----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:59:48]------------------------- Compiled with OpenMP support (max 32 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 1.957083291531989 1.129922565192510 6.581535949999994 b -1.957083291531985 1.129922565192510 6.581535949999994 c 0.000000000000002 -2.259845130385024 6.581535949999994 Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *2 S 0.74220949114141 0.74220949114141 0.74220949114141 32.065 3 S 0.25779050885859 0.25779050885859 0.25779050885859 32.065 *4 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.914166583063974 0.000000000000000 0.000000000000000 b -1.957083291531987 3.389767695577534 0.000000000000000 c 0.000000000000000 0.000000000000000 19.744607850000001 Atomic positions (fractional): *1 Na 0.33333333333333 0.66666666666667 0.16666666666667 22.990 > 1 2 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 3 Na 0.66666666666667 0.33333333333333 0.83333333333333 22.990 > 1 *4 S 0.66666666666667 0.33333333333333 0.07554282447474 32.065 > 2 5 S 0.00000000000000 0.00000000000000 0.25779050885859 32.065 > 3 6 S 0.33333333333333 0.66666666666667 0.40887615780808 32.065 > 2 7 S 0.66666666666667 0.33333333333333 0.59112384219192 32.065 > 3 8 S 0.00000000000000 0.00000000000000 0.74220949114141 32.065 > 2 9 S 0.33333333333333 0.66666666666667 0.92445717552526 32.065 > 3 *10 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 4 11 Ho 0.66666666666667 0.33333333333333 0.33333333333333 164.930 > 4 12 Ho 0.33333333333333 0.66666666666667 0.66666666666667 164.930 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.742499749191921 0.000000000000000 0.000000000000000 b -5.871249874595961 10.169303086732603 0.000000000000000 c 0.000000000000000 0.000000000000000 19.744607850000001 Atomic positions (fractional): *1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 *28 S 0.22222222222222 0.11111111111111 0.07554282447474 32.065 > 2 29 S 0.55555555555556 0.11111111111111 0.07554282447474 32.065 > 2 30 S 0.88888888888889 0.11111111111111 0.07554282447474 32.065 > 2 31 S 0.22222222222222 0.44444444444444 0.07554282447474 32.065 > 2 32 S 0.55555555555556 0.44444444444444 0.07554282447474 32.065 > 2 33 S 0.88888888888889 0.44444444444444 0.07554282447474 32.065 > 2 34 S 0.22222222222222 0.77777777777778 0.07554282447474 32.065 > 2 35 S 0.55555555555556 0.77777777777778 0.07554282447474 32.065 > 2 36 S 0.88888888888889 0.77777777777778 0.07554282447474 32.065 > 2 37 S 0.00000000000000 0.00000000000000 0.25779050885859 32.065 > 3 38 S 0.33333333333333 0.00000000000000 0.25779050885859 32.065 > 3 39 S 0.66666666666667 0.00000000000000 0.25779050885859 32.065 > 3 40 S 0.00000000000000 0.33333333333333 0.25779050885859 32.065 > 3 41 S 0.33333333333333 0.33333333333333 0.25779050885859 32.065 > 3 42 S 0.66666666666667 0.33333333333333 0.25779050885859 32.065 > 3 43 S 0.00000000000000 0.66666666666667 0.25779050885859 32.065 > 3 44 S 0.33333333333333 0.66666666666667 0.25779050885859 32.065 > 3 45 S 0.66666666666667 0.66666666666667 0.25779050885859 32.065 > 3 46 S 0.11111111111111 0.22222222222222 0.40887615780808 32.065 > 2 47 S 0.44444444444444 0.22222222222222 0.40887615780808 32.065 > 2 48 S 0.77777777777778 0.22222222222222 0.40887615780808 32.065 > 2 49 S 0.11111111111111 0.55555555555556 0.40887615780808 32.065 > 2 50 S 0.44444444444444 0.55555555555556 0.40887615780808 32.065 > 2 51 S 0.77777777777778 0.55555555555556 0.40887615780808 32.065 > 2 52 S 0.11111111111111 0.88888888888889 0.40887615780808 32.065 > 2 53 S 0.44444444444444 0.88888888888889 0.40887615780808 32.065 > 2 54 S 0.77777777777778 0.88888888888889 0.40887615780808 32.065 > 2 55 S 0.22222222222222 0.11111111111111 0.59112384219192 32.065 > 3 56 S 0.55555555555556 0.11111111111111 0.59112384219192 32.065 > 3 57 S 0.88888888888889 0.11111111111111 0.59112384219192 32.065 > 3 58 S 0.22222222222222 0.44444444444444 0.59112384219192 32.065 > 3 59 S 0.55555555555556 0.44444444444444 0.59112384219192 32.065 > 3 60 S 0.88888888888889 0.44444444444444 0.59112384219192 32.065 > 3 61 S 0.22222222222222 0.77777777777778 0.59112384219192 32.065 > 3 62 S 0.55555555555556 0.77777777777778 0.59112384219192 32.065 > 3 63 S 0.88888888888889 0.77777777777778 0.59112384219192 32.065 > 3 64 S 0.00000000000000 0.00000000000000 0.74220949114141 32.065 > 2 65 S 0.33333333333333 0.00000000000000 0.74220949114141 32.065 > 2 66 S 0.66666666666667 0.00000000000000 0.74220949114141 32.065 > 2 67 S 0.00000000000000 0.33333333333333 0.74220949114141 32.065 > 2 68 S 0.33333333333333 0.33333333333333 0.74220949114141 32.065 > 2 69 S 0.66666666666667 0.33333333333333 0.74220949114141 32.065 > 2 70 S 0.00000000000000 0.66666666666667 0.74220949114141 32.065 > 2 71 S 0.33333333333333 0.66666666666667 0.74220949114141 32.065 > 2 72 S 0.66666666666667 0.66666666666667 0.74220949114141 32.065 > 2 73 S 0.11111111111111 0.22222222222222 0.92445717552526 32.065 > 3 74 S 0.44444444444444 0.22222222222222 0.92445717552526 32.065 > 3 75 S 0.77777777777778 0.22222222222222 0.92445717552526 32.065 > 3 76 S 0.11111111111111 0.55555555555556 0.92445717552526 32.065 > 3 77 S 0.44444444444444 0.55555555555556 0.92445717552526 32.065 > 3 78 S 0.77777777777778 0.55555555555556 0.92445717552526 32.065 > 3 79 S 0.11111111111111 0.88888888888889 0.92445717552526 32.065 > 3 80 S 0.44444444444444 0.88888888888889 0.92445717552526 32.065 > 3 81 S 0.77777777777778 0.88888888888889 0.92445717552526 32.065 > 3 *82 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 4 83 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 4 84 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 4 85 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 4 86 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 4 87 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 4 88 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 4 89 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 4 90 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 4 91 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 4 92 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 4 93 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 4 94 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 4 95 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 4 96 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 4 97 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 4 98 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 4 99 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 4 100 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 4 101 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 4 102 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 4 103 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 4 104 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 4 105 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 4 106 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 4 107 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 4 108 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1471090 -0.0000000 0.0000000 0.0000000 6.1471090 0.0000000 0.0000000 0.0000000 4.4434097 -------------------------- Born effective charges -------------------------- 1 Na 1.0814291 -0.0000000 0.0000000 -0.0000000 1.0814291 0.0000000 0.0000000 0.0000000 1.6388452 2 S -2.7498728 0.0000000 0.0000000 0.0000000 -2.7498728 0.0000000 0.0000000 0.0000000 -1.8008590 3 S -2.7498728 0.0000000 0.0000000 0.0000000 -2.7498728 0.0000000 0.0000000 0.0000000 -1.8008590 4 Ho 4.4183164 -0.0000000 0.0000000 -0.0000000 4.4183164 0.0000000 0.0000000 0.0000000 1.9628729 ---------------------------------------------------------------------------- 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: 194 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): 0.007 Solver_block: 80 / 80 - Time: 0.096 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.104 --------------------------------- 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: 