.175 -4.195) 32.622 4.821 ( -2.767 -1.598 -0.871) 3.312 5.648 ( 9.242 5.336 4.165) 11.456 6.606 ( -9.922 -5.729 -2.410) 11.708 7.645 ( -17.007 -9.819 15.151) 24.803 7.712 ( -0.065 -0.037 0.282) 0.292 8.926 ( -0.774 -0.447 -18.425) 18.447 ======================= Grid point 648 (208/288) ======================= q-point: ( 0.50 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 6.875 3.969 1.679) 8.114 1.549 ( 13.337 7.700 -0.890) 15.426 2.089 ( 3.782 2.184 -1.062) 4.495 2.892 ( 15.322 8.846 -1.943) 17.799 3.112 ( 9.499 5.485 -2.073) 11.163 3.948 ( 22.318 12.886 -3.095) 25.956 4.754 ( -2.937 -1.696 -0.121) 3.394 5.755 ( -2.058 -1.188 2.618) 3.536 6.446 ( -3.032 -1.750 0.534) 3.541 7.291 ( -15.749 -9.093 6.204) 19.215 7.708 ( -0.264 -0.152 0.068) 0.312 8.847 ( -2.520 -1.455 -8.729) 9.201 ======================= Grid point 649 (209/288) ======================= q-point: ( 0.57 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 4.743 2.739 0.052) 5.477 1.839 ( 12.320 7.113 -3.787) 14.721 2.163 ( 3.209 1.853 -1.023) 3.844 3.212 ( 13.253 7.652 -1.548) 15.382 3.340 ( 11.263 6.502 -4.486) 13.757 4.337 ( 13.062 7.542 -1.312) 15.140 4.691 ( -2.855 -1.648 1.289) 3.540 5.544 ( -16.121 -9.307 -2.500) 18.782 6.492 ( 5.529 3.192 7.706) 10.008 7.047 ( -6.566 -3.791 1.307) 7.694 7.703 ( -0.159 -0.092 0.041) 0.188 8.754 ( -3.907 -2.256 -3.394) 5.645 ======================= Grid point 650 (210/288) ======================= q-point: ( 0.64 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 2.678 1.546 -0.637) 3.157 2.045 ( 6.831 3.944 -4.670) 9.166 2.229 ( 3.074 1.775 -1.649) 3.914 3.455 ( 8.338 4.814 -1.450) 9.736 3.556 ( 9.028 5.212 -10.252) 14.621 4.557 ( 7.429 4.289 0.787) 8.614 4.637 ( -2.443 -1.410 2.781) 3.962 5.099 ( -19.815 -11.440 -4.391) 23.298 6.690 ( 7.036 4.062 14.458) 16.584 6.984 ( 0.007 0.004 -0.237) 0.237 7.702 ( 0.068 0.039 0.124) 0.147 8.664 ( -2.688 -1.552 -2.448) 3.953 ======================= Grid point 651 (211/288) ======================= q-point: (-0.29 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.609 0.351 -0.754) 1.030 2.125 ( 2.087 1.205 -3.288) 4.077 2.278 ( 1.535 0.886 -2.892) 3.392 3.556 ( 0.657 0.379 -1.449) 1.636 3.611 ( -1.902 -1.098 -15.745) 15.898 4.606 ( -0.986 -0.569 3.438) 3.622 4.629 ( -4.383 -2.531 1.740) 5.352 4.823 ( 1.906 1.101 -2.225) 3.130 6.823 ( -0.122 -0.070 14.035) 14.035 7.009 ( 0.657 0.379 2.236) 2.361 7.706 ( 0.179 0.103 0.207) 0.292 8.658 ( 3.804 2.196 -2.392) 5.002 ======================= Grid point 652 (212/288) ======================= q-point: (-0.21 0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -1.460 -0.843 -0.389) 1.730 2.137 ( -0.232 -0.134 -1.486) 1.510 2.270 ( -1.590 -0.918 -2.143) 2.822 3.379 ( -12.296 -7.099 -13.209) 19.392 3.465 ( -8.244 -4.760 -1.428) 9.626 4.595 ( 2.164 1.249 0.086) 2.500 4.619 ( 1.210 0.698 2.668) 3.012 4.958 ( 7.222 4.170 -2.159) 8.614 6.741 ( -11.367 -6.563 11.266) 17.298 7.028 ( 1.950 1.126 0.857) 2.409 7.710 ( 0.064 0.037 0.208) 0.221 8.830 ( 11.230 6.484 -0.075) 12.968 ======================= Grid point 659 (213/288) ======================= q-point: ( 0.29 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.000 9.247 17.628) 19.906 1.043 ( 0.000 13.209 19.278) 23.369 1.555 ( 0.000 12.344 27.455) 30.102 1.942 ( -0.000 1.887 -9.598) 9.782 2.250 ( -0.000 24.835 -8.395) 26.216 3.192 ( -0.000 -12.147 -10.468) 16.035 4.883 ( -0.000 -2.296 -0.583) 2.369 5.029 ( -0.000 8.040 1.241) 8.135 7.088 ( 0.000 -11.076 -1.941) 11.245 7.678 ( 0.000 -0.136 0.833) 0.844 7.842 ( 0.000 4.873 8.201) 9.540 9.115 ( -0.000 6.367 -13.008) 14.483 ======================= Grid point 660 (214/288) ======================= q-point: ( 0.36 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 3.297 11.563 11.892) 16.911 1.190 ( -2.964 12.087 16.543) 20.702 1.798 ( 5.479 6.985 10.542) 13.783 2.097 ( 14.732 6.754 -4.442) 16.804 2.567 ( 8.429 30.740 -6.851) 32.603 3.008 ( -3.251 -5.915 -8.251) 10.660 4.887 ( 0.996 -1.582 -1.324) 2.291 5.203 ( 10.761 6.477 3.096) 12.936 6.911 ( -6.065 -11.447 -2.434) 13.181 7.686 ( 0.431 -1.655 1.115) 2.041 7.922 ( 2.742 -5.530 15.899) 17.055 9.056 ( -7.131 7.032 -21.482) 23.702 ======================= Grid point 661 (215/288) ======================= q-point: ( 0.43 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 3.243 10.038 7.815) 13.128 1.325 ( 1.245 11.911 8.088) 14.451 1.945 ( 4.449 3.719 1.082) 5.898 2.434 ( 13.873 13.242 -3.048) 19.419 2.870 ( 4.807 3.387 -4.987) 7.711 3.166 ( 17.552 23.925 -3.892) 29.927 4.860 ( -2.409 -0.124 -1.479) 2.830 5.479 ( 13.975 1.938 3.879) 14.632 6.672 ( -7.932 -10.498 -2.360) 13.368 7.634 ( -2.513 -9.760 4.210) 10.922 7.894 ( -5.381 -3.949 13.611) 15.159 8.929 ( -5.744 5.471 -20.889) 22.345 ======================= Grid point 662 (216/288) ======================= q-point: ( 0.50 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 4.874 8.573 5.510) 11.297 1.506 ( 4.816 12.002 0.499) 12.942 2.042 ( 3.772 2.411 -0.993) 4.585 2.786 ( 11.751 15.780 -3.535) 19.990 3.012 ( 8.785 6.512 -1.185) 11.000 3.714 ( 20.962 18.866 -2.747) 28.336 4.804 ( -3.678 0.299 -0.947) 3.810 5.679 ( 8.049 -3.936 2.760) 9.375 6.463 ( -4.649 -7.169 -1.334) 8.648 7.411 ( -9.949 -15.321 5.683) 19.131 7.819 ( -6.764 5.235 3.495) 9.239 8.839 ( -2.440 -0.007 -10.915) 11.185 ======================= Grid point 663 (217/288) ======================= q-point: ( 0.57 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 3.111 6.498 2.132) 7.513 1.740 ( 8.681 11.406 -1.654) 14.429 2.118 ( 3.525 1.532 -1.213) 4.030 3.086 ( 11.076 8.918 -3.664) 14.684 3.275 ( 8.487 16.464 -1.112) 18.556 4.170 ( 16.164 10.759 -1.094) 19.449 4.741 ( -3.788 0.051 0.273) 3.798 5.637 ( -6.074 -10.245 -1.438) 11.997 6.412 ( 4.916 -2.790 2.639) 6.238 7.129 ( -8.851 -8.718 2.435) 12.659 7.783 ( -5.220 6.102 0.803) 8.070 8.761 ( -2.079 -3.921 -3.373) 5.574 ======================= Grid point 664 (218/288) ======================= q-point: ( 0.64 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 1.415 5.197 0.328) 5.396 1.964 ( 6.977 7.456 -3.298) 10.730 2.184 ( 3.382 1.100 -1.275) 3.778 3.317 ( 10.432 3.981 -5.188) 12.312 3.556 ( 3.744 19.218 -2.836) 19.784 4.460 ( 9.759 5.521 0.270) 11.216 4.681 ( -3.340 -0.761 1.832) 3.884 5.301 ( -17.339 -11.354 -5.307) 21.395 6.575 ( 12.538 -0.960 9.839) 15.967 6.987 ( -2.355 -3.071 0.542) 3.908 7.764 ( -3.974 5.535 0.490) 6.832 8.671 ( -2.379 -4.760 -1.218) 5.458 ======================= Grid point 665 (219/288) ======================= q-point: ( 0.71 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -0.341 3.841 -0.356) 3.872 2.085 ( 3.150 2.876 -3.723) 5.662 2.242 ( 2.610 0.783 -2.135) 3.462 3.457 ( 5.844 -0.761 -8.924) 10.694 3.716 ( -4.469 15.309 -3.687) 16.368 4.617 ( 2.068 -0.202 1.627) 2.639 4.639 ( 0.781 0.452 2.268) 2.441 4.919 ( -13.364 -2.740 -4.272) 14.295 6.791 ( 8.127 -3.381 13.864) 16.423 6.974 ( 2.716 -1.420 0.611) 3.125 7.758 ( -3.160 5.085 0.561) 6.013 8.606 ( 0.915 -2.674 -2.145) 3.548 ======================= Grid point 666 (220/288) ======================= q-point: (-0.21 0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -2.141 2.299 -0.434) 3.171 2.124 ( 1.132 0.717 -2.535) 2.868 2.260 ( 0.378 -0.805 -2.769) 2.908 3.400 ( -4.478 -6.765 -11.532) 14.100 3.669 ( -13.163 8.667 -1.392) 15.822 4.597 ( -2.295 -0.937 1.134) 2.726 4.650 ( 0.390 3.310 2.053) 3.914 4.883 ( 4.376 4.312 -2.376) 6.587 6.836 ( -2.329 -7.019 11.349) 13.546 7.001 ( 1.577 -2.233 1.592) 3.163 7.759 ( -2.782 4.842 0.489) 5.606 8.678 ( 9.822 0.951 -1.770) 10.025 ======================= Grid point 674 (221/288) ======================= q-point: ( 0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 13.789 9.173) 16.562 1.383 ( 0.000 9.568 10.454) 14.171 1.890 ( 0.000 8.347 12.870) 15.340 2.015 ( -0.000 12.534 -5.872) 13.842 2.790 ( -0.000 26.161 -11.079) 28.410 2.962 ( -0.000 3.508 -5.749) 6.735 4.827 ( 0.000 -2.953 -0.341) 2.972 5.223 ( 0.000 9.268 5.799) 10.933 6.828 ( 0.000 -13.985 -1.995) 14.127 7.685 ( 0.000 0.255 0.839) 0.877 7.856 ( 0.000 -11.513 15.712) 19.478 9.130 ( -0.000 7.182 -21.792) 22.945 ======================= Grid point 675 (222/288) ======================= q-point: ( 0.43 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.619 13.226 4.622) 14.024 1.469 ( -1.177 8.052 5.751) 9.965 1.960 ( -0.624 6.072 3.288) 6.933 2.316 ( 14.875 16.420 -0.978) 22.178 2.822 ( 1.316 0.353 -6.982) 7.113 3.242 ( 5.670 33.466 -5.317) 34.357 4.839 ( 3.189 -2.323 -1.346) 4.169 5.365 ( 4.514 6.251 7.700) 10.897 6.649 ( -3.973 -13.387 -1.534) 14.048 7.622 ( -4.925 -8.003 4.188) 10.288 7.853 ( 5.905 -8.497 11.280) 15.307 9.053 ( -7.597 6.102 -20.543) 22.737 ======================= Grid point 676 (223/288) ======================= q-point: ( 0.50 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 1.506 9.588 3.901) 10.460 1.579 ( 1.607 11.689 0.562) 11.813 2.019 ( 1.518 3.334 0.050) 3.664 2.728 ( 12.644 16.161 -4.440) 20.995 2.931 ( 9.867 8.761 1.853) 13.325 3.655 ( 9.866 26.432 -4.808) 28.620 4.846 ( -0.397 -0.419 -1.857) 1.944 5.515 ( 6.640 -1.549 6.178) 9.201 6.454 ( -4.396 -9.746 -0.856) 10.725 7.421 ( -7.131 -13.626 3.969) 15.884 7.911 ( 2.198 -1.164 6.185) 6.666 8.897 ( -8.039 2.161 -14.189) 16.451 ======================= Grid point 677 (224/288) ======================= q-point: ( 0.57 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 2.228 7.795 4.020) 9.049 1.747 ( 4.477 12.927 -1.875) 13.808 2.076 ( 2.515 1.687 -0.870) 3.151 2.981 ( 8.837 7.202 -3.635) 11.966 3.324 ( 12.027 23.882 2.318) 26.839 4.037 ( 12.294 15.611 -2.382) 20.013 4.810 ( -3.229 0.684 -0.834) 3.405 5.554 ( 2.089 -10.000 1.597) 10.340 6.336 ( -0.342 -4.707 0.088) 4.721 7.178 ( -7.525 -10.648 1.537) 13.129 7.932 ( -2.997 4.158 2.432) 5.674 8.753 ( -4.281 -3.476 -5.722) 7.947 ======================= Grid point 678 (225/288) ======================= q-point: ( 0.64 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.676 7.167 1.775) 7.415 1.943 ( 4.905 10.009 -1.255) 11.217 2.132 ( 3.193 0.697 -1.097) 3.447 3.179 ( 8.939 4.811 -3.701) 10.805 3.726 ( 4.591 27.457 0.427) 27.841 4.345 ( 11.044 7.620 0.043) 13.418 4.750 ( -4.451 0.299 0.872) 4.546 5.386 ( -7.877 -12.576 -4.299) 15.449 6.375 ( 9.021 -3.178 3.731) 10.266 7.003 ( -4.103 -5.601 0.738) 6.982 7.917 ( -5.277 6.610 0.860) 8.502 8.645 ( -1.845 -6.417 -0.921) 6.740 ======================= Grid point 679 (226/288) ======================= q-point: ( 0.71 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -1.074 6.331 0.684) 6.458 2.067 ( 1.947 4.597 -2.101) 5.417 2.193 ( 3.393 0.778 -1.184) 3.677 3.331 ( 6.351 1.614 -5.609) 8.625 3.992 ( -4.149 25.265 -0.041) 25.604 4.550 ( 6.627 3.155 0.759) 7.379 4.674 ( -4.010 -1.359 1.966) 4.668 5.088 ( -11.821 -5.455 -7.241) 14.897 6.572 ( 15.125 -5.909 9.234) 18.680 6.929 ( -0.072 -3.221 0.231) 3.230 7.898 ( -5.206 7.251 0.847) 8.966 8.559 ( -0.589 -5.909 -0.735) 5.983 ======================= Grid point 680 (227/288) ======================= q-point: (-0.21 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -3.019 4.928 0.297) 5.787 2.108 ( 0.857 1.586 -2.256) 2.888 2.232 ( 1.289 -0.500 -1.732) 2.216 3.359 ( -0.360 -2.909 -7.081) 7.664 4.043 ( -15.312 17.567 1.542) 23.354 4.617 ( 0.779 0.739 0.443) 1.161 4.653 ( 1.399 -0.014 1.146) 1.808 4.919 ( -4.456 4.129 -5.617) 8.274 6.745 ( 8.392 -9.201 10.040) 15.997 6.930 ( 3.167 -3.210 0.237) 4.516 7.889 ( -4.758 7.381 0.958) 8.834 8.534 ( 4.717 -3.476 -1.687) 6.098 ======================= Grid point 689 (228/288) ======================= q-point: ( 0.43 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -0.000 13.894 0.872) 13.921 1.534 ( -0.000 3.955 0.388) 3.974 2.045 ( 0.000 2.881 0.962) 3.038 2.349 ( -0.000 21.313 1.136) 21.344 2.798 ( -0.000 2.098 -3.275) 3.889 3.523 ( -0.000 34.900 -7.453) 35.687 4.772 ( 0.000 -2.514 0.207) 2.522 5.443 ( 0.000 7.164 10.261) 12.514 6.546 ( 0.000 -12.926 -0.580) 12.939 7.639 ( 0.000 -18.297 11.181) 21.443 7.696 ( 0.000 0.346 0.624) 0.714 9.105 ( -0.000 3.381 -18.826) 19.128 ======================= Grid point 690 (229/288) ======================= q-point: ( 0.50 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 1.183 5.032 -0.267) 5.176 1.663 ( 1.501 12.263 -2.829) 12.674 2.048 ( -0.807 2.135 -0.931) 2.465 2.676 ( 10.890 19.189 -0.655) 22.073 2.880 ( 6.137 8.128 3.238) 10.687 3.827 ( 1.519 28.970 -7.184) 29.886 4.788 ( 3.579 -2.081 -0.767) 4.210 5.514 ( -1.550 1.530 10.271) 10.500 6.420 ( -2.207 -7.833 0.261) 8.142 7.418 ( -6.525 -14.384 4.226) 16.350 7.797 ( 8.403 -2.419 3.225) 9.320 9.004 ( -6.886 0.396 -14.900) 16.419 ======================= Grid point 691 (230/288) ======================= q-point: ( 0.57 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 3.906 5.717 1.603) 7.107 1.803 ( 2.858 11.826 -3.966) 12.797 2.066 ( 0.690 1.849 -0.319) 1.999 2.928 ( 5.509 9.078 -0.564) 10.634 3.282 ( 19.366 20.683 4.357) 28.668 4.082 ( 2.717 20.283 -4.845) 21.030 4.818 ( 1.941 -1.245 -1.741) 2.889 5.474 ( -2.630 -8.185 6.823) 10.976 6.337 ( -2.942 -0.566 -0.014) 2.996 7.192 ( -6.184 -10.819 0.642) 12.478 7.922 ( 6.565 -0.709 2.693) 7.131 8.815 ( -8.526 -2.839 -8.850) 12.613 ======================= Grid point 692 (231/288) ======================= q-point: ( 0.64 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 3.081 5.985 1.500) 6.896 1.965 ( 4.287 10.128 -1.690) 11.127 2.096 ( 1.286 0.943 -0.334) 1.629 3.099 ( 6.019 6.793 -0.562) 9.093 3.835 ( 16.462 24.791 3.215) 29.932 4.288 ( 4.750 11.969 -2.065) 13.042 4.813 ( -1.305 0.031 -0.734) 1.498 5.324 ( -3.273 -14.190 1.543) 14.644 6.301 ( -1.510 1.350 -0.815) 2.184 7.017 ( -4.467 -6.617 -0.097) 7.984 8.008 ( 1.718 2.373 1.172) 3.156 8.634 ( -5.366 -5.636 -2.837) 8.283 ======================= Grid point 693 (232/288) ======================= q-point: ( 0.71 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.725 6.406 0.805) 6.497 2.090 ( 0.633 4.933 -0.577) 5.007 2.137 ( 3.675 0.892 -0.548) 3.821 3.247 ( 5.193 4.122 -1.888) 6.894 4.272 ( 3.737 26.227 1.301) 26.524 4.472 ( 7.310 5.316 0.784) 9.072 4.763 ( -5.653 0.280 1.969) 5.993 5.126 ( -4.005 -9.880 -5.937) 12.202 6.331 ( 6.812 -3.682 2.719) 8.207 6.912 ( -1.994 -4.190 0.212) 4.645 8.039 ( -2.418 5.355 0.502) 5.897 8.510 ( -1.789 -6.756 -0.256) 6.994 ======================= Grid point 694 (233/288) ======================= q-point: ( 0.79 0.43 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -2.218 6.123 0.743) 6.554 2.112 ( -0.100 1.474 -1.082) 1.831 2.194 ( 2.149 -0.498 -0.687) 2.311 3.321 ( 1.372 0.600 -3.013) 3.365 4.481 ( -9.097 21.461 4.525) 23.745 4.590 ( 1.435 0.604 0.979) 1.839 4.655 ( -2.725 -1.354 0.882) 3.168 5.007 ( -3.263 2.897 -9.781) 10.710 6.467 ( 13.860 -9.738 6.050) 17.987 6.865 ( 0.672 -3.317 0.138) 3.387 8.045 ( -4.214 7.128 0.756) 8.315 8.438 ( 1.083 -6.030 -0.634) 6.160 ======================= Grid point 704 (234/288) ======================= q-point: ( 0.50 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -0.000 3.410 -1.974) 3.940 1.747 ( -0.000 10.809 -7.009) 12.883 2.063 ( -0.000 1.353 -1.401) 1.948 2.784 ( -0.000 21.126 2.033) 21.223 2.918 ( 0.000 8.208 5.070) 9.648 4.059 ( -0.000 24.400 -7.496) 25.526 4.736 ( 0.000 -1.554 0.561) 1.652 5.567 ( 0.000 -4.277 10.720) 11.542 6.401 ( 0.000 0.769 1.389) 1.588 7.346 ( 0.000 -15.503 3.334) 15.858 7.704 ( 0.000 0.178 0.204) 0.270 9.005 ( -0.000 -2.886 -13.244) 13.555 ======================= Grid point 705 (235/288) ======================= q-point: ( 0.57 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 3.704 3.858 -0.807) 5.409 1.838 ( 2.647 8.860 -7.227) 11.737 2.082 ( 0.011 2.670 0.687) 2.757 2.979 ( 0.924 11.734 3.071) 12.164 3.171 ( 15.210 16.500 4.471) 22.881 4.242 ( -0.083 17.913 -5.276) 18.674 4.748 ( 2.652 -1.673 -0.409) 3.162 5.476 ( -4.128 -12.668 8.561) 15.837 6.436 ( -3.427 9.837 0.627) 10.436 7.177 ( -4.096 -10.759 -0.212) 11.514 7.781 ( 7.784 -0.845 0.812) 7.872 8.875 ( -5.653 -5.231 -9.495) 12.226 ======================= Grid point 706 (236/288) ======================= q-point: ( 0.64 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 5.617 3.879 0.148) 6.828 1.965 ( 4.828 7.142 -3.457) 9.289 2.110 ( -0.387 2.960 0.972) 3.140 3.111 ( 2.104 8.556 3.047) 9.323 3.690 ( 23.575 17.551 3.567) 29.607 4.378 ( 0.212 13.079 -2.979) 13.416 4.773 ( 2.782 -2.454 -1.615) 4.046 5.275 ( -5.255 -15.706 6.581) 17.821 6.444 ( -8.144 11.260 -2.866) 14.189 7.022 ( -3.877 -6.391 -1.094) 7.555 7.919 ( 8.484 -0.743 0.682) 8.544 8.683 ( -7.161 -5.805 -4.525) 10.268 ======================= Grid point 707 (237/288) ======================= q-point: ( 0.71 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 4.933 3.958 -0.118) 6.326 2.088 ( 3.850 2.314 -0.218) 4.498 2.133 ( -0.669 3.808 0.247) 3.874 3.230 ( 2.549 5.770 1.655) 6.521 4.265 ( 21.473 16.401 2.558) 27.141 4.487 ( 0.615 9.761 -2.065) 9.996 4.785 ( 2.930 -3.217 -2.458) 4.998 5.069 ( -4.395 -11.981 5.513) 13.901 6.364 ( -9.231 6.186 -3.943) 11.791 6.915 ( -2.937 -3.810 -0.349) 4.823 8.041 ( 5.769 0.796 0.030) 5.823 8.513 ( -5.498 -5.171 -0.807) 7.591 ======================= Grid point 708 (238/288) ======================= q-point: ( 0.79 0.50 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 2.687 4.655 -0.000) 5.375 2.124 ( 0.245 0.424 -0.000) 0.490 2.161 ( 0.208 0.359 -0.000) 0.415 3.307 ( 1.380 2.390 -0.000) 2.760 4.560 ( 2.201 3.811 -0.000) 4.401 4.630 ( 3.382 5.858 0.000) 6.764 4.793 ( -0.573 -0.993 -0.000) 1.146 5.009 ( 3.071 5.319 -0.000) 6.141 6.277 ( -1.181 -2.045 -0.000) 2.362 6.844 ( -1.599 -2.770 -0.000) 3.199 8.130 ( 2.200 3.810 -0.000) 4.400 8.389 ( -3.127 -5.416 -0.000) 6.254 ======================= Grid point 720 (239/288) ======================= q-point: ( 0.57 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -0.000 3.280 -1.206) 3.494 1.863 ( -0.000 6.900 -6.112) 9.218 2.119 ( 0.000 3.700 1.616) 4.037 3.132 ( 0.000 8.671 7.903) 11.732 3.166 ( -0.000 16.614 1.167) 16.655 4.379 ( -0.000 13.366 -3.664) 13.859 4.714 ( 0.000 -1.061 -0.068) 1.063 5.381 ( 0.000 -18.742 7.069) 20.031 6.614 ( -0.000 17.658 -0.380) 17.662 7.113 ( 0.000 -8.740 -1.622) 8.889 7.706 ( -0.000 0.042 -0.150) 0.155 8.830 ( -0.000 -7.565 -7.709) 10.801 ======================= Grid point 721 (240/288) ======================= q-point: ( 0.64 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 4.382 2.843 -0.502) 5.247 1.943 ( 3.306 5.872 -1.754) 6.963 2.156 ( -0.433 3.501 1.425) 3.805 3.203 ( -1.336 8.293 6.086) 10.373 3.490 ( 17.290 12.793 3.188) 21.743 4.484 ( -0.121 10.382 -1.895) 10.554 4.711 ( 1.080 -1.877 -1.098) 2.428 5.189 ( -2.037 -19.406 5.590) 20.298 6.723 ( -7.635 17.654 -4.462) 19.745 7.014 ( -2.336 -5.161 -1.967) 5.997 7.771 ( 7.063 -0.375 -0.149) 7.075 8.699 ( -3.784 -7.355 -4.013) 9.193 ======================= Grid point 722 (241/288) ======================= q-point: ( 0.71 0.57 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 6.220 2.021 -0.566) 6.564 2.051 ( 3.519 3.135 1.056) 4.830 2.183 ( -0.699 3.166 0.968) 3.384 3.278 ( -0.258 5.303 5.150) 7.397 3.983 ( 25.732 9.902 1.812) 27.631 4.561 ( -0.434 7.014 -1.347) 7.155 4.694 ( 0.744 -4.211 -1.972) 4.709 5.021 ( -0.290 -12.631 6.345) 14.138 6.658 ( -14.277 12.132 -7.980) 20.364 6.933 ( -2.826 -2.124 -0.539) 3.577 7.905 ( 8.911 -0.661 -0.549) 8.952 8.557 ( -4.995 -4.551 -0.490) 6.775 ======================= Grid point 736 (242/288) ======================= q-point: ( 0.64 0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -0.000 2.392 0.074) 2.393 1.973 ( 0.000 5.783 1.857) 6.073 2.196 ( 0.000 2.785 1.622) 3.223 3.336 ( 0.000 5.544 10.922) 12.248 3.431 ( -0.000 9.665 0.916) 9.708 4.575 ( -0.000 9.017 -0.858) 9.057 4.685 ( -0.000 -1.407 -1.835) 2.312 5.019 ( 0.000 -20.035 3.284) 20.302 6.944 ( -0.000 15.518 -8.938) 17.908 6.987 ( -0.000 -2.603 -1.389) 2.950 7.706 ( -0.000 0.114 -0.245) 0.270 8.651 ( -0.000 -6.227 -1.410) 6.385 ======================= Grid point 738 (243/288) ======================= q-point: (-0.29 -0.36 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 3.877 1.383 0.156) 4.119 2.049 ( 1.596 4.024 3.403) 5.506 2.222 ( -0.380 2.119 1.850) 2.839 3.367 ( -2.677 2.880 9.118) 9.929 3.683 ( 17.378 4.265 3.044) 18.151 4.632 ( -1.712 3.685 -1.236) 4.247 4.662 ( -0.276 -0.600 -2.263) 2.357 4.883 ( 3.124 -11.782 3.089) 12.574 6.912 ( -6.252 2.848 -9.676) 11.867 6.987 ( -4.718 5.123 -2.793) 7.504 7.764 ( 6.284 -0.169 -0.578) 6.313 8.589 ( -2.593 -1.595 1.277) 3.301 ======================= Grid point 753 (244/288) ======================= q-point: (-0.29 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.000 0.704 0.755) 1.032 2.088 ( 0.000 3.304 4.111) 5.274 2.250 ( 0.000 1.354 2.823) 3.131 3.459 ( 0.000 -2.800 14.784) 15.047 3.542 ( 0.000 0.708 1.356) 1.530 4.640 ( -0.000 -1.092 -3.335) 3.509 4.648 ( -0.000 -5.762 -2.168) 6.157 4.804 ( 0.000 3.572 1.862) 4.028 6.932 ( -0.000 -0.314 -7.015) 7.022 7.054 ( -0.000 0.273 -7.954) 7.959 7.708 ( -0.000 0.208 -0.208) 0.294 8.633 ( 0.000 4.680 2.571) 5.340 ======================= Grid point 860 (245/288) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 -0.000 21.703) 21.703 0.926 ( 0.000 -0.000 21.703) 21.703 1.523 ( 0.000 -0.000 35.478) 35.478 1.933 ( -0.000 0.000 -9.744) 9.744 1.933 ( -0.000 0.000 -9.744) 9.744 3.305 ( -0.000 0.000 -16.074) 16.074 4.913 ( -0.000 0.000 -0.497) 0.497 4.913 ( -0.000 0.000 -0.497) 0.497 7.230 ( -0.000 0.000 -1.324) 1.324 7.688 ( 0.000 -0.000 0.822) 0.822 7.688 ( 0.000 -0.000 0.822) 0.822 9.075 ( 0.000 -0.000 1.259) 1.259 ======================= Grid point 861 (246/288) ======================= q-point: ( 0.36 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 3.729 2.153 17.943) 18.453 1.105 ( 3.574 2.064 21.440) 21.833 1.732 ( 6.576 3.797 18.068) 19.599 2.030 ( 7.884 4.552 -8.692) 12.586 2.067 ( 18.679 10.784 -3.897) 21.918 3.106 ( -9.526 -5.500 -12.493) 16.646 4.908 ( -0.936 -0.541 -0.833) 1.365 5.059 ( 12.431 7.177 -0.869) 14.381 7.078 ( -9.601 -5.543 -1.673) 11.212 7.702 ( 0.510 0.295 0.581) 0.828 7.914 ( 12.796 7.388 6.124) 15.994 8.982 ( -7.575 -4.373 -8.018) 11.865 ======================= Grid point 862 (247/288) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 7.061 4.077 11.544) 14.133 1.222 ( 2.078 1.200 16.238) 16.414 1.885 ( 5.071 2.927 1.964) 6.176 2.231 ( 12.177 7.030 -6.718) 15.583 2.627 ( 26.526 15.315 1.438) 30.663 2.944 ( 0.882 0.509 -8.519) 8.580 4.869 ( -2.138 -1.235 -1.251) 2.768 5.379 ( 14.788 8.538 -0.152) 17.076 6.834 ( -11.277 -6.511 -2.294) 13.223 7.712 ( 0.237 0.137 0.244) 0.367 8.078 ( -5.907 -3.411 20.840) 21.928 8.781 ( -2.136 -1.233 -22.765) 22.898 ======================= Grid point 863 (248/288) ======================= q-point: ( 0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 6.112 3.529 8.350) 10.934 1.360 ( 6.928 4.000 6.064) 10.039 1.989 ( 4.303 2.484 -1.038) 5.076 2.525 ( 15.320 8.845 -4.506) 18.255 2.912 ( 6.536 3.774 -3.977) 8.531 3.356 ( 28.127 16.239 -0.697) 32.486 4.810 ( -2.548 -1.471 -1.195) 3.175 5.669 ( 9.857 5.691 0.116) 11.383 6.582 ( -9.609 -5.547 -2.345) 11.340 7.713 ( -0.120 -0.070 0.004) 0.139 7.784 ( -21.264 -12.277 12.352) 27.485 8.772 ( 3.704 2.139 -12.162) 12.893 ======================= Grid point 864 (249/288) ======================= q-point: ( 0.57 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 5.664 3.270 2.522) 7.010 1.559 ( 10.903 6.295 2.899) 12.919 2.076 ( 3.815 2.203 -1.425) 4.630 2.868 ( 15.886 9.172 -2.806) 18.557 3.081 ( 9.370 5.410 -4.249) 11.624 3.935 ( 22.312 12.882 0.292) 25.766 4.752 ( -2.387 -1.378 -0.372) 2.781 5.759 ( -3.102 -1.791 -1.609) 3.927 6.444 ( -0.817 -0.472 -0.819) 1.249 7.347 ( -18.018 -10.403 4.733) 21.337 7.708 ( -0.261 -0.151 -0.022) 0.302 8.792 ( -0.344 -0.199 -2.214) 2.250 ======================= Grid point 865 (250/288) ======================= q-point: ( 0.64 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 4.128 2.383 0.572) 4.801 1.815 ( 10.679 6.165 -1.060) 12.376 2.151 ( 3.258 1.881 -1.451) 4.033 3.196 ( 13.497 7.792 -1.736) 15.681 3.284 ( 9.817 5.668 -6.842) 13.241 4.334 ( 13.256 7.653 0.751) 15.325 4.702 ( -2.123 -1.226 1.049) 2.667 5.505 ( -17.164 -9.909 -5.152) 20.477 6.559 ( 9.464 5.464 5.604) 12.281 7.066 ( -7.891 -4.556 2.499) 9.448 7.704 ( -0.126 -0.073 0.099) 0.176 8.740 ( -3.802 -2.195 0.712) 4.448 ======================= Grid point 866 (251/288) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 2.424 1.399 -0.396) 2.827 2.002 ( 6.470 3.735 -3.898) 8.426 2.212 ( 2.623 1.515 -1.760) 3.503 3.441 ( 8.347 4.819 -1.291) 9.724 3.447 ( 6.569 3.793 -11.610) 13.869 4.566 ( 7.935 4.582 0.997) 9.217 4.663 ( -1.849 -1.067 2.542) 3.319 5.056 ( -18.929 -10.929 -4.239) 22.265 6.830 ( 9.137 5.275 13.533) 17.160 6.983 ( -0.116 -0.067 0.089) 0.161 7.704 ( 0.091 0.053 0.204) 0.229 8.648 ( -3.579 -2.066 -0.700) 4.192 ======================= Grid point 875 (252/288) ======================= q-point: ( 0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 5.466 17.795) 18.616 1.224 ( 0.000 10.475 17.556) 20.444 1.802 ( 0.000 5.483 21.339) 22.033 1.843 ( -0.000 2.672 -10.315) 10.655 2.175 ( -0.000 25.655 -5.567) 26.252 3.070 ( -0.000 -9.776 -14.157) 17.205 4.880 ( 0.000 -2.308 -0.205) 2.317 5.037 ( -0.000 10.011 0.490) 10.023 7.071 ( 0.000 -11.524 -1.434) 11.613 7.687 ( 0.000 -0.128 0.912) 0.920 7.912 ( 0.000 11.792 6.021) 13.240 9.012 ( -0.000 -3.444 -8.339) 9.022 ======================= Grid point 876 (253/288) ======================= q-point: ( 0.43 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 1.773 7.739 12.580) 14.876 1.342 ( -2.601 7.628 13.619) 15.825 1.857 ( 2.051 4.620 2.015) 5.442 2.070 ( 13.312 8.417 -1.960) 