194 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 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:59:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:59:53]------------------------- Compiled with OpenMP support (max 32 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 1.957083291531989 1.129922565192510 6.581535949999994 b -1.957083291531985 1.129922565192510 6.581535949999994 c 0.000000000000002 -2.259845130385024 6.581535949999994 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 S 0.74220949114141 0.74220949114141 0.74220949114141 32.065 3 S 0.25779050885859 0.25779050885859 0.25779050885859 32.065 4 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.742499749191921 0.000000000000000 0.000000000000000 b -5.871249874595961 10.169303086732603 0.000000000000000 c 0.000000000000000 0.000000000000000 19.744607850000001 Atomic positions (fractional): 1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 28 S 0.22222222222222 0.11111111111111 0.07554282447474 32.065 > 28 29 S 0.55555555555556 0.11111111111111 0.07554282447474 32.065 > 28 30 S 0.88888888888889 0.11111111111111 0.07554282447474 32.065 > 28 31 S 0.22222222222222 0.44444444444444 0.07554282447474 32.065 > 28 32 S 0.55555555555556 0.44444444444444 0.07554282447474 32.065 > 28 33 S 0.88888888888889 0.44444444444444 0.07554282447474 32.065 > 28 34 S 0.22222222222222 0.77777777777778 0.07554282447474 32.065 > 28 35 S 0.55555555555556 0.77777777777778 0.07554282447474 32.065 > 28 36 S 0.88888888888889 0.77777777777778 0.07554282447474 32.065 > 28 37 S 0.00000000000000 0.00000000000000 0.25779050885859 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.25779050885859 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.25779050885859 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.25779050885859 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.25779050885859 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.25779050885859 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.25779050885859 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.25779050885859 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.25779050885859 32.065 > 37 46 S 0.11111111111111 0.22222222222222 0.40887615780808 32.065 > 28 47 S 0.44444444444444 0.22222222222222 0.40887615780808 32.065 > 28 48 S 0.77777777777778 0.22222222222222 0.40887615780808 32.065 > 28 49 S 0.11111111111111 0.55555555555556 0.40887615780808 32.065 > 28 50 S 0.44444444444444 0.55555555555556 0.40887615780808 32.065 > 28 51 S 0.77777777777778 0.55555555555556 0.40887615780808 32.065 > 28 52 S 0.11111111111111 0.88888888888889 0.40887615780808 32.065 > 28 53 S 0.44444444444444 0.88888888888889 0.40887615780808 32.065 > 28 54 S 0.77777777777778 0.88888888888889 0.40887615780808 32.065 > 28 55 S 0.22222222222222 0.11111111111111 0.59112384219192 32.065 > 37 56 S 0.55555555555556 0.11111111111111 0.59112384219192 32.065 > 37 57 S 0.88888888888889 0.11111111111111 0.59112384219192 32.065 > 37 58 S 0.22222222222222 0.44444444444444 0.59112384219192 32.065 > 37 59 S 0.55555555555556 0.44444444444444 0.59112384219192 32.065 > 37 60 S 0.88888888888889 0.44444444444444 0.59112384219192 32.065 > 37 61 S 0.22222222222222 0.77777777777778 0.59112384219192 32.065 > 37 62 S 0.55555555555556 0.77777777777778 0.59112384219192 32.065 > 37 63 S 0.88888888888889 0.77777777777778 0.59112384219192 32.065 > 37 64 S 0.00000000000000 0.00000000000000 0.74220949114141 32.065 > 28 65 S 0.33333333333333 0.00000000000000 0.74220949114141 32.065 > 28 66 S 0.66666666666667 0.00000000000000 0.74220949114141 32.065 > 28 67 S 0.00000000000000 0.33333333333333 0.74220949114141 32.065 > 28 68 S 0.33333333333333 0.33333333333333 0.74220949114141 32.065 > 28 69 S 0.66666666666667 0.33333333333333 0.74220949114141 32.065 > 28 70 S 0.00000000000000 0.66666666666667 0.74220949114141 32.065 > 28 71 S 0.33333333333333 0.66666666666667 0.74220949114141 32.065 > 28 72 S 0.66666666666667 0.66666666666667 0.74220949114141 32.065 > 28 73 S 0.11111111111111 0.22222222222222 0.92445717552526 32.065 > 37 74 S 0.44444444444444 0.22222222222222 0.92445717552526 32.065 > 37 75 S 0.77777777777778 0.22222222222222 0.92445717552526 32.065 > 37 76 S 0.11111111111111 0.55555555555556 0.92445717552526 32.065 > 37 77 S 0.44444444444444 0.55555555555556 0.92445717552526 32.065 > 37 78 S 0.77777777777778 0.55555555555556 0.92445717552526 32.065 > 37 79 S 0.11111111111111 0.88888888888889 0.92445717552526 32.065 > 37 80 S 0.44444444444444 0.88888888888889 0.92445717552526 32.065 > 37 81 S 0.77777777777778 0.88888888888889 0.92445717552526 32.065 > 37 82 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 82 83 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 82 84 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 82 85 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 82 86 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 82 87 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 82 88 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 82 89 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 82 90 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 82 91 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 82 92 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 82 93 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 82 94 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 82 95 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 82 96 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 82 97 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 82 98 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 82 99 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 82 100 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 82 101 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 82 102 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 82 103 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 82 104 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 82 105 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 82 106 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 82 107 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 82 108 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1471090 -0.0000000 0.0000000 0.0000000 6.1471090 0.0000000 0.0000000 0.0000000 4.4434097 -------------------------- Born effective charges -------------------------- 1 Na 1.0814291 -0.0000000 0.0000000 -0.0000000 1.0814291 0.0000000 0.0000000 0.0000000 1.6388452 2 S -2.7498728 0.0000000 0.0000000 0.0000000 -2.7498728 0.0000000 0.0000000 0.0000000 -1.8008590 3 S -2.7498728 0.0000000 0.0000000 0.0000000 -2.7498728 0.0000000 0.0000000 0.0000000 -1.8008590 4 Ho 4.4183164 -0.0000000 0.0000000 -0.0000000 4.4183164 0.0000000 0.0000000 0.0000000 1.9628729 ---------------------------------------------------------------------------- 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:59:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:59:59]------------------------- Compiled with OpenMP support (max 32 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 1.957083291531989 1.129922565192510 6.581535949999994 b -1.957083291531985 1.129922565192510 6.581535949999994 c 0.000000000000002 -2.259845130385024 6.581535949999994 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 S 0.74220949114141 0.74220949114141 0.74220949114141 32.065 3 S 0.25779050885859 0.25779050885859 0.25779050885859 32.065 4 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.742499749191921 0.000000000000000 0.000000000000000 b -5.871249874595961 10.169303086732603 0.000000000000000 c 0.000000000000000 0.000000000000000 19.744607850000001 Atomic positions (fractional): 1 Na 0.11111111111111 0.22222222222222 0.16666666666667 22.990 > 1 2 Na 0.44444444444444 0.22222222222222 0.16666666666667 22.990 > 1 3 Na 0.77777777777778 0.22222222222222 0.16666666666667 22.990 > 1 4 Na 0.11111111111111 0.55555555555556 0.16666666666667 22.990 > 1 5 Na 0.44444444444444 0.55555555555556 