15.871 2.524 ( 10.681 28.123 -1.151) 30.105 2.917 ( -1.687 -3.266 -10.307) 10.943 4.876 ( 0.634 -1.776 -0.999) 2.134 5.226 ( 9.966 9.213 1.642) 13.671 6.891 ( -6.305 -11.557 -1.688) 13.273 7.694 ( 0.425 -1.148 0.646) 1.384 8.080 ( 5.915 -2.440 16.173) 17.393 8.857 ( -9.748 2.448 -19.171) 21.646 ======================= Grid point 877 (254/288) ======================= q-point: ( 0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 3.010 7.466 6.895) 10.599 1.412 ( -0.984 7.790 8.717) 11.733 1.950 ( 3.086 3.596 0.487) 4.764 2.394 ( 13.240 14.454 -5.163) 20.270 2.830 ( 5.896 3.450 -3.339) 7.604 3.137 ( 18.879 23.944 -1.824) 30.546 4.846 ( -2.272 -0.274 -1.340) 2.652 5.503 ( 12.867 4.111 1.030) 13.547 6.651 ( -8.087 -10.199 -1.767) 13.136 7.659 ( -1.429 -7.125 1.386) 7.397 8.038 ( -9.379 -9.992 14.697) 20.095 8.740 ( -1.777 8.068 -17.007) 18.908 ======================= Grid point 878 (255/288) ======================= q-point: ( 0.57 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 5.538 8.787 5.201) 11.617 1.521 ( 1.929 8.187 3.324) 9.044 2.032 ( 3.312 2.477 -0.815) 4.215 2.746 ( 12.398 15.328 -4.313) 20.181 2.994 ( 8.124 9.063 -2.575) 12.441 3.703 ( 21.760 18.000 0.425) 28.243 4.795 ( -3.252 0.412 -0.879) 3.393 5.688 ( 6.791 -3.101 -1.007) 7.533 6.448 ( -4.304 -6.341 -1.519) 7.813 7.453 ( -9.714 -16.549 2.904) 19.408 7.849 ( -9.806 4.871 2.109) 11.150 8.766 ( 1.568 0.645 -3.418) 3.815 ======================= Grid point 879 (256/288) ======================= q-point: ( 0.64 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 1.675 6.419 2.005) 6.931 1.739 ( 7.762 9.932 1.784) 12.731 2.105 ( 3.440 1.625 -1.387) 4.049 3.049 ( 11.350 8.034 -3.911) 14.446 3.253 ( 7.075 18.465 -3.227) 20.036 4.172 ( 16.437 10.426 1.478) 19.521 4.744 ( -3.131 0.365 0.220) 3.160 5.607 ( -7.912 -10.636 -4.516) 14.004 6.432 ( 7.645 -1.169 1.347) 7.850 7.153 ( -8.986 -9.779 2.206) 13.463 7.788 ( -5.628 6.399 0.245) 8.525 8.753 ( -0.923 -4.225 1.824) 4.694 ======================= Grid point 880 (257/288) ======================= q-point: ( 0.71 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.690 5.285 0.552) 5.358 1.941 ( 5.504 7.022 -1.211) 9.004 2.171 ( 3.267 1.180 -1.473) 3.773 3.263 ( 9.395 3.066 -5.906) 11.513 3.523 ( 2.458 20.797 -3.597) 21.249 4.468 ( 9.755 5.451 1.242) 11.243 4.698 ( -2.646 -0.446 1.591) 3.119 5.245 ( -17.047 -11.654 -5.878) 21.470 6.663 ( 16.351 0.284 7.743) 18.094 6.997 ( -3.074 -3.849 1.480) 5.143 7.769 ( -4.019 5.792 0.380) 7.061 8.672 ( -3.118 -5.494 1.505) 6.494 ======================= Grid point 890 (258/288) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.000 9.162 9.585) 13.259 1.457 ( 0.000 4.745 4.063) 6.246 1.979 ( -0.000 16.020 -0.909) 16.045 1.983 ( 0.000 4.188 5.204) 6.680 2.702 ( -0.000 19.242 -5.887) 20.122 2.900 ( -0.000 11.622 -6.953) 13.543 4.827 ( 0.000 -2.910 0.273) 2.923 5.275 ( 0.000 12.080 4.702) 12.963 6.812 ( 0.000 -13.855 -1.207) 13.908 7.694 ( 0.000 0.177 0.906) 0.923 8.016 ( 0.000 -11.084 17.017) 20.308 8.917 ( -0.000 5.658 -21.782) 22.505 ======================= Grid point 891 (259/288) ======================= q-point: ( 0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.214 9.133 3.697) 9.855 1.506 ( 0.513 4.887 1.554) 5.154 1.984 ( -1.589 4.678 1.699) 5.224 2.304 ( 13.141 17.259 -1.457) 21.741 2.776 ( 3.114 3.481 -2.212) 5.168 3.194 ( 6.374 31.970 -4.593) 32.921 4.830 ( 2.325 -2.326 -0.498) 3.326 5.430 ( 3.343 8.848 5.701) 11.044 6.637 ( -4.115 -12.905 -0.826) 13.570 7.650 ( -4.305 -5.422 1.877) 7.173 7.980 ( 4.923 -15.021 13.955) 21.086 8.855 ( -6.233 8.659 -19.677) 22.384 ======================= Grid point 892 (260/288) ======================= q-point: ( 0.57 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 3.357 9.396 1.524) 10.094 1.590 ( 1.356 7.509 1.229) 7.729 2.020 ( 1.016 2.821 0.171) 3.004 2.687 ( 11.375 16.121 -3.410) 20.023 2.950 ( 10.015 12.317 1.709) 15.967 3.618 ( 11.495 25.138 -2.680) 27.771 4.832 ( -0.290 -0.615 -0.966) 1.181 5.561 ( 4.026 0.296 3.153) 5.122 6.447 ( -4.582 -9.066 -0.501) 10.170 7.451 ( -7.626 -14.110 2.098) 16.176 7.969 ( 0.358 -3.616 5.055) 6.226 8.779 ( -3.983 3.560 -9.247) 10.679 ======================= Grid point 893 (261/288) ======================= q-point: ( 0.64 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 1.544 6.773 2.151) 7.272 1.740 ( 5.828 11.743 0.793) 13.134 2.069 ( 2.100 1.728 -0.586) 2.782 2.949 ( 8.380 8.487 -2.734) 12.236 3.334 ( 10.392 25.231 -0.289) 27.289 4.027 ( 13.934 14.700 0.327) 20.257 4.805 ( -2.582 0.695 -0.221) 2.683 5.555 ( -0.852 -9.224 -1.365) 9.364 6.337 ( 0.337 -4.192 0.020) 4.205 7.191 ( -7.489 -11.481 0.900) 13.737 7.948 ( -4.129 4.163 0.653) 5.900 8.722 ( -1.147 -3.944 -0.439) 4.131 ======================= Grid point 894 (262/288) ======================= q-point: ( 0.71 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1376 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.292 6.925 0.940) 6.995 1.942 ( 4.356 9.295 1.074) 10.321 2.121 ( 3.034 0.908 -1.108) 3.355 3.143 ( 7.750 5.482 -3.556) 10.137 3.718 ( 3.634 28.678 -2.009) 28.977 4.354 ( 11.452 7.288 1.805) 13.694 4.760 ( -3.799 0.672 1.116) 4.016 5.336 ( -9.948 -12.766 -5.809) 17.195 6.412 ( 11.893 -2.720 3.634) 12.729 7.012 ( -3.943 -6.173 1.058) 7.400 7.922 ( -5.284 6.765 0.083) 8.584 8.650 ( -1.309 -7.304 2.036) 7.695 ======================= Grid point 906 (263/288) ======================= q-point: ( 0.50 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -0.000 3.203 -3.015) 4.399 1.524 ( -0.000 9.650 -0.924) 9.694 2.031 ( -0.000 1.306 -3.233) 3.486 2.375 ( -0.000 21.356 3.902) 21.710 2.789 ( 0.000 5.692 1.496) 5.885 3.456 ( -0.000 33.621 -6.260) 34.199 4.777 ( 0.000 -2.470 0.738) 2.578 5.535 ( 0.000 9.160 8.444) 12.458 6.544 ( 0.000 -12.236 0.110) 12.237 7.703 ( 0.000 0.153 0.621) 0.640 7.750 ( 0.000 -22.678 10.988) 25.200 8.923 ( -0.000 6.255 -17.799) 18.866 ======================= Grid point 907 (264/288) ======================= q-point: ( 0.57 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 2.615 5.287 -1.935) 6.208 1.629 ( 2.332 8.994 -4.360) 10.263 2.036 ( 0.149 2.162 -1.196) 2.475 2.680 ( 8.471 19.192 1.585) 21.038 2.919 ( 6.858 10.485 4.445) 13.294 3.765 ( 2.448 28.514 -5.524) 29.147 4.784 ( 2.686 -2.124 0.034) 3.425 5.602 ( -2.949 2.548 7.595) 8.536 6.425 ( -2.453 -7.180 0.767) 7.626 7.452 ( -8.130 -15.684 2.668) 17.866 7.830 ( 9.589 -5.020 3.274) 11.308 8.868 ( -5.175 2.631 -12.254) 13.559 ======================= Grid point 908 (265/288) ======================= q-point: ( 0.64 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 5.036 5.073 0.711) 7.184 1.764 ( 4.477 11.051 -3.661) 12.473 2.065 ( 0.635 2.220 0.159) 2.315 2.930 ( 4.485 10.811 1.121) 11.758 3.318 ( 18.374 20.949 2.806) 28.006 4.043 ( 4.108 20.104 -2.965) 20.732 4.806 ( 1.844 -1.519 -0.626) 2.470 5.528 ( -5.151 -7.087 4.228) 9.728 6.337 ( -3.428 -1.070 0.009) 3.591 7.195 ( -6.414 -11.839 -0.072) 13.465 7.944 ( 6.304 -1.551 1.482) 6.659 8.745 ( -5.732 -2.046 -5.078) 7.926 ======================= Grid point 909 (266/288) ======================= q-point: ( 0.71 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 3.200 5.542 -0.000) 6.400 1.956 ( 5.605 9.708 -0.000) 11.210 2.095 ( 0.750 1.299 -0.000) 1.500 3.096 ( 4.548 7.877 -0.000) 9.096 3.852 ( 14.988 25.961 -0.000) 29.977 4.277 ( 6.466 11.200 -0.000) 12.932 4.809 ( -0.239 -0.414 -0.000) 0.478 5.332 ( -7.232 -12.526 -0.000) 14.464 6.297 ( 0.036 0.063 -0.000) 0.073 7.016 ( -4.027 -6.974 -0.000) 8.053 8.014 ( 1.333 2.309 -0.000) 2.666 8.619 ( -3.446 -5.969 -0.000) 6.892 ======================= Grid point 922 (267/288) ======================= q-point: ( 0.57 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -0.000 4.024 -2.751) 4.874 1.673 ( -0.000 9.332 -7.712) 12.106 2.057 ( -0.000 3.072 0.102) 3.073 2.809 ( -0.000 20.259 2.924) 20.469 2.973 ( 0.000 9.551 6.063) 11.312 3.995 ( -0.000 24.980 -5.507) 25.580 4.741 ( 0.000 -1.739 0.616) 1.845 5.660 ( 0.000 -4.656 8.208) 9.437 6.416 ( 0.000 1.085 1.628) 1.956 7.373 ( 0.000 -18.664 1.830) 18.753 7.706 ( 0.000 -0.033 0.173) 0.176 8.886 ( -0.000 -0.731 -10.706) 10.731 ======================= Grid point 923 (268/288) ======================= q-point: ( 0.64 0.57 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 4.544 4.142 -1.222) 6.269 1.775 ( 3.765 9.733 -5.353) 11.729 2.092 ( -0.136 3.467 1.249) 3.688 3.012 ( 0.828 13.192 3.676) 13.720 3.215 ( 14.251 15.578 4.425) 21.572 4.198 ( 0.388 18.938 -3.622) 19.285 4.746 ( 2.081 -1.964 -0.213) 2.869 5.551 ( -4.676 -13.009 6.785) 15.399 6.439 ( -4.236 8.444 -0.172) 9.449 7.170 ( -4.308 -12.088 -1.238) 12.892 7.787 ( 8.300 -1.415 0.415) 8.430 8.795 ( -4.407 -3.531 -6.563) 8.658 ======================= Grid point 939 (269/288) ======================= q-point: (-0.36 -0.36 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -0.000 3.983 -0.987) 4.104 1.821 ( -0.000 9.673 -2.465) 9.982 2.135 ( 0.000 3.775 1.675) 4.130 3.180 ( -0.000 16.055 1.603) 16.135 3.211 ( 0.000 9.808 7.986) 12.648 4.350 ( -0.000 14.714 -2.358) 14.902 4.710 ( -0.000 -1.658 -0.613) 1.768 5.448 ( 0.000 -19.891 6.426) 20.904 6.599 ( -0.000 14.970 -2.717) 15.215 7.092 ( -0.000 -9.494 -2.548) 9.830 7.705 ( -0.000 -0.066 -0.138) 0.153 8.768 ( -0.000 -5.550 -4.790) 7.331 ======================= Grid point 1078 (270/288) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.000 -0.000 19.753) 19.753 1.129 ( 0.000 -0.000 19.753) 19.753 1.828 ( -0.000 0.000 -11.654) 11.654 1.828 ( -0.000 0.000 -11.654) 11.654 1.852 ( 0.000 -0.000 31.522) 31.522 3.135 ( -0.000 0.000 -18.411) 18.411 4.909 ( -0.000 0.000 -0.394) 0.394 4.909 ( -0.000 0.000 -0.394) 0.394 7.218 ( -0.000 0.000 -1.037) 1.037 7.695 ( 0.000 -0.000 0.657) 0.657 7.695 ( 0.000 -0.000 0.657) 0.657 9.086 ( 0.000 -0.000 0.995) 0.995 ======================= Grid point 1079 (271/288) ======================= q-point: ( 0.43 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 1.586 0.916 16.834) 16.933 1.297 ( 3.065 1.769 17.132) 17.494 1.803 ( 3.384 1.954 -2.542) 4.662 1.935 ( 8.907 5.142 -10.734) 14.866 2.129 ( 17.042 9.839 15.608) 25.117 2.970 ( -6.981 -4.031 -14.819) 16.870 4.899 ( -1.155 -0.667 -0.922) 1.622 5.051 ( 12.201 7.044 -0.770) 14.110 7.064 ( -9.946 -5.742 -1.120) 11.539 7.706 ( 0.392 0.226 0.219) 0.503 7.962 ( 17.692 10.215 3.666) 20.755 8.925 ( -13.633 -7.871 -3.811) 16.197 ======================= Grid point 1080 (272/288) ======================= q-point: ( 0.50 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 4.483 2.588 11.336) 12.462 1.364 ( -0.108 -0.062 11.766) 11.767 1.893 ( 4.106 2.371 0.911) 4.828 2.157 ( 13.515 7.803 -8.285) 17.669 2.669 ( 23.564 13.605 6.547) 27.986 2.853 ( 3.847 2.221 -9.885) 10.837 4.856 ( -2.232 -1.289 -1.370) 2.919 5.369 ( 14.943 8.627 -1.756) 17.343 6.816 ( -11.525 -6.654 -1.472) 13.390 7.712 ( 0.165 0.095 -0.160) 0.249 8.284 ( -3.168 -1.829 21.362) 21.673 8.568 ( -4.420 -2.552 -20.949) 21.562 ======================= Grid point 1081 (273/288) ======================= q-point: ( 0.57 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 4.969 2.869 6.279) 8.506 1.430 ( 3.992 2.305 8.402) 9.583 1.983 ( 3.757 2.169 0.085) 4.338 2.475 ( 16.477 9.513 -5.466) 19.796 2.868 ( 6.594 3.807 -4.940) 9.076 3.366 ( 28.313 16.346 2.472) 32.786 4.798 ( -2.345 -1.354 -1.284) 2.997 5.653 ( 9.886 5.708 -3.269) 11.874 6.562 ( -9.736 -5.621 -1.745) 11.377 7.712 ( -0.101 -0.058 -0.273) 0.297 7.864 ( -24.489 -14.139 3.036) 28.440 8.708 ( 7.702 4.447 0.008) 8.894 ======================= Grid point 1082 (274/288) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 4.462 2.576 2.923) 5.923 1.604 ( 8.799 5.080 6.128) 11.865 2.063 ( 3.574 2.063 -1.130) 4.279 2.839 ( 16.672 9.626 -3.175) 19.512 3.032 ( 8.957 5.171 -5.709) 11.814 3.952 ( 22.059 12.736 3.166) 25.668 4.747 ( -1.877 -1.084 -0.548) 2.236 5.726 ( -3.829 -2.211 -5.159) 6.794 6.432 ( 0.517 0.299 -1.533) 1.645 7.377 ( -18.064 -10.429 1.274) 20.897 7.708 ( -0.177 -0.102 -0.108) 0.231 8.806 ( 0.315 0.182 5.124) 5.136 ======================= Grid point 1094 (275/288) ======================= q-point: ( 0.43 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 2.854 16.136) 16.387 1.373 ( 0.000 6.407 11.683) 13.325 1.751 ( -0.000 5.576 -7.442) 9.299 1.905 ( -0.000 6.871 -2.136) 7.196 2.200 ( 0.000 19.372 12.083) 22.831 2.924 ( -0.000 -7.139 -14.941) 16.559 4.880 ( 0.000 -2.183 0.210) 2.193 5.040 ( -0.000 11.476 0.166) 11.477 7.060 ( 0.000 -11.742 -0.849) 11.773 7.695 ( 0.000 -0.043 0.811) 0.812 7.960 ( 0.000 17.947 3.757) 18.336 8.948 ( -0.000 -11.750 -5.024) 12.778 ======================= Grid point 1095 (276/288) ======================= q-point: ( 0.50 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.469 4.332 11.154) 11.975 1.434 ( -0.824 3.255 4.196) 5.374 1.875 ( 3.052 