0.16666666666667 22.990 > 1 6 Na 0.77777777777778 0.55555555555556 0.16666666666667 22.990 > 1 7 Na 0.11111111111111 0.88888888888889 0.16666666666667 22.990 > 1 8 Na 0.44444444444444 0.88888888888889 0.16666666666667 22.990 > 1 9 Na 0.77777777777778 0.88888888888889 0.16666666666667 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 1 11 Na 0.33333333333333 0.00000000000000 0.50000000000000 22.990 > 1 12 Na 0.66666666666667 0.00000000000000 0.50000000000000 22.990 > 1 13 Na 0.00000000000000 0.33333333333333 0.50000000000000 22.990 > 1 14 Na 0.33333333333333 0.33333333333333 0.50000000000000 22.990 > 1 15 Na 0.66666666666667 0.33333333333333 0.50000000000000 22.990 > 1 16 Na 0.00000000000000 0.66666666666667 0.50000000000000 22.990 > 1 17 Na 0.33333333333333 0.66666666666667 0.50000000000000 22.990 > 1 18 Na 0.66666666666667 0.66666666666667 0.50000000000000 22.990 > 1 19 Na 0.22222222222222 0.11111111111111 0.83333333333333 22.990 > 1 20 Na 0.55555555555556 0.11111111111111 0.83333333333333 22.990 > 1 21 Na 0.88888888888889 0.11111111111111 0.83333333333333 22.990 > 1 22 Na 0.22222222222222 0.44444444444444 0.83333333333333 22.990 > 1 23 Na 0.55555555555556 0.44444444444444 0.83333333333333 22.990 > 1 24 Na 0.88888888888889 0.44444444444444 0.83333333333333 22.990 > 1 25 Na 0.22222222222222 0.77777777777778 0.83333333333333 22.990 > 1 26 Na 0.55555555555556 0.77777777777778 0.83333333333333 22.990 > 1 27 Na 0.88888888888889 0.77777777777778 0.83333333333333 22.990 > 1 28 S 0.22222222222222 0.11111111111111 0.07554282447474 32.065 > 28 29 S 0.55555555555556 0.11111111111111 0.07554282447474 32.065 > 28 30 S 0.88888888888889 0.11111111111111 0.07554282447474 32.065 > 28 31 S 0.22222222222222 0.44444444444444 0.07554282447474 32.065 > 28 32 S 0.55555555555556 0.44444444444444 0.07554282447474 32.065 > 28 33 S 0.88888888888889 0.44444444444444 0.07554282447474 32.065 > 28 34 S 0.22222222222222 0.77777777777778 0.07554282447474 32.065 > 28 35 S 0.55555555555556 0.77777777777778 0.07554282447474 32.065 > 28 36 S 0.88888888888889 0.77777777777778 0.07554282447474 32.065 > 28 37 S 0.00000000000000 0.00000000000000 0.25779050885859 32.065 > 37 38 S 0.33333333333333 0.00000000000000 0.25779050885859 32.065 > 37 39 S 0.66666666666667 0.00000000000000 0.25779050885859 32.065 > 37 40 S 0.00000000000000 0.33333333333333 0.25779050885859 32.065 > 37 41 S 0.33333333333333 0.33333333333333 0.25779050885859 32.065 > 37 42 S 0.66666666666667 0.33333333333333 0.25779050885859 32.065 > 37 43 S 0.00000000000000 0.66666666666667 0.25779050885859 32.065 > 37 44 S 0.33333333333333 0.66666666666667 0.25779050885859 32.065 > 37 45 S 0.66666666666667 0.66666666666667 0.25779050885859 32.065 > 37 46 S 0.11111111111111 0.22222222222222 0.40887615780808 32.065 > 28 47 S 0.44444444444444 0.22222222222222 0.40887615780808 32.065 > 28 48 S 0.77777777777778 0.22222222222222 0.40887615780808 32.065 > 28 49 S 0.11111111111111 0.55555555555556 0.40887615780808 32.065 > 28 50 S 0.44444444444444 0.55555555555556 0.40887615780808 32.065 > 28 51 S 0.77777777777778 0.55555555555556 0.40887615780808 32.065 > 28 52 S 0.11111111111111 0.88888888888889 0.40887615780808 32.065 > 28 53 S 0.44444444444444 0.88888888888889 0.40887615780808 32.065 > 28 54 S 0.77777777777778 0.88888888888889 0.40887615780808 32.065 > 28 55 S 0.22222222222222 0.11111111111111 0.59112384219192 32.065 > 37 56 S 0.55555555555556 0.11111111111111 0.59112384219192 32.065 > 37 57 S 0.88888888888889 0.11111111111111 0.59112384219192 32.065 > 37 58 S 0.22222222222222 0.44444444444444 0.59112384219192 32.065 > 37 59 S 0.55555555555556 0.44444444444444 0.59112384219192 32.065 > 37 60 S 0.88888888888889 0.44444444444444 0.59112384219192 32.065 > 37 61 S 0.22222222222222 0.77777777777778 0.59112384219192 32.065 > 37 62 S 0.55555555555556 0.77777777777778 0.59112384219192 32.065 > 37 63 S 0.88888888888889 0.77777777777778 0.59112384219192 32.065 > 37 64 S 0.00000000000000 0.00000000000000 0.74220949114141 32.065 > 28 65 S 0.33333333333333 0.00000000000000 0.74220949114141 32.065 > 28 66 S 0.66666666666667 0.00000000000000 0.74220949114141 32.065 > 28 67 S 0.00000000000000 0.33333333333333 0.74220949114141 32.065 > 28 68 S 0.33333333333333 0.33333333333333 0.74220949114141 32.065 > 28 69 S 0.66666666666667 0.33333333333333 0.74220949114141 32.065 > 28 70 S 0.00000000000000 0.66666666666667 0.74220949114141 32.065 > 28 71 S 0.33333333333333 0.66666666666667 0.74220949114141 32.065 > 28 72 S 0.66666666666667 0.66666666666667 0.74220949114141 32.065 > 28 73 S 0.11111111111111 0.22222222222222 0.92445717552526 32.065 > 37 74 S 0.44444444444444 0.22222222222222 0.92445717552526 32.065 > 37 75 S 0.77777777777778 0.22222222222222 0.92445717552526 32.065 > 37 76 S 0.11111111111111 0.55555555555556 0.92445717552526 32.065 > 37 77 S 0.44444444444444 0.55555555555556 0.92445717552526 32.065 > 37 78 S 0.77777777777778 0.55555555555556 0.92445717552526 32.065 > 37 79 S 0.11111111111111 0.88888888888889 0.92445717552526 32.065 > 37 80 S 0.44444444444444 0.88888888888889 0.92445717552526 32.065 > 37 81 S 0.77777777777778 0.88888888888889 0.92445717552526 32.065 > 37 82 Ho 0.00000000000000 0.00000000000000 0.00000000000000 164.930 > 82 83 Ho 0.33333333333333 0.00000000000000 0.00000000000000 164.930 > 82 84 Ho 0.66666666666667 0.00000000000000 0.00000000000000 164.930 > 82 85 Ho 0.00000000000000 0.33333333333333 0.00000000000000 164.930 > 82 86 Ho 0.33333333333333 0.33333333333333 0.00000000000000 164.930 > 82 87 Ho 0.66666666666667 0.33333333333333 0.00000000000000 164.930 > 82 88 Ho 0.00000000000000 0.66666666666667 0.00000000000000 164.930 > 82 89 Ho 0.33333333333333 0.66666666666667 0.00000000000000 164.930 > 82 90 Ho 0.66666666666667 0.66666666666667 0.00000000000000 164.930 > 82 91 Ho 0.22222222222222 0.11111111111111 0.33333333333333 164.930 > 82 92 Ho 0.55555555555556 0.11111111111111 0.33333333333333 164.930 > 82 93 Ho 0.88888888888889 0.11111111111111 0.33333333333333 164.930 > 82 94 Ho 0.22222222222222 0.44444444444444 0.33333333333333 164.930 > 82 95 Ho 0.55555555555556 0.44444444444444 0.33333333333333 164.930 > 82 96 Ho 0.88888888888889 0.44444444444444 0.33333333333333 164.930 > 82 97 Ho 0.22222222222222 0.77777777777778 0.33333333333333 164.930 > 82 98 Ho 0.55555555555556 0.77777777777778 0.33333333333333 164.930 > 82 99 Ho 0.88888888888889 0.77777777777778 0.33333333333333 164.930 > 82 100 Ho 0.11111111111111 0.22222222222222 0.66666666666667 164.930 > 82 101 Ho 0.44444444444444 0.22222222222222 0.66666666666667 164.930 > 82 102 Ho 0.77777777777778 0.22222222222222 0.66666666666667 164.930 > 82 103 Ho 0.11111111111111 0.55555555555556 0.66666666666667 164.930 > 82 104 Ho 0.44444444444444 0.55555555555556 0.66666666666667 164.930 > 82 105 Ho 0.77777777777778 0.55555555555556 0.66666666666667 164.930 > 82 106 Ho 0.11111111111111 0.88888888888889 0.66666666666667 164.930 > 82 107 Ho 0.44444444444444 0.88888888888889 0.66666666666667 164.930 > 82 108 Ho 0.77777777777778 0.88888888888889 0.66666666666667 164.930 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1471090 -0.0000000 0.0000000 0.0000000 6.1471090 0.0000000 0.0000000 0.0000000 4.4434097 -------------------------- Born effective charges -------------------------- 1 Na 1.0814291 -0.0000000 0.0000000 -0.0000000 1.0814291 0.0000000 0.0000000 0.0000000 1.6388452 2 S -2.7498728 0.0000000 0.0000000 0.0000000 -2.7498728 0.0000000 0.0000000 0.0000000 -1.8008590 3 S -2.7498728 0.0000000 0.0000000 0.0000000 -2.7498728 0.0000000 0.0000000 0.0000000 -1.8008590 4 Ho 4.4183164 -0.0000000 0.0000000 -0.0000000 4.4183164 0.0000000 0.0000000 0.0000000 1.9628729 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] 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: 0.94, Number of G-points: 325, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 8.292 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 21.371 12.339 0.963) 24.696 0.498 ( 21.824 12.600 0.067) 25.200 0.953 ( 40.038 23.116 