7.010 3.471) 8.396 2.031 ( 8.964 9.861 -6.643) 14.890 2.552 ( 12.288 23.170 6.331) 26.980 2.813 ( -0.449 -0.492 -10.580) 10.601 4.868 ( -0.013 -1.669 -0.536) 1.753 5.237 ( 8.795 11.287 0.671) 14.325 6.879 ( -6.517 -11.608 -0.865) 13.341 7.699 ( 0.106 -0.855 0.324) 0.921 8.231 ( 10.389 5.329 14.071) 18.284 8.685 ( -13.199 -6.705 -15.351) 21.326 ======================= Grid point 1096 (277/288) ======================= q-point: ( 0.57 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 2.519 4.446 5.465) 7.482 1.479 ( 0.255 5.314 4.469) 6.948 1.963 ( 1.748 3.186 2.386) 4.348 2.339 ( 13.135 16.000 -5.462) 21.409 2.800 ( 4.710 4.182 -2.825) 6.903 3.133 ( 21.190 23.458 0.963) 31.626 4.835 ( -2.402 -0.136 -0.932) 2.580 5.500 ( 11.075 5.854 -1.411) 12.606 6.638 ( -8.370 -10.054 -0.935) 13.115 7.666 ( -1.297 -5.963 0.119) 6.104 8.145 ( -16.661 -13.049 4.603) 21.657 8.627 ( 6.862 9.185 -3.820) 12.085 ======================= Grid point 1097 (278/288) ======================= q-point: ( 0.64 0.43 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 3.744 7.012 2.606) 8.365 1.578 ( 3.738 6.541 5.966) 9.609 2.029 ( 2.498 2.173 0.230) 3.319 2.706 ( 12.848 15.687 -3.633) 20.600 2.961 ( 6.943 10.818 -3.956) 13.449 3.721 ( 22.635 17.096 3.269) 28.553 4.788 ( -3.070 0.731 -0.583) 3.209 5.661 ( 5.294 -2.162 -4.459) 7.251 6.435 ( -4.479 -5.857 -1.255) 7.480 7.467 ( -9.502 -16.196 -0.168) 18.779 7.854 ( -10.909 5.066 -1.201) 12.088 8.778 ( 4.384 -0.642 5.687) 7.209 ======================= Grid point 1110 (279/288) ======================= q-point: ( 0.50 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 4.715 7.061) 8.491 1.456 ( -0.000 2.139 -4.192) 4.706 1.983 ( -0.000 2.826 -4.514) 5.326 2.003 ( 0.000 17.933 5.442) 18.741 2.691 ( 0.000 12.966 3.571) 13.449 2.826 ( -0.000 18.260 -8.133) 19.990 4.833 ( 0.000 -2.821 0.830) 2.941 5.315 ( 0.000 14.554 3.678) 15.012 6.804 ( 0.000 -13.724 -0.335) 13.728 7.702 ( 0.000 0.137 0.796) 0.808 8.188 ( 0.000 -9.596 18.181) 20.558 8.705 ( -0.000 2.834 -21.669) 21.853 ======================= Grid point 1111 (280/288) ======================= q-point: ( 0.57 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 1372 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.416 4.930 -0.604) 4.985 1.504 ( 2.733 4.200 -1.371) 5.195 1.987 ( 0.077 2.546 -1.496) 2.954 2.301 ( 10.002 19.297 1.713) 21.802 2.776 ( 3.034 5.228 1.782) 6.301 3.154 ( 7.760 31.138 -3.315) 32.261 4.829 ( 1.589 -2.242 0.293) 2.764 5.476 ( 1.647 11.029 3.594) 11.716 6.633 ( -4.302 -12.546 0.029) 13.263 7.663 ( -4.154 -4.305 0.756) 6.030 8.107 ( 2.419 -20.781 10.640) 23.472 8.684 ( -2.629 11.826 -13.848) 18.400 ======================= Grid point 1112 (281/288) ======================= q-point: ( 0.64 0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 4.962 8.594 -0.000) 9.924 1.597 ( 2.998 5.193 0.000) 5.996 2.021 ( 1.289 2.232 -0.000) 2.577 2.670 ( 9.925 17.190 -0.000) 19.849 2.959 ( 8.249 14.287 -0.000) 16.497 3.604 ( 13.697 23.724 -0.000) 27.394 4.827 ( -0.357 -0.618 -0.000) 0.713 5.576 ( 1.193 2.067 -0.000) 2.387 6.445 ( -4.984 -8.633 -0.000) 9.969 7.461 ( -8.075 -13.986 -0.000) 16.150 7.996 ( -2.300 -3.984 -0.000) 4.600 8.731 ( 1.336 2.314 -0.000) 2.672 ======================= Grid point 1126 (282/288) ======================= q-point: ( 0.57 0.57 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -0.000 3.979 -5.322) 6.645 1.497 ( -0.000 5.738 -4.911) 7.552 1.997 ( -0.000 2.679 -2.896) 3.945 2.421 ( 0.000 20.395 5.383) 21.093 2.821 ( 0.000 7.286 4.500) 8.564 3.402 ( -0.000 32.946 -4.738) 33.285 4.786 ( 0.000 -2.540 1.121) 2.777 5.607 ( 0.000 10.656 6.077) 12.267 6.549 ( 0.000 -11.664 0.924) 11.700 7.708 ( 0.000 -0.012 0.496) 0.496 7.841 ( 0.000 -26.963 6.884) 27.828 8.772 ( -0.000 8.940 -12.129) 15.068 ======================= Grid point 1300 (283/288) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.000 -0.000 15.947) 15.947 1.307 ( 0.000 -0.000 15.947) 15.947 1.710 ( -0.000 0.000 -11.859) 11.859 1.710 ( -0.000 0.000 -11.859) 11.859 2.125 ( 0.000 -0.000 23.044) 23.044 2.958 ( -0.000 0.000 -16.436) 16.436 4.905 ( -0.000 0.000 -0.217) 0.217 4.905 ( -0.000 0.000 -0.217) 0.217 7.210 ( -0.000 0.000 -0.566) 0.566 7.700 ( 0.000 -0.000 0.364) 0.364 7.700 ( 0.000 -0.000 0.364) 0.364 9.093 ( 0.000 -0.000 0.546) 0.546 ======================= Grid point 1301 (284/288) ======================= q-point: ( 0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 735 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.098 0.056 13.900) 13.901 1.412 ( 1.158 0.668 4.332) 4.534 1.773 ( 8.571 4.948 0.343) 9.902 1.825 ( 9.866 5.696 -11.278) 16.030 2.287 ( 10.906 6.296 13.090) 18.164 2.835 ( -4.926 -2.844 -11.009) 12.391 4.890 ( -1.422 -0.821 -0.833) 1.841 5.045 ( 11.638 6.719 -0.464) 13.447 7.056 ( -10.140 -5.854 -0.485) 11.719 7.706 ( 0.242 0.140 -0.185) 0.335 7.986 ( 19.940 11.512 1.171) 23.055 8.904 ( -16.182 -9.342 -0.593) 18.694 ======================= Grid point 1302 (285/288) ======================= q-point: ( 0.57 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 744 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 2.502 1.445 9.307) 9.745 1.429 ( 0.767 0.443 0.970) 1.313 1.924 ( 3.437 1.984 5.719) 6.961 2.074 ( 14.879 8.590 -8.397) 19.123 2.743 ( 12.376 7.145 6.904) 15.871 2.759 ( 14.591 8.424 -7.568) 18.470 4.843 ( -2.341 -1.351 -1.220) 2.965 5.347 ( 14.162 8.177 -2.788) 16.589 6.806 ( -11.733 -6.774 -0.575) 13.560 7.709 ( 0.123 0.071 -0.530) 0.549 8.371 ( -6.051 -3.493 -19.429) 20.647 8.494 ( -0.817 -0.472 21.559) 21.579 ======================= Grid point 1316 (286/288) ======================= q-point: ( 0.50 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 742 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.000 0.954 10.833) 10.875 1.415 ( -0.000 0.568 -4.356) 4.393 1.735 ( 0.000 10.894 5.249) 12.092 1.830 ( -0.000 11.784 -9.415) 15.083 2.321 ( 0.000 11.656 7.320) 13.763 2.807 ( -0.000 -5.265 -6.501) 8.366 4.883 ( 0.000 -1.945 0.579) 2.030 5.042 ( -0.000 12.574 0.201) 12.575 7.055 ( 0.000 -11.794 -0.192) 11.796 7.702 ( 0.000 0.102 0.552) 0.561 7.985 ( -0.000 22.055 1.342) 22.096 8.912 ( 0.000 -17.191 -2.219) 17.334 ======================= Grid point 1317 (287/288) ======================= q-point: ( 0.57 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.336 0.581 0.000) 0.671 1.433 ( 1.616 2.799 -0.000) 3.232 1.921 ( 2.543 4.405 -0.000) 