7.224) 46.793 3.617 ( 0.738 0.426 0.011) 0.853 3.693 ( 4.385 2.532 -1.139) 5.190 5.533 ( -2.596 -1.499 1.779) 3.486 5.667 ( 2.273 1.312 1.841) 3.206 6.609 ( -0.963 -0.556 -0.869) 1.411 6.642 ( 1.279 0.738 0.164) 1.486 7.189 ( 0.281 0.162 -11.155) 11.160 8.253 ( -3.539 -2.043 1.141) 4.243 9.150 ( -2.147 -1.240 -3.346) 4.165 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 21.037 12.146 0.461) 24.296 0.986 ( 21.162 12.218 -1.306) 24.471 1.844 ( 36.203 20.902 3.749) 41.972 3.642 ( 1.466 0.847 0.058) 1.694 3.835 ( 8.300 4.792 -0.391) 9.592 5.457 ( -4.733 -2.732 2.795) 6.138 5.749 ( 3.938 2.273 3.493) 5.734 6.580 ( -1.003 -0.579 -1.881) 2.209 6.645 ( -1.974 -1.140 0.924) 2.460 7.186 ( 2.836 1.638 -6.079) 6.905 8.145 ( -6.225 -3.594 1.843) 7.421 9.054 ( -5.021 -2.899 -5.444) 7.952 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 18.965 10.949 -3.079) 22.114 1.439 ( 19.584 11.307 -0.299) 22.616 2.592 ( 28.744 16.596 -1.508) 33.225 3.683 ( 2.115 1.221 0.160) 2.448 4.071 ( 12.262 7.079 2.379) 14.357 5.341 ( -6.430 -3.712 4.101) 8.482 5.860 ( 4.384 2.531 4.770) 6.956 6.562 ( -4.903 -2.831 1.427) 5.839 6.563 ( 0.491 0.283 -2.980) 3.033 7.275 ( 5.237 3.023 -1.962) 6.357 7.991 ( -7.717 -4.455 2.207) 9.180 8.889 ( -6.994 -4.038 -9.317) 12.330 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 14.605 8.432 -4.667) 17.499 1.849 ( 16.531 9.544 -1.101) 19.120 3.129 ( 19.846 11.458 -4.708) 23.394 3.737 ( 2.501 1.444 0.289) 2.902 4.395 ( 14.528 8.388 4.127) 17.276 5.198 ( -7.478 -4.317 5.669) 10.329 5.969 ( 3.533 2.040 5.213) 6.620 6.473 ( -2.701 -1.559 2.355) 3.908 6.591 ( 3.095 1.787 -3.611) 5.080 7.359 ( 1.644 0.949 -0.944) 2.120 7.816 ( -8.490 -4.902 2.801) 10.196 8.703 ( -5.331 -3.078 -11.699) 13.220 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 8.763 5.059 -5.130) 11.345 2.172 ( 12.176 7.030 -1.555) 14.146 3.498 ( 14.541 8.395 -2.898) 17.039 3.795 ( 2.383 1.376 0.353) 2.774 4.708 ( 11.132 6.427 1.526) 12.944 5.047 ( -7.433 -4.291 6.887) 11.005 6.052 ( 2.402 1.387 4.374) 5.179 6.476 ( 2.266 1.308 3.045) 4.015 6.673 ( 4.819 2.782 -3.153) 6.395 7.325 ( -3.675 -2.122 -3.150) 5.285 7.609 ( -10.669 -6.160 1.230) 12.381 8.609 ( 0.390 0.225 -8.298) 8.310 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 3.690 2.130 -3.797) 5.707 2.389 ( 7.295 4.212 -1.346) 8.530 3.792 ( 11.753 6.785 0.176) 13.572 3.843 ( 1.687 0.974 0.277) 1.968 4.852 ( -1.799 -1.038 1.127) 2.363 4.946 ( 0.139 0.080 3.210) 3.214 6.109 ( 1.544 0.891 2.728) 3.259 6.591 ( 6.686 3.860 2.758) 8.198 6.771 ( 4.199 2.424 -1.972) 5.234 7.209 ( -5.007 -2.891 -2.050) 6.134 7.346 ( -11.602 -6.698 -3.248) 13.785 8.642 ( 3.186 1.840 -2.982) 4.736 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 0.851 0.491 -1.341) 1.662 2.496 ( 2.412 1.392 -0.527) 2.834 3.870 ( 0.603 0.348 0.101) 0.704 4.006 ( 5.815 3.357 0.775) 6.759 4.755 ( -3.832 -2.213 1.605) 4.707 4.989 ( 1.176 0.679 -0.647) 1.504 6.139 ( 0.566 0.327 0.907) 1.118 6.776 ( 8.141 4.700 1.358) 9.498 6.836 ( 1.636 0.945 -0.652) 1.998 7.060 ( -9.480 -5.473 2.568) 11.244 7.143 ( -2.319 -1.339 -5.508) 6.124 8.696 ( 1.556 0.898 -0.525) 1.872 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 0.000 23.712 9.146) 25.415 0.543 ( 0.000 24.699 7.871) 25.923 0.953 ( 0.000 45.130 7.540) 45.755 3.615 ( -0.000 0.769 -0.452) 0.892 3.695 ( -0.000 5.394 -0.769) 5.448 5.527 ( 0.000 -3.760 0.628) 3.812 5.638 ( -0.000 1.441 -3.791) 4.055 6.625 ( 0.000 -0.448 2.263) 2.307 6.639 ( -0.000 1.234 -0.553) 1.352 7.134 ( -0.000 4.413 -20.467) 20.937 8.258 ( 0.000 -4.160 2.165) 4.690 9.154 ( -0.000 -0.847 -2.444) 2.586 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 8.951 20.789 6.506) 23.550 0.936 ( 10.579 22.989 3.078) 25.492 1.625 ( 22.256 36.266 5.920) 42.960 3.636 ( 1.260 1.652 -0.322) 2.103 3.783 ( 3.662 7.055 -0.716) 7.981 5.467 ( -1.599 -5.823 1.744) 6.285 5.706 ( 5.496 2.419 -2.274) 6.421 6.596 ( -2.157 -0.408 0.649) 2.289 6.655 ( -0.041 -0.844 0.586) 1.028 7.130 ( 2.208 2.844 -12.647) 13.149 8.188 ( -3.265 -5.808 2.702) 7.190 9.094 ( -4.227 -2.349 -2.963) 5.671 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 14.615 17.106 2.165) 22.603 1.348 ( 12.226 19.421 0.696) 22.959 2.350 ( 23.318 26.939 0.703) 35.636 3.683 ( 1.301 3.344 -0.144) 3.591 3.965 ( 9.104 8.160 1.353) 12.300 5.374 ( -2.824 -7.151 3.089) 8.285 5.832 ( 5.513 4.070 0.570) 6.876 6.560 ( -1.255 -0.627 -1.453) 2.019 6.609 ( -3.154 -2.657 1.499) 4.388 7.198 ( 5.467 3.843 -6.560) 9.364 8.058 ( -5.529 -6.703 2.825) 9.136 8.946 ( -7.508 -3.782 -6.451) 10.597 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 14.043 13.401 -2.174) 19.532 1.731 ( 12.246 15.890 0.044) 20.061 2.921 ( 18.497 17.718 -4.084) 25.937 3.743 ( 1.092 4.810 -0.207) 4.936 4.260 ( 13.335 9.702 4.260) 17.032 5.253 ( -4.126 -7.687 4.464) 9.800 5.966 ( 3.953 4.920 3.071) 7.019 6.508 ( -2.181 -2.821 0.127) 3.568 6.572 ( -0.263 2.449 -1.035) 2.672 7.310 ( 4.829 1.781 -3.100) 6.009 7.897 ( -6.556 -6.895 3.410) 10.107 8.738 ( -7.958 -4.147 -10.272) 13.639 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 9.750 8.126 -4.733) 13.546 2.077 ( 10.710 13.920 -0.530) 17.571 3.318 ( 14.405 10.139 -3.878) 18.038 3.814 ( 0.973 6.470 -0.343) 6.552 4.593 ( 12.072 8.791 3.248) 15.283 5.118 ( -4.911 -7.483 5.955) 10.750 6.077 ( 1.666 5.227 4.470) 7.077 6.478 ( 0.116 0.643 1.692) 1.814 6.622 ( 2.985 3.821 -2.939) 5.670 7.337 ( -0.763 -1.491 -4.079) 4.410 7.717 ( -8.499 -7.279 3.621) 11.761 8.573 ( -2.165 -2.411 -9.905) 10.422 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 5.598 3.932 -4.474) 8.174 2.349 ( 6.421 11.788 -1.192) 13.476 3.600 ( 11.733 3.027 -0.973) 12.156 3.909 ( 1.208 10.218 -0.673) 10.311 4.824 ( 5.694 4.599 -0.523) 7.338 4.987 ( -4.420 -6.254 6.944) 10.338 6.158 ( -0.475 6.268 4.139) 7.526 6.541 ( 4.167 3.335 1.672) 5.593 6.712 ( 4.152 3.093 -2.740) 5.858 7.254 ( -3.859 -1.781 -5.200) 6.716 7.473 ( -11.971 -7.817 0.680) 14.314 8.561 ( 4.515 -1.044 -4.623) 6.546 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 2.454 1.601 -2.730) 4.005 2.516 ( 1.411 9.348 -0.827) 9.490 3.754 ( 6.847 -3.201 -0.110) 7.559 4.057 ( 1.903 13.302 -1.375) 13.507 4.809 ( -5.049 -3.747 1.123) 6.387 4.968 ( 2.099 -0.187 2.982) 3.651 6.209 ( -2.754 7.220 2.588) 8.150 6.685 ( 7.478 4.016 0.286) 8.493 6.790 ( 3.502 0.655 -1.010) 3.704 7.166 ( -4.448 -1.876 -7.674) 9.066 7.197 ( -10.320 -4.008 3.532) 11.621 8.628 ( 5.133 -1.992 -1.351) 5.669 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.565 0.385 -0.461) 0.824 2.575 ( -3.547 6.668 0.175) 7.555 3.790 ( 3.040 -5.500 -0.946) 6.355 4.150 ( -5.091 9.131 -3.760) 11.110 4.724 ( -0.179 -1.074 -0.245) 1.116 4.998 ( 0.359 -0.850 4.241) 4.341 6.220 ( -4.689 6.845 0.591) 8.318 6.800 ( 2.403 -1.828 -0.313) 3.035 6.851 ( -1.487 -1.595 -0.883) 2.353 6.986 ( 0.773 1.706 -2.751) 3.328 7.167 ( -0.852 2.929 3.528) 4.664 8.664 ( 2.535 -3.891 -0.385) 4.660 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -1.345 -1.003 1.775) 2.442 2.526 ( -8.494 3.649 1.225) 9.326 3.744 ( -0.377 -7.900 -2.124) 8.189 4.049 ( -11.342 5.255 -2.884) 12.828 4.782 ( 5.468 2.233 -3.508) 6.869 4.981 ( -3.181 -1.886 4.792) 6.053 6.188 ( -5.757 5.142 -1.442) 7.852 6.671 ( -8.140 -3.888 -2.399) 9.335 6.801 ( -1.123 -2.250 0.961) 2.692 7.161 ( 7.075 6.953 -2.794) 10.306 7.246 ( 6.366 2.946 7.487) 10.260 8.640 ( 0.282 -5.084 0.996) 5.188 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -5.200 -3.069 3.409) 6.934 2.364 ( -13.453 0.170 1.749) 13.568 3.599 ( -6.451 -8.544 -1.113) 10.764 3.911 ( -9.128 4.332 -0.366) 10.110 4.832 ( -7.666 -2.512 0.603) 8.090 4.927 ( 5.501 0.571 -4.252) 6.977 6.120 ( -5.830 3.017 -3.162) 7.286 6.518 ( -5.429 -1.121 -2.760) 6.192 6.738 ( -4.212 -1.827 2.279) 5.126 7.292 ( 3.900 3.283 2.087) 5.508 7.473 ( 11.303 4.548 1.012) 12.226 8.610 ( 1.166 -3.689 4.832) 6.190 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -11.576 -5.104 3.902) 13.239 2.086 ( -17.740 -3.042 1.305) 18.046 3.351 ( -14.088 -7.453 2.539) 16.139 3.816 ( -6.334 2.753 0.010) 6.907 4.566 ( -15.504 -6.312 -1.955) 16.853 5.060 ( 8.995 1.376 -5.280) 10.521 6.033 ( -5.709 1.685 -4.107) 7.232 6.456 ( -0.639 1.187 -2.448) 2.794 6.653 ( -4.562 -1.249 3.000) 5.600 7.360 ( 0.916 -0.003 0.509) 1.048 7.690 ( 9.879 3.159 -1.533) 10.484 8.669 ( 5.300 0.296 8.801) 10.278 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -19.821 -7.077 2.676) 21.216 1.736 ( -19.419 -3.428 1.019) 19.746 2.957 ( -25.395 -7.935 2.882) 26.762 3.743 ( -4.837 1.673 -0.119) 5.120 4.226 ( -14.833 -6.072 -2.492) 16.220 5.210 ( 9.004 0.632 -3.900) 9.832 5.930 ( -6.244 0.896 -3.921) 7.427 6.498 ( 4.085 1.945 -1.560) 4.786 6.592 ( -2.457 -0.497 2.730) 3.706 7.323 ( -3.278 -2.265 -0.470) 4.012 7.874 ( 9.181 2.407 -1.272) 9.576 8.832 ( 7.608 2.569 7.916) 11.276 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -23.114 -6.242 0.912) 23.959 1.350 ( -23.163 -2.131 0.941) 23.279 2.345 ( -37.289 -7.406 -0.063) 38.017 3.683 ( -3.522 0.659 -0.152) 3.587 3.957 ( -10.686 -3.168 -0.393) 11.152 5.346 ( 7.777 -0.116 -2.132) 8.064 5.817 ( -6.187 0.264 -2.439) 6.656 6.577 ( -0.011 -0.112 1.652) 1.656 6.595 ( 4.897 1.233 -0.804) 5.113 7.237 ( -3.737 -1.425 0.865) 4.091 8.040 ( 8.309 1.523 -0.785) 8.484 9.000 ( 6.565 1.905 3.981) 7.911 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -23.873 -0.000 0.000) 23.873 0.920 ( -25.961 -0.000 0.000) 25.961 1.594 ( -44.441 -0.000 0.000) 44.441 3.638 ( -2.006 -0.000 0.000) 2.006 3.787 ( -7.653 -0.000 0.000) 7.653 5.457 ( 5.814 0.000 -0.000) 5.814 5.718 ( -4.761 -0.000 0.000) 4.761 6.592 ( 1.210 0.000 -0.000) 1.210 6.652 ( 0.886 0.000 -0.000) 0.886 7.197 ( -0.331 -0.000 0.000) 0.331 8.174 ( 6.461 0.000 -0.000) 6.461 9.109 ( 4.351 0.000 -0.000) 4.351 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.000 23.011 7.253) 24.127 1.070 ( 0.000 23.746 6.311) 24.571 1.859 ( 0.000 41.970 5.262) 42.299 3.633 ( -0.000 1.515 -0.811) 1.718 3.837 ( -0.000 9.238 -0.407) 9.246 5.427 ( 0.000 -6.598 0.294) 6.605 5.650 ( -0.000 3.254 -5.517) 6.404 6.623 ( -0.000 -3.056 -1.183) 3.277 6.637 ( 0.000 -0.267 3.302) 3.312 7.102 ( -0.000 4.758 -12.879) 13.730 8.159 ( 0.000 -7.583 3.031) 8.166 9.104 ( -0.000 -3.059 -1.111) 3.254 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 3.559 22.518 5.986) 23.571 1.392 ( 6.962 20.752 3.214) 22.124 2.367 ( 10.746 34.898 1.763) 36.558 3.676 ( 2.919 2.623 -0.515) 3.958 3.957 ( 3.041 10.804 0.483) 11.234 5.341 ( -1.539 -7.995 1.546) 8.287 5.742 ( 7.326 3.955 -4.288) 9.365 6.561 ( -1.498 -4.502 -1.392) 4.945 6.637 ( -1.232 -0.146 2.815) 3.077 7.141 ( 2.978 5.362 -9.271) 11.116 8.064 ( -2.794 -8.534 2.897) 9.435 9.014 ( -5.779 -3.807 -2.681) 7.422 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 6.762 18.615 1.698) 19.877 1.725 ( 8.973 18.211 1.990) 20.399 2.851 ( 11.626 23.611 -3.250) 26.518 3.765 ( 2.821 4.885 -0.485) 5.662 4.180 ( 9.233 12.429 3.084) 15.787 5.234 ( -2.157 -8.998 3.073) 9.749 5.914 ( 8.072 4.915 -1.266) 9.535 6.490 ( -0.678 -4.126 -1.490) 4.439 6.627 ( -1.791 2.568 1.938) 3.682 7.229 ( 4.764 2.952 -5.890) 8.131 7.925 ( -4.447 -8.602 3.059) 10.155 8.824 ( -9.569 -4.199 -5.975) 12.038 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 6.419 11.454 -2.523) 13.370 2.070 ( 9.214 18.115 1.591) 20.386 3.205 ( 10.541 13.452 -3.913) 17.532 3.861 ( 1.990 7.228 -0.883) 7.549 4.501 ( 11.344 11.921 3.119) 16.749 5.115 ( -2.665 -9.007 4.372) 10.360 6.084 ( 5.408 5.358 2.346) 7.966 6.466 ( 1.475 -0.702 -1.480) 2.204 6.649 ( -0.631 5.458 0.109) 5.495 7.289 ( 2.584 -1.095 -5.347) 6.039 7.772 ( -5.363 -8.186 4.201) 10.650 8.600 ( -8.105 -3.531 -7.951) 11.890 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 4.968 6.248 -3.659) 8.781 2.383 ( 6.373 16.939 0.266) 18.100 3.461 ( 9.312 5.922 -0.918) 11.074 3.979 ( 2.499 10.273 -0.984) 10.618 4.769 ( 7.296 7.697 -0.150) 10.606 4.999 ( -3.014 -8.023 5.320) 10.087 6.220 ( 2.923 5.928 4.606) 8.056 6.515 ( 3.294 2.898 -1.657) 4.690 6.707 ( 0.453 6.172 -1.470) 6.360 7.256 ( -1.107 -2.644 -6.652) 7.244 7.588 ( -9.158 -7.810 3.446) 12.519 8.475 ( 0.207 -2.617 -5.136) 5.768 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 3.077 3.204 -2.968) 5.343 2.611 ( 1.785 15.046 -0.302) 15.155 3.626 ( 6.390 0.183 0.582) 6.419 4.144 ( 3.243 13.252 -1.013) 13.680 4.858 ( -4.033 -1.545 -0.809) 4.394 4.925 ( 2.939 -2.535 3.741) 5.391 6.334 ( 0.342 7.975 4.267) 9.051 6.614 ( 4.979 3.965 -2.251) 6.751 6.758 ( 0.671 2.874 -1.183) 3.179 7.187 ( -2.259 -0.887 -7.098) 7.501 7.349 ( -10.989 -4.901 2.844) 12.364 8.495 ( 5.646 -3.773 -1.441) 6.942 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 1.368 1.525 -1.516) 2.548 2.734 ( -3.342 12.658 0.229) 13.093 3.689 ( 3.086 -3.284 -0.580) 4.544 4.299 ( -1.119 12.532 -3.838) 13.155 4.737 ( -4.014 -3.411 -0.203) 5.271 4.977 ( 2.868 -1.469 4.786) 5.770 6.397 ( -4.555 9.114 1.591) 10.313 6.722 ( 4.590 0.679 -2.307) 5.182 6.807 ( 3.971 0.603 0.845) 4.104 7.054 ( -7.885 -0.942 -4.158) 8.964 7.238 ( -2.614 2.742 2.498) 4.538 8.542 ( 5.250 -6.014 -0.510) 7.999 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -0.155 0.195 0.041) 0.252 2.745 ( -8.603 9.570 1.284) 12.932 3.669 ( 0.365 -5.457 -2.604) 6.058 4.272 ( -9.865 6.278 -5.842) 13.072 4.716 ( 2.875 0.838 -1.461) 3.332 5.018 ( 0.246 -1.019 7.415) 7.489 6.363 ( -7.690 5.806 -1.454) 9.745 6.763 ( -3.795 -2.436 0.569) 4.546 6.786 ( -0.957 0.126 -0.429) 1.057 7.077 ( 7.573 6.622 -1.607) 10.187 7.255 ( -0.347 2.919 3.881) 4.869 8.545 ( 3.335 -7.614 -0.280) 8.317 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -2.479 -1.283 1.310) 3.084 2.634 ( -13.878 5.491 1.888) 15.043 3.585 ( -2.126 -5.970 -3.236) 7.116 4.123 ( -10.533 3.940 -2.737) 11.574 4.795 ( 5.323 1.581 -3.633) 6.636 4.983 ( -6.433 -1.572 5.732) 8.758 6.259 ( -7.661 2.118 -2.713) 8.398 6.624 ( -7.771 0.440 -1.161) 7.870 6.797 ( -2.311 1.580 2.219) 3.572 7.270 ( 4.783 5.088 -2.356) 7.370 7.336 ( 8.011 1.815 4.717) 9.472 8.527 ( 3.565 -6.603 1.580) 7.668 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -6.781 -2.409 1.821) 7.423 2.395 ( -18.506 1.338 1.452) 18.611 3.460 ( -5.925 -4.629 -1.017) 7.587 3.987 ( -9.069 3.219 -0.351) 9.630 4.783 ( -14.512 -2.472 0.814) 14.744 4.910 ( 7.241 0.183 -2.737) 7.743 6.144 ( -6.408 1.029 -2.608) 6.994 6.516 ( -5.359 1.640 -1.423) 5.782 6.746 ( -5.670 1.143 2.116) 6.159 7.341 ( 1.783 0.634 0.435) 1.941 7.536 ( 10.523 1.858 -0.421) 10.694 8.577 ( 6.776 -2.544 4.319) 8.429 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -13.570 -2.309 1.449) 13.841 2.058 ( -20.954 -0.707 0.445) 20.970 3.259 ( -14.532 -2.856 0.987) 14.843 3.872 ( -7.495 1.996 0.178) 7.758 4.458 ( -18.485 -3.037 -0.891) 18.754 5.046 ( 9.019 0.108 -2.020) 9.243 6.041 ( -6.225 0.886 -1.752) 6.528 6.473 ( -0.456 1.140 -0.988) 1.576 6.662 ( -5.152 0.191 1.440) 5.353 7.343 ( -1.180 -0.988 -0.459) 1.606 7.722 ( 10.039 0.928 -0.501) 10.094 8.724 ( 9.089 0.384 3.768) 9.847 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -22.203 -0.000 0.000) 22.203 1.708 ( -19.976 -0.000 0.000) 19.976 2.884 ( -28.082 -0.000 0.000) 28.082 3.768 ( -5.820 -0.000 0.000) 5.820 4.150 ( -14.603 -0.000 0.000) 14.603 5.197 ( 8.948 0.000 -0.000) 8.948 5.930 ( -6.921 -0.000 0.000) 6.921 6.514 ( 4.339 0.000 -0.000) 4.339 6.599 ( -2.436 -0.000 0.000) 2.436 7.294 ( -3.445 -0.000 0.000) 3.445 7.893 ( 9.485 0.000 -0.000) 9.485 8.887 ( 8.468 0.000 -0.000) 8.468 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.000 21.112 4.657) 21.620 1.547 ( 0.000 20.735 3.841) 21.088 2.638 ( 0.000 33.961 0.765) 33.969 3.663 ( -0.000 2.179 -1.037) 2.413 4.056 ( 0.000 13.261 1.152) 13.311 5.276 ( 0.000 -8.944 0.834) 8.983 5.702 ( -0.000 5.588 -4.295) 7.048 6.512 ( -0.000 -6.267 -1.485) 6.440 6.660 ( 0.000 0.526 2.620) 2.672 7.142 ( -0.000 5.825 -8.835) 10.583 8.007 ( 0.000 -9.475 2.533) 9.808 9.020 ( -0.000 -4.442 -1.688) 4.752 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 1.185 17.871 1.949) 18.016 1.791 ( 5.584 19.024 3.037) 20.057 2.962 ( 3.090 24.747 -3.121) 25.133 3.730 ( 4.808 3.172 -0.843) 5.821 4.230 ( 3.016 16.225 2.843) 16.746 5.178 ( -1.099 -9.537 2.076) 9.822 5.819 ( 7.277 6.389 -2.364) 9.968 6.446 ( -0.120 -4.993 -1.048) 5.103 6.673 ( -0.263 1.631 1.717) 2.383 7.183 ( 1.948 3.751 -7.288) 8.424 7.902 ( -2.193 -9.407 2.328) 9.935 8.910 ( -6.482 -4.664 -3.116) 8.572 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 1.891 11.743 -1.311) 11.967 2.114 ( 8.396 18.992 2.750) 20.946 3.202 ( 4.554 14.467 -4.159) 15.727 3.857 ( 5.378 4.809 -1.186) 7.312 4.491 ( 6.629 16.335 2.636) 17.825 5.073 ( -1.488 -8.906 3.557) 9.704 6.023 ( 8.464 6.528 0.828) 10.721 6.420 ( 1.653 -1.533 -1.426) 2.668 6.704 ( 0.513 3.896 0.559) 3.969 7.216 ( 2.194 -0.301 -6.574) 6.937 7.774 ( -3.269 -8.583 3.071) 9.685 8.705 ( -10.078 -4.094 -4.821) 11.899 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 2.511 7.184 -2.697) 8.074 2.446 ( 7.637 18.285 1.745) 19.892 3.390 ( 6.223 7.150 -1.168) 9.551 4.000 ( 5.298 7.176 -1.093) 8.986 4.739 ( 5.715 9.454 -0.844) 11.079 4.985 ( -1.957 -5.394 4.503) 7.294 6.212 ( 5.603 5.245 4.288) 8.791 6.469 ( 4.016 2.756 -3.164) 5.808 6.770 ( 0.826 6.494 -0.815) 6.597 7.199 ( 0.999 -3.493 -7.067) 7.946 7.641 ( -4.729 -7.714 3.853) 9.835 8.495 ( -7.385 -2.956 -4.187) 8.990 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 2.447 4.272 -2.514) 5.528 2.727 ( 4.007 17.213 0.711) 17.688 3.539 ( 5.595 1.841 1.476) 6.072 4.181 ( 6.297 10.029 -0.088) 11.842 4.843 ( 3.632 -3.563 0.759) 5.144 4.928 ( -4.408 2.497 -0.507) 5.091 6.359 ( 4.639 4.712 4.818) 8.181 6.566 ( 4.238 4.050 -3.508) 6.831 6.822 ( -2.236 5.717 -1.930) 6.435 7.164 ( 1.362 -1.206 -6.706) 6.949 7.475 ( -8.108 -5.640 2.962) 10.311 8.395 ( 0.164 -3.501 -1.071) 3.665 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 1.600 2.484 -1.616) 3.367 2.917 ( -1.002 15.461 0.520) 15.502 3.617 ( 2.853 -1.860 1.111) 3.582 4.391 ( 4.403 11.961 -0.671) 12.763 4.792 ( -5.648 -3.843 0.727) 6.870 4.907 ( 2.982 -1.378 -0.579) 3.336 6.493 ( 2.990 5.308 1.718) 6.330 6.656 ( 3.826 1.312 -1.287) 4.245 6.799 ( -2.507 1.932 -1.626) 3.558 7.160 ( -3.095 3.848 -4.986) 7.018 7.322 ( -5.107 -0.483 2.658) 5.778 8.392 ( 4.156 -6.135 0.339) 7.418 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 0.382 1.158 -0.646) 1.379 2.996 ( -6.662 12.749 1.377) 14.451 3.610 ( 0.226 -4.375 -1.280) 4.564 4.472 ( -7.810 7.654 -5.835) 12.395 4.689 ( -0.103 -0.828 -0.356) 0.907 4.981 ( 5.563 -1.714 6.005) 8.363 6.508 ( -5.124 1.495 -3.500) 6.383 6.741 ( 4.101 1.445 4.476) 6.240 6.801 ( 1.339 -0.228 -1.106) 1.752 7.116 ( -4.371 8.249 -2.294) 9.613 7.307 ( -0.977 2.501 1.605) 3.128 8.394 ( 4.244 -8.292 -0.125) 9.316 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -1.116 0.023 0.138) 1.125 2.940 ( -12.858 8.181 1.993) 15.370 3.547 ( -0.872 -4.691 -3.019) 5.646 4.322 ( -10.629 2.466 -3.952) 11.606 4.729 ( 3.034 1.216 -1.562) 3.623 5.055 ( 0.230 -0.139 5.759) 5.765 6.384 ( -7.275 -0.794 -2.774) 7.827 6.734 ( -4.523 -0.903 0.309) 4.623 6.868 ( 0.886 4.968 3.250) 6.003 7.198 ( 4.901 7.253 -3.332) 9.367 7.317 ( -0.385 0.481 3.165) 3.225 8.385 ( 4.617 -7.470 -0.058) 8.782 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -3.505 -0.596 0.464) 3.586 2.734 ( -17.834 2.747 1.109) 18.079 3.481 ( -1.794 -2.438 -1.700) 3.472 4.163 ( -9.242 1.378 -1.120) 9.411 4.798 ( 4.865 0.551 -1.474) 5.113 4.992 ( -9.213 -0.502 2.487) 9.556 6.249 ( -6.701 -0.471 -1.434) 6.869 6.632 ( -6.514 0.311 -0.188) 6.525 6.880 ( -5.679 3.478 1.577) 6.844 7.315 ( 2.132 1.182 -1.637) 2.936 7.380 ( 8.529 0.584 1.549) 8.688 8.432 ( 7.285 -3.211 0.969) 8.020 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -7.507 -0.000 0.000) 7.507 2.416 ( -20.581 -0.000 0.000) 20.581 3.410 ( -5.597 -0.000 0.000) 5.597 4.019 ( -8.423 -0.000 0.000) 8.423 4.759 ( -17.207 -0.000 0.000) 17.207 4.902 ( 7.345 0.000 -0.000) 7.345 6.141 ( -5.670 -0.000 0.000) 5.670 6.530 ( -5.227 -0.000 0.000) 5.227 6.777 ( -7.472 -0.000 0.000) 7.472 7.341 ( 0.784 0.000 -0.000) 0.784 7.552 ( 10.266 0.000 -0.000) 10.266 8.568 ( 9.465 0.000 -0.000) 9.465 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 0.000 14.680 0.287) 14.683 1.932 ( 0.000 17.522 1.982) 17.634 3.153 ( -0.000 19.221 -4.956) 19.849 3.705 ( -0.000 2.770 -0.973) 2.936 4.394 ( 0.000 18.904 4.045) 19.332 5.101 ( 0.000 -9.135 2.540) 9.482 5.817 ( -0.000 7.933 -0.962) 7.992 6.399 ( -0.000 -3.848 -0.295) 3.860 6.689 ( 0.000 1.259 0.604) 1.396 7.176 ( -0.000 2.568 -7.296) 7.734 7.835 ( 0.000 -9.132 1.782) 9.305 8.910 ( -0.000 -5.139 -2.764) 5.835 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -0.779 9.811 -2.001) 10.044 2.166 ( 6.751 16.157 1.414) 17.567 3.283 ( 0.128 11.601 -5.262) 12.739 3.786 ( 5.779 3.189 -1.249) 6.717 4.604 ( 1.600 16.623 2.884) 16.947 5.030 ( -0.778 -5.301 4.516) 7.008 5.962 ( 6.738 8.359 1.231) 10.806 6.380 ( 0.976 -1.015 -0.092) 1.411 6.713 ( 1.252 1.868 -0.489) 2.302 7.170 ( 0.426 -0.322 -7.101) 7.121 7.741 ( -1.613 -8.062 1.956) 8.452 8.793 ( -6.263 -4.840 -3.438) 8.630 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 0.368 5.877 -3.049) 6.631 2.472 ( 9.821 15.410 1.335) 18.322 3.377 ( 2.585 6.059 -2.140) 6.926 3.932 ( 7.738 3.761 -1.599) 8.751 4.741 ( 1.840 3.036 -0.858) 3.652 5.029 ( -1.761 6.018 5.670) 8.454 6.176 ( 7.015 6.908 4.002) 10.628 6.422 ( 3.450 3.035 -1.871) 4.961 6.774 ( 3.501 3.135 -1.185) 4.846 7.130 ( -0.061 -3.379 -7.148) 7.907 7.639 ( -2.619 -6.923 2.577) 7.838 8.602 ( -9.075 -3.509 -3.198) 10.242 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 1.639 3.730 -2.536) 4.799 2.789 ( 8.615 15.162 0.907) 17.462 3.476 ( 4.403 1.706 1.366) 4.915 4.117 ( 9.540 5.097 -0.636) 10.834 4.753 ( 2.051 -4.330 -0.469) 4.814 5.067 ( -5.442 8.486 0.959) 10.127 6.339 ( 4.378 4.336 4.766) 7.790 6.529 ( 4.087 5.168 -3.113) 7.288 6.874 ( 2.581 4.619 -2.025) 5.666 7.076 ( 2.451 -3.720 -6.270) 7.692 7.529 ( -4.157 -5.697 2.360) 7.437 8.426 ( -6.767 -2.324 -1.100) 7.239 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 1.792 2.456 -1.507) 3.393 3.049 ( 4.005 14.605 0.261) 15.147 3.553 ( 3.373 -1.881 2.558) 4.632 4.356 ( 11.046 7.129 1.191) 13.201 4.749 ( 3.017 -5.064 1.042) 5.986 4.989 ( -9.933 3.696 -3.741) 11.239 6.466 ( 4.673 3.914 1.694) 6.327 6.611 ( 2.273 1.373 -0.865) 2.793 6.871 ( -3.605 1.172 -2.932) 4.792 7.156 ( 6.626 3.781 -3.902) 8.569 7.409 ( -5.228 -2.649 1.653) 6.089 8.324 ( -2.160 -3.517 0.907) 4.226 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 0.952 1.369 -0.674) 1.798 3.206 ( -1.886 13.056 0.653) 13.208 3.559 ( 0.534 -4.907 0.854) 5.009 4.593 ( 4.708 8.598 -0.387) 9.811 4.736 ( -5.699 -1.768 -0.002) 5.967 4.856 ( 2.765 -3.424 -0.663) 4.451 6.548 ( -0.468 1.535 -4.539) 4.814 6.662 ( 5.829 -1.137 4.888) 7.691 6.819 ( -2.635 1.257 -1.284) 3.189 7.262 ( -1.094 7.348 -2.734) 7.916 7.340 ( -1.133 0.479 1.274) 1.770 8.272 ( 0.885 -5.803 0.838) 5.929 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -0.236 0.426 -0.160) 0.513 3.225 ( -9.714 8.300 1.602) 12.877 3.501 ( -0.053 -4.941 -1.494) 5.162 4.521 ( -12.365 1.329 -2.652) 12.715 4.698 ( 1.725 1.113 -0.542) 2.124 4.990 ( 8.783 -0.647 3.024) 9.311 6.475 ( -5.362 -0.958 -2.056) 5.822 6.782 ( -2.015 -0.207 1.616) 2.591 6.811 ( 8.139 1.099 0.646) 8.238 7.273 ( -2.963 6.933 -1.488) 7.685 7.344 ( -1.424 -0.038 0.976) 1.726 8.251 ( 3.114 -4.872 0.028) 5.782 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -1.561 -0.000 0.000) 1.561 3.042 ( -15.673 -0.000 0.000) 15.673 3.478 ( -0.005 -0.000 0.000) 0.005 4.330 ( -10.237 -0.000 0.000) 10.237 4.736 ( 2.612 0.000 -0.000) 2.612 5.075 ( 0.130 0.000 -0.000) 0.130 6.359 ( -6.832 -0.000 0.000) 6.832 6.727 ( -4.363 -0.000 0.000) 4.363 6.938 ( 3.323 0.000 -0.000) 3.323 7.298 ( 0.337 0.000 -0.000) 0.337 7.302 ( 0.181 0.000 -0.000) 0.181 8.301 ( 5.704 0.000 -0.000) 5.704 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( -0.000 6.319 -3.797) 7.372 2.234 ( 0.000 12.472 -0.103) 12.473 3.358 ( -0.000 6.991 -6.025) 9.229 3.759 ( -0.000 3.184 -0.496) 3.222 4.717 ( 0.000 4.947 1.121) 5.072 5.062 ( 0.000 7.700 7.370) 10.658 5.994 ( 0.000 9.128 2.603) 9.492 6.372 ( 0.000 0.968 0.841) 1.282 6.711 ( -0.000 1.154 -1.866) 2.194 7.134 ( -0.000 -1.818 -6.970) 7.203 7.687 ( 0.000 -6.872 1.496) 7.033 8.786 ( -0.000 -5.158 -3.362) 6.157 