5.086 1.967 ( 8.610 14.913 0.000) 17.221 2.604 ( 13.031 22.570 0.000) 26.061 2.743 ( -0.732 -1.268 -0.000) 1.464 4.866 ( -0.766 -1.327 -0.000) 1.533 5.240 ( 7.288 12.623 -0.000) 14.575 6.874 ( -6.682 -11.574 -0.000) 13.364 7.700 ( -0.337 -0.583 -0.000) 0.673 8.317 ( 10.794 18.695 -0.000) 21.587 8.594 ( -12.215 -21.157 0.000) 24.430 ======================= Grid point 1527 (288/288) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 2.98e-04 2.98e-04 0.00e+00 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -0.000 0.000 -0.000) 0.000 1.403 ( -0.000 0.000 -0.000) 0.000 1.634 ( 0.000 -0.000 0.000) 0.000 1.634 ( 0.000 -0.000 0.000) 0.000 2.253 ( 0.000 -0.000 0.000) 0.000 2.862 ( 0.000 -0.000 0.000) 0.000 4.904 ( 0.000 -0.000 0.000) 0.000 4.904 ( 0.000 -0.000 0.000) 0.000 7.208 ( 0.000 -0.000 0.000) 0.000 7.702 ( 0.000 -0.000 0.000) 0.000 7.702 ( 0.000 -0.000 0.000) 0.000 9.096 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32928 10.0 517.121 517.121 994.117 -0.000 0.000 -0.000 3/32928 20.0 96.654 96.654 113.408 -0.000 0.000 -0.000 3/32928 30.0 41.470 41.470 42.228 -0.000 0.000 -0.000 3/32928 40.0 25.190 25.190 23.798 -0.000 0.000 -0.000 3/32928 50.0 18.089 18.089 16.186 -0.000 0.000 -0.000 3/32928 60.0 14.226 14.226 12.208 -0.000 0.000 -0.000 3/32928 70.0 11.812 11.812 9.819 -0.000 -0.000 -0.000 3/32928 80.0 10.158 10.158 8.243 -0.000 -0.000 -0.000 3/32928 90.0 8.947 8.947 7.131 -0.000 -0.000 -0.000 3/32928 100.0 8.017 8.017 6.304 -0.000 -0.000 -0.000 3/32928 110.0 7.277 7.277 5.664 -0.000 -0.000 -0.000 3/32928 120.0 6.672 6.672 5.153 -0.000 -0.000 -0.000 3/32928 130.0 6.165 6.165 4.733 -0.000 -0.000 -0.000 3/32928 140.0 5.733 5.733 4.381 -0.000 -0.000 -0.000 3/32928 150.0 5.360 5.360 4.081 0.000 -0.000 -0.000 3/32928 160.0 5.034 5.034 3.822 0.000 -0.000 -0.000 3/32928 170.0 4.747 4.747 3.595 0.000 -0.000 -0.000 3/32928 180.0 4.491 4.491 3.395 0.000 -0.000 -0.000 3/32928 190.0 4.262 4.262 3.216 0.000 -0.000 -0.000 3/32928 200.0 4.055 4.055 3.056 0.000 -0.000 -0.000 3/32928 210.0 3.867 3.867 2.912 0.000 -0.000 -0.000 3/32928 220.0 3.696 3.696 2.780 0.000 -0.000 -0.000 3/32928 230.0 3.540 3.540 2.661 0.000 -0.000 -0.000 3/32928 240.0 3.396 3.396 2.551 0.000 -0.000 -0.000 3/32928 250.0 3.264 3.264 2.450 0.000 -0.000 -0.000 3/32928 260.0 3.142 3.142 2.357 0.000 -0.000 -0.000 3/32928 270.0 3.028 3.028 2.271 0.000 -0.000 -0.000 3/32928 280.0 2.922 2.922 2.190 0.000 -0.000 -0.000 3/32928 290.0 2.824 2.824 2.116 0.000 -0.000 -0.000 3/32928 300.0 2.731 2.731 2.046 0.000 -0.000 -0.000 3/32928 310.0 2.645 2.645 1.981 0.000 -0.000 -0.000 3/32928 320.0 2.564 2.564 1.920 0.000 -0.000 -0.000 3/32928 330.0 2.488 2.488 1.862 0.000 -0.000 -0.000 3/32928 340.0 2.416 2.416 1.808 0.000 -0.000 -0.000 3/32928 350.0 2.348 2.348 1.757 0.000 -0.000 -0.000 3/32928 360.0 2.284 2.284 1.708 0.000 -0.000 -0.000 3/32928 370.0 2.223 2.223 1.663 0.000 -0.000 -0.000 3/32928 380.0 2.165 2.165 1.619 0.000 -0.000 -0.000 3/32928 390.0 2.111 2.111 1.578 0.000 -0.000 -0.000 3/32928 400.0 2.059 2.059 1.539 0.000 -0.000 -0.000 3/32928 410.0 2.009 2.009 1.502 0.000 -0.000 -0.000 3/32928 420.0 1.962 1.962 1.466 0.000 -0.000 -0.000 3/32928 430.0 1.917 1.917 1.433 0.000 -0.000 -0.000 3/32928 440.0 1.874 1.874 1.400 0.000 -0.000 -0.000 3/32928 450.0 1.833 1.833 1.369 0.000 -0.000 -0.000 3/32928 460.0 1.793 1.793 1.340 0.000 -0.000 -0.000 3/32928 470.0 1.756 1.756 1.312 0.000 -0.000 -0.000 3/32928 480.0 1.719 1.719 1.284 0.000 -0.000 -0.000 3/32928 490.0 1.685 1.685 1.258 0.000 -0.000 -0.000 3/32928 500.0 1.651 1.651 1.233 0.000 -0.000 -0.000 3/32928 510.0 1.619 1.619 1.209 0.000 -0.000 -0.000 3/32928 520.0 1.588 1.588 1.186 0.000 -0.000 -0.000 3/32928 530.0 1.559 1.559 1.164 0.000 -0.000 -0.000 3/32928 540.0 1.530 1.530 1.143 0.000 -0.000 -0.000 3/32928 550.0 1.503 1.503 1.122 0.000 -0.000 -0.000 3/32928 560.0 1.476 1.476 1.102 0.000 -0.000 -0.000 3/32928 570.0 1.450 1.450 1.083 0.000 -0.000 -0.000 3/32928 580.0 1.425 1.425 1.064 0.000 -0.000 -0.000 3/32928 590.0 1.401 1.401 1.046 0.000 -0.000 -0.000 3/32928 600.0 1.378 1.378 1.029 0.000 -0.000 -0.000 3/32928 610.0 1.356 1.356 1.012 0.000 -0.000 -0.000 3/32928 620.0 1.334 1.334 0.996 0.000 -0.000 -0.000 3/32928 630.0 1.313 1.313 0.980 0.000 -0.000 -0.000 3/32928 640.0 1.293 1.293 0.965 0.000 -0.000 -0.000 3/32928 650.0 1.273 1.273 0.950 0.000 -0.000 -0.000 3/32928 660.0 1.254 1.254 0.936 0.000 -0.000 -0.000 3/32928 670.0 1.235 1.235 0.922 0.000 -0.000 -0.000 3/32928 680.0 1.217 1.217 0.908 0.000 -0.000 -0.000 3/32928 690.0 1.200 1.200 0.895 0.000 -0.000 -0.000 3/32928 700.0 1.183 1.183 0.882 0.000 -0.000 -0.000 3/32928 710.0 1.166 1.166 0.870 0.000 -0.000 -0.000 3/32928 720.0 1.150 1.150 0.858 0.000 -0.000 -0.000 3/32928 730.0 1.134 1.134 0.846 0.000 -0.000 -0.000 3/32928 740.0 1.119 1.119 0.835 0.000 -0.000 -0.000 3/32928 750.0 1.104 1.104 0.824 0.000 -0.000 -0.000 3/32928 760.0 1.090 1.090 0.813 0.000 -0.000 -0.000 3/32928 770.0 1.076 1.076 0.803 0.000 -0.000 -0.000 3/32928 780.0 1.062 1.062 0.792 0.000 -0.000 -0.000 3/32928 790.0 1.049 1.049 0.782 0.000 -0.000 -0.000 3/32928 800.0 1.036 1.036 0.773 0.000 -0.000 -0.000 3/32928 810.0 1.023 1.023 0.763 0.000 -0.000 -0.000 3/32928 820.0 1.010 1.010 0.754 0.000 -0.000 -0.000 3/32928 830.0 0.998 0.998 0.745 0.000 -0.000 -0.000 3/32928 840.0 0.986 0.986 0.736 0.000 -0.000 -0.000 3/32928 850.0 0.975 0.975 0.727 0.000 -0.000 -0.000 3/32928 860.0 0.964 0.964 0.719 0.000 -0.000 -0.000 3/32928 870.0 0.953 0.953 0.711 0.000 -0.000 -0.000 3/32928 880.0 0.942 0.942 0.703 0.000 -0.000 -0.000 3/32928 890.0 0.931 0.931 0.695 0.000 -0.000 -0.000 3/32928 900.0 0.921 0.921 0.687 0.000 -0.000 -0.000 3/32928 910.0 0.911 0.911 0.679 0.000 -0.000 -0.000 3/32928 920.0 0.901 0.901 0.672 0.000 -0.000 -0.000 3/32928 930.0 0.891 0.891 0.665 0.000 -0.000 -0.000 3/32928 940.0 0.882 0.882 0.658 0.000 -0.000 -0.000 3/32928 950.0 0.873 0.873 0.651 0.000 -0.000 -0.000 3/32928 960.0 0.864 0.864 0.644 0.000 -0.000 -0.000 3/32928 970.0 0.855 0.855 0.637 0.000 -0.000 -0.000 3/32928 980.0 0.846 0.846 0.631 0.000 -0.000 -0.000 3/32928 990.0 0.838 0.838 0.625 0.000 -0.000 -0.000 3/32928 1000.0 0.829 0.829 0.618 0.000 -0.000 -0.000 3/32928 Thermal conductivity related properties were written into "kappa-m141414.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:17:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|