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -1.011 3.036 -4.444) 5.476 2.430 ( 9.128 10.367 -0.409) 13.819 3.392 ( 0.503 3.505 -3.548) 5.013 3.838 ( 5.485 2.908 -0.891) 6.272 4.718 ( 0.254 -3.253 -0.030) 3.263 5.193 ( -2.094 14.365 6.820) 16.039 6.150 ( 5.820 8.386 4.136) 11.014 6.408 ( 1.605 3.656 0.275) 4.003 6.731 ( 2.365 0.820 -2.514) 3.548 7.081 ( -0.549 -3.535 -6.640) 7.542 7.618 ( -1.396 -5.624 1.532) 5.993 8.680 ( -5.202 -4.293 -3.058) 7.406 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 1.151 1.794 -3.244) 3.881 2.724 ( 13.172 9.618 -0.033) 16.309 3.433 ( 2.495 0.939 -0.112) 2.668 3.984 ( 8.881 2.486 -1.150) 9.293 4.689 ( 0.757 -3.691 -0.234) 3.775 5.274 ( -5.996 11.075 3.313) 13.023 6.330 ( 4.324 5.325 4.873) 8.414 6.508 ( 4.091 6.504 -1.825) 7.897 6.802 ( 6.522 0.571 -1.748) 6.777 7.006 ( -0.942 -4.188 -5.950) 7.337 7.539 ( -2.583 -4.563 1.377) 5.421 8.527 ( -7.263 -2.442 -1.609) 7.830 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 2.289 1.408 -1.596) 3.126 3.038 ( 11.769 9.481 -0.226) 15.115 3.486 ( 3.129 -1.512 2.108) 4.064 4.189 ( 12.808 2.499 -0.158) 13.050 4.674 ( 1.297 -2.792 -0.212) 3.085 5.215 ( -11.100 5.547 -0.362) 12.414 6.442 ( 3.161 3.577 2.354) 5.322 6.603 ( 0.871 3.047 -1.058) 3.341 6.906 ( -0.419 0.293 -2.725) 2.773 6.999 ( 10.845 -0.625 -2.539) 11.155 7.455 ( -3.219 -2.808 0.783) 4.342 8.387 ( -6.594 -1.304 0.181) 6.724 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 1.878 0.791 -0.510) 2.101 3.284 ( 6.565 8.581 -0.668) 10.825 3.503 ( 0.705 -4.127 1.942) 4.615 4.467 ( 16.021 3.027 1.013) 16.336 4.675 ( 1.789 -2.349 -0.077) 2.953 5.018 ( -14.708 1.265 -1.790) 14.871 6.540 ( 3.785 3.686 -1.815) 5.586 6.599 ( -0.479 -2.581 2.067) 3.342 6.869 ( -2.281 0.491 -1.208) 2.627 7.207 ( 10.460 2.060 -1.139) 10.721 7.388 ( -2.835 -0.379 0.235) 2.870 8.277 ( -4.856 -1.585 0.676) 5.152 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.786 0.000 -0.000) 0.786 3.424 ( -5.932 -0.000 0.000) 5.932 3.429 ( 3.654 0.000 -0.000) 3.654 4.680 ( 0.927 0.000 -0.000) 0.927 4.760 ( -14.741 -0.000 0.000) 14.741 4.774 ( 15.701 0.000 -0.000) 15.701 6.538 ( -3.195 -0.000 0.000) 3.195 6.672 ( 7.798 0.000 -0.000) 7.798 6.827 ( -2.689 -0.000 0.000) 2.689 7.341 ( 3.488 0.000 -0.000) 3.488 7.346 ( -2.357 -0.000 0.000) 2.357 8.210 ( -1.335 -0.000 0.000) 1.335 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -0.000 -0.129 -5.473) 5.475 2.421 ( -0.000 7.064 -0.963) 7.130 3.398 ( -0.000 1.154 -3.369) 3.561 3.818 ( 0.000 2.791 0.009) 2.791 4.679 ( 0.000 -3.891 0.209) 3.896 5.382 ( 0.000 13.899 6.272) 15.248 6.194 ( 0.000 8.137 4.670) 9.382 6.439 ( 0.000 4.622 1.224) 4.781 6.704 ( -0.000 -0.008 -3.703) 3.703 7.028 ( -0.000 -4.090 -5.642) 6.969 7.586 ( 0.000 -4.234 1.045) 4.361 8.670 ( -0.000 -4.190 -2.855) 5.070 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 0.780 -0.480 -3.783) 3.893 2.573 ( 10.735 4.819 -0.782) 11.793 3.404 ( 1.268 0.024 -1.360) 1.860 3.884 ( 4.769 1.921 -0.271) 5.149 4.649 ( 0.308 -2.649 0.046) 2.667 5.482 ( -4.250 9.535 3.940) 11.158 6.326 ( 4.246 5.846 4.550) 8.538 6.510 ( 2.451 5.767 0.254) 6.271 6.708 ( 2.586 -1.288 -3.042) 4.196 6.964 ( -0.684 -3.836 -4.449) 5.914 7.541 ( -1.546 -3.003 0.739) 3.458 8.592 ( -3.830 -2.697 -1.823) 5.026 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 2.629 0.168 -1.402) 2.984 2.849 ( 16.084 3.260 -0.276) 16.413 3.434 ( 2.474 -0.419 0.294) 2.526 4.013 ( 9.014 0.918 -0.365) 9.068 4.639 ( 0.683 -1.237 -0.066) 1.415 5.444 ( -9.192 4.150 1.154) 10.151 6.435 ( 2.411 2.394 2.222) 4.060 6.626 ( 1.501 5.370 -0.684) 5.618 6.770 ( 10.140 -2.659 -0.568) 10.498 6.911 ( -0.489 -1.805 -2.725) 3.305 7.483 ( -2.597 -1.618 0.348) 3.079 8.487 ( -5.814 -0.888 -0.450) 5.898 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 2.776 0.000 -0.000) 2.776 3.137 ( 14.312 0.000 -0.000) 14.312 3.471 ( 1.808 0.000 -0.000) 1.808 4.213 ( 14.004 0.000 -0.000) 14.004 4.646 ( 0.904 0.000 -0.000) 0.904 5.269 ( -13.351 -0.000 0.000) 13.351 6.492 ( 2.962 0.000 -0.000) 2.962 6.626 ( -2.316 -0.000 0.000) 2.316 6.893 ( -0.615 -0.000 0.000) 0.615 6.990 ( 14.557 0.000 -0.000) 14.557 7.430 ( -2.638 -0.000 0.000) 2.638 8.375 ( -6.601 -0.000 0.000) 6.601 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -0.000 -1.046 -2.570) 2.774 2.506 ( -0.000 2.228 -0.506) 2.285 3.386 ( -0.000 -0.312 -0.949) 0.999 3.859 ( 0.000 1.135 0.088) 1.138 4.627 ( 0.000 -1.339 0.049) 1.340 5.606 ( 0.000 5.190 2.345) 5.695 6.349 ( 0.000 3.910 3.155) 5.024 6.535 ( 0.000 3.239 0.766) 3.328 6.668 ( -0.000 -0.822 -2.736) 2.857 6.925 ( -0.000 -2.632 -2.408) 3.567 7.534 ( 0.000 -1.469 0.346) 1.509 8.596 ( -0.000 -1.704 -1.140) 2.050 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 1.882 0.000 -0.000) 1.882 2.617 ( 11.248 0.000 -0.000) 11.248 3.396 ( 1.565 0.000 -0.000) 1.565 3.903 ( 4.460 0.000 -0.000) 4.460 4.624 ( 0.366 0.000 -0.000) 0.366 5.592 ( -5.057 -0.000 0.000) 5.057 6.407 ( 3.019 0.000 -0.000) 3.019 6.594 ( 5.394 0.000 -0.000) 5.394 6.662 ( 0.230 0.000 -0.000) 0.230 6.903 ( -0.438 -0.000 0.000) 0.438 7.513 ( -1.670 -0.000 0.000) 1.670 8.558 ( -3.161 -0.000 0.000) 3.161 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( 0.000 -0.000 23.566) 23.566 0.242 ( 0.000 -0.000 23.566) 23.566 0.388 ( 0.000 -0.000 38.007) 38.007 3.606 ( -0.000 0.000 -0.464) 0.464 3.606 ( -0.000 0.000 -0.464) 0.464 5.626 ( -0.000 0.000 -2.201) 2.201 5.626 ( -0.000 0.000 -2.201) 2.201 6.286 ( -0.000 0.000 -5.597) 5.597 6.631 ( 0.000 -0.000 1.574) 1.574 6.631 ( 0.000 -0.000 1.574) 1.574 8.309 ( 0.000 -0.000 3.377) 3.377 9.067 ( -0.000 0.000 -0.822) 0.822 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 17.498 10.102 10.484) 22.763 0.560 ( 16.790 9.694 12.000) 22.801 1.077 ( 34.923 20.163 16.090) 43.417 3.615 ( 0.819 0.473 -0.472) 1.057 3.677 ( 4.844 2.797 -1.785) 5.871 5.553 ( -2.386 -1.378 1.395) 3.089 5.674 ( 3.409 1.968 -0.521) 3.971 6.609 ( -1.624 -0.937 0.797) 2.037 6.639 ( 2.453 1.416 -1.359) 3.142 6.961 ( 12.492 7.212 -28.584) 32.017 8.280 ( -3.689 -2.130 4.060) 5.885 9.103 ( -1.327 -0.766 -5.138) 5.362 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 18.681 10.785 3.827) 21.907 1.001 ( 19.370 11.183 4.737) 22.863 1.895 ( 32.778 18.924 5.742) 38.281 3.640 ( 1.574 0.908 -0.429) 1.867 3.834 ( 9.356 5.401 0.485) 10.814 5.484 ( -4.194 -2.422 2.175) 5.309 5.773 ( 5.021 2.899 1.158) 5.912 6.569 ( -1.786 -1.031 -0.254) 2.078 6.655 ( -1.830 -1.057 1.019) 2.346 7.078 ( 7.713 4.453 -14.537) 17.048 8.175 ( -6.500 -3.753 4.066) 8.536 8.992 ( -6.313 -3.645 -6.739) 9.927 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 17.367 10.027 -1.252) 20.092 1.446 ( 18.552 10.711 1.754) 21.494 2.575 ( 26.244 15.152 -2.119) 30.378 3.683 ( 2.249 1.298 -0.305) 2.614 4.105 ( 13.482 7.784 4.331) 16.159 5.380 ( -5.667 -3.272 3.430) 7.388 5.900 ( 5.295 3.057 2.943) 6.785 6.538 ( -0.304 -0.176 -1.747) 1.782 6.575 ( -4.546 -2.625 1.186) 5.382 7.232 ( 7.792 4.499 -6.303) 10.986 8.024 ( -7.756 -4.478 4.285) 9.928 8.786 ( -8.561 -4.943 -10.793) 14.637 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 13.815 7.976 -4.597) 16.601 1.843 ( 15.906 9.183 -0.152) 18.367 3.078 ( 19.711 11.380 -5.306) 23.370 3.738 ( 2.627 1.517 -0.127) 3.037 4.445 ( 13.952 8.055 5.538) 17.035 5.254 ( -6.628 -3.827 5.242) 9.277 6.019 ( 3.831 2.212 4.567) 6.358 6.496 ( -2.258 -1.304 2.062) 3.324 6.556 ( 2.774 1.602 -3.316) 4.611 7.331 ( 1.626 0.939 -4.491) 4.867 7.856 ( -8.810 -5.086 5.129) 11.393 8.578 ( -4.810 -2.777 -12.770) 13.925 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 8.989 5.190 -5.695) 11.839 2.159 ( 11.974 6.913 -1.105) 13.870 3.460 ( 15.792 9.117 -4.333) 18.743 3.797 ( 2.452 1.416 0.012) 2.832 4.730 ( 9.192 5.307 2.648) 10.939 5.120 ( -6.925 -3.998 7.151) 10.728 6.099 ( 1.889 1.091 4.879) 5.345 6.503 ( 2.352 1.358 2.321) 3.573 6.638 ( 5.208 3.007 -3.715) 7.068 7.278 ( -3.765 -2.174 -5.745) 7.205 7.627 ( -12.563 -7.253 2.016) 14.646 8.528 ( 3.095 1.787 -7.497) 8.305 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 4.716 2.723 -4.523) 7.079 2.376 ( 7.480 4.319 -1.093) 8.707 3.770 ( 12.517 7.227 -4.192) 15.049 3.845 ( 1.685 0.973 0.045) 1.946 4.848 ( -0.145 -0.084 -1.051) 1.065 5.014 ( -3.232 -1.866 8.902) 9.653 6.142 ( 0.661 0.382 3.845) 3.920 6.612 ( 6.346 3.664 1.263) 7.436 6.747 ( 4.879 2.817 -2.895) 6.334 7.170 ( -3.410 -1.969 -5.448) 6.722 7.331 ( -12.893 -7.444 0.419) 14.893 8.613 ( 4.676 2.700 -2.728) 6.050 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 2.144 1.238 -2.208) 3.317 2.491 ( 2.827 1.632 -0.381) 3.286 3.871 ( 0.548 0.316 -0.034) 0.634 3.971 ( 5.848 3.377 -7.384) 10.007 4.762 ( -4.171 -2.408 -0.308) 4.826 5.028 ( 0.135 0.078 8.069) 8.070 6.156 ( -0.421 -0.243 2.312) 2.362 6.783 ( 7.881 4.550 0.132) 9.101 6.824 ( 2.363 1.364 -1.709) 3.220 7.022 ( -8.830 -5.098 -7.922) 12.912 7.158 ( -1.337 -0.772 6.295) 6.482 8.687 ( 2.121 1.225 -1.230) 2.741 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.464 0.268 0.335) 0.632 2.501 ( -1.978 -1.142 0.584) 2.358 3.869 ( -0.683 -0.395 -0.224) 0.820 3.955 ( -4.365 -2.520 -8.820) 10.159 4.735 ( 2.324 1.342 -2.048) 3.376 5.036 ( -2.322 -1.341 8.042) 8.477 6.138 ( -1.607 -0.928 0.576) 1.943 6.753 ( -8.819 -5.092 -3.379) 10.730 6.837 ( -0.886 -0.511 -0.437) 1.112 7.023 ( 9.456 5.460 -3.321) 11.413 7.218 ( 4.065 2.347 8.070) 9.336 8.698 ( -0.772 -0.446 -0.253) 0.927 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -2.616 -1.510 2.632) 4.006 2.403 ( -7.039 -4.064 1.375) 8.243 3.766 ( -9.301 -5.370 -4.801) 11.765 3.839 ( -1.743 -1.006 -0.475) 2.067 4.818 ( 4.632 2.674 -4.743) 7.149 4.959 ( -6.058 -3.497 4.834) 8.503 6.088 ( -2.606 -1.505 -1.360) 3.302 6.557 ( -6.689 -3.862 -3.769) 8.595 6.786 ( -3.434 -1.983 0.934) 4.074 7.216 ( 7.297 4.213 -0.397) 8.435 7.390 ( 8.607 4.969 5.055) 11.150 8.671 ( -1.263 -0.729 2.725) 3.091 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -8.363 -4.828 3.854) 10.398 2.189 ( -12.200 -7.043 1.747) 14.195 3.516 ( -12.368 -7.141 0.633) 14.295 3.790 ( -2.360 -1.362 -0.644) 2.800 4.700 ( -12.932 -7.466 -0.155) 14.933 4.985 ( 7.093 4.095 -5.259) 9.733 6.012 ( -3.297 -1.904 -3.375) 5.088 6.443 ( -1.988 -1.148 -3.265) 3.991 6.701 ( -4.193 -2.421 2.310) 5.364 7.339 ( 3.309 1.911 -0.497) 3.853 7.606 ( 9.000 5.196 0.608) 10.410 8.690 ( 1.955 1.129 7.451) 7.785 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -14.819 -8.556 3.837) 17.536 1.865 ( -16.769 -9.681 1.855) 19.451 3.171 ( -19.759 -11.408 3.315) 23.055 3.733 ( -2.408 -1.390 -0.646) 2.854 4.363 ( -14.946 -8.629 -2.190) 17.397 5.143 ( 7.989 4.613 -4.855) 10.425 5.916 ( -3.882 -2.242 -4.969) 6.693 6.449 ( 3.128 1.806 -2.387) 4.329 6.627 ( -2.929 -1.691 3.278) 4.710 7.350 ( -1.674 -0.966 -2.650) 3.280 7.800 ( 8.227 4.750 -0.447) 9.510 8.809 ( 5.515 3.184 9.076) 11.088 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -19.875 -11.475 2.273) 23.062 1.473 ( -19.416 -11.210 3.604) 22.708 2.608 ( -30.504 -17.612 1.592) 35.259 3.680 ( -2.007 -1.159 -0.554) 2.382 4.055 ( -11.321 -6.536 -0.912) 13.105 5.302 ( 7.008 4.046 -3.293) 8.736 5.807 ( -4.053 -2.340 -5.529) 7.244 6.546 ( 5.236 3.023 -1.650) 6.267 6.596 ( -0.833 -0.481 3.421) 3.554 7.270 ( -3.775 -2.179 -2.775) 5.167 7.979 ( 7.618 4.398 -0.131) 8.797 8.970 ( 5.741 3.314 6.420) 9.228 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -21.200 -12.240 3.905) 24.789 1.016 ( -21.552 -12.443 4.311) 25.257 1.827 ( -37.606 -21.712 0.690) 43.429 3.639 ( -1.376 -0.794 -0.476) 1.658 3.838 ( -7.852 -4.534 0.174) 9.069 5.433 ( 5.200 3.002 -1.617) 6.218 5.705 ( -3.159 -1.824 -5.017) 6.203 6.605 ( 0.454 0.262 2.936) 2.982 6.635 ( 2.267 1.309 -1.072) 2.829 7.194 ( -1.459 -0.842 -4.554) 4.855 8.139 ( 6.208 3.584 0.770) 7.209 9.096 ( 3.840 2.217 2.580) 5.130 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 21.334 12.707) 24.832 0.657 ( 0.000 19.416 14.490) 24.226 1.091 ( 0.000 36.698 18.408) 41.056 3.608 ( -0.000 0.716 -0.838) 1.102 3.682 ( -0.000 6.164 -1.699) 6.394 5.541 ( 0.000 -4.790 1.734) 5.094 5.593 ( -0.000 0.637 -4.903) 4.944 6.629 ( -0.000 2.196 -1.756) 2.812 6.653 ( 0.000 -0.053 3.066) 3.067 6.861 ( -0.000 17.642 -28.768) 33.746 8.294 ( 0.000 -4.473 4.814) 6.571 9.115 ( -0.000 1.492 -4.594) 4.830 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 6.073 18.597 11.495) 22.690 0.985 ( 8.187 21.545 6.735) 24.012 1.704 ( 19.968 32.035 8.935) 38.792 3.631 ( 1.489 1.679 -0.658) 2.339 3.776 ( 4.175 7.647 -0.525) 8.728 5.486 ( -1.014 -5.861 1.705) 6.188 5.675 ( 8.006 1.185 -3.603) 8.859 6.603 ( -2.770 -0.703 0.833) 2.977 6.666 ( -0.143 -0.417 1.540) 1.602 6.961 ( 5.527 8.711 -19.508) 22.069 8.226 ( -3.422 -6.312 4.752) 8.611 9.053 ( -5.543 -1.484 -4.944) 7.574 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 11.250 16.231 5.278) 20.442 1.366 ( 10.878 18.866 2.886) 21.967 2.355 ( 20.769 24.409 -0.018) 32.049 3.679 ( 1.343 3.395 -0.584) 3.697 3.987 ( 10.685 8.755 3.046) 14.145 5.403 ( -2.242 -6.798 2.485) 7.577 5.829 ( 8.027 3.145 -1.111) 8.692 6.550 ( -2.104 -1.540 -0.467) 2.649 6.624 ( -3.263 -1.803 1.554) 4.039 7.110 ( 8.478 6.603 -10.370) 14.934 8.096 ( -5.528 -7.148 4.516) 10.102 8.872 ( -9.818 -3.415 -7.982) 13.106 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 11.291 12.768 -1.161) 17.084 1.738 ( 11.544 16.175 1.420) 19.923 2.876 ( 17.612 17.171 -4.892) 25.079 3.739 ( 1.228 4.668 -0.607) 4.865 4.310 ( 13.848 9.323 5.611) 17.612 5.296 ( -3.298 -7.322 3.851) 8.906 5.990 ( 5.970 4.551 1.651) 7.687 6.502 ( -0.643 -2.638 -0.950) 2.876 6.572 ( -2.546 2.206 0.797) 3.462 7.262 ( 5.906 2.235 -6.084) 8.769 7.942 ( -6.105 -7.120 5.434) 10.839 8.628 ( -9.677 -3.203 -11.407) 15.298 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 8.830 8.428 -4.625) 13.053 2.075 ( 9.795 14.097 0.234) 17.168 3.275 ( 15.024 11.477 -4.473) 19.428 3.809 ( 1.134 6.081 -0.640) 6.219 4.630 ( 10.997 7.163 3.907) 13.693 5.177 ( -3.960 -7.388 5.627) 10.096 6.121 ( 2.460 5.104 4.121) 7.006 6.488 ( 1.339 -0.267 0.278) 1.393 6.597 ( 1.644 4.399 -1.926) 5.076 7.282 ( -0.963 -1.932 -6.535) 6.882 7.759 ( -9.897 -7.955 4.442) 13.452 8.475 ( -0.591 -0.210 -9.236) 9.257 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 5.805 4.792 -4.837) 8.948 2.340 ( 6.050 11.990 -0.533) 13.440 3.580 ( 12.073 4.901 -2.862) 13.341 3.899 ( 1.077 9.579 -1.315) 9.728 4.823 ( 4.230 2.848 0.188) 5.103 5.062 ( -3.373 -6.531 7.702) 10.647 6.203 ( -0.943 6.040 4.635) 7.672 6.549 ( 4.612 2.147 -0.022) 5.087 6.685 ( 4.148 3.896 -2.577) 6.247 7.192 ( -3.313 -2.040 -6.845) 7.873 7.484 ( -13.152 -7.601 1.502) 15.265 8.519 ( 6.121 0.454 -3.544) 7.087 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 3.264 2.512 -3.350) 5.310 2.510 ( 1.535 9.680 -0.332) 9.807 3.742 ( 6.708 -2.399 -2.427) 7.526 4.025 ( 0.690 13.013 -4.469) 13.776 4.804 ( -4.183 -3.091 -1.631) 5.450 5.037 ( 1.532 -2.223 9.686) 10.055 6.240 ( -3.650 6.675 3.473) 8.364 6.677 ( 7.418 2.547 -1.660) 8.017 6.781 ( 4.160 2.380 -0.882) 4.873 7.083 ( -5.903 -2.803 -8.368) 10.617 7.242 ( -7.551 -2.418 5.137) 9.447 8.613 ( 5.547 -1.395 -1.527) 5.920 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 1.652 1.076 -1.356) 2.393 2.579 ( -3.243 7.122 0.494) 7.842 3.769 ( 2.840 -5.684 -3.331) 7.174 4.086 ( -5.268 9.646 -7.945) 13.562 4.718 ( -0.850 -1.335 -1.016) 1.881 5.075 ( 0.132 -1.582 10.316) 10.437 6.232 ( -5.546 5.910 1.732) 8.287 6.792 ( 4.352 -0.907 -1.367) 4.650 6.832 ( -5.563 -3.687 -2.627) 7.172 6.949 ( 3.415 5.229 -3.813) 7.318 7.222 ( 0.684 1.959 6.588) 6.907 8.656 ( 2.883 -3.559 -1.120) 4.715 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -0.156 -0.676 0.582) 0.906 2.540 ( -8.278 4.102 1.441) 9.350 3.710 ( -0.358 -7.827 -4.746) 9.160 4.007 ( -9.075 6.365 -4.969) 12.148 4.747 ( 3.974 1.724 -3.222) 5.399 5.052 ( -4.906 -2.767 8.662) 10.333 6.180 ( -6.530 4.068 -0.115) 7.695 6.639 ( -8.417 -3.136 -3.646) 9.694 6.808 ( -0.604 -1.388 0.282) 1.540 7.136 ( 8.118 6.944 -2.316) 10.931 7.319 ( 5.651 2.176 6.878) 9.164 8.647 ( 1.626 -4.494 0.456) 4.801 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -4.238 -3.239 1.885) 5.657 2.383 ( -13.478 0.326 2.043) 13.636 3.577 ( -4.552 -7.670 -3.074) 9.434 3.902 ( -8.061 4.658 -1.345) 9.407 4.819 ( -1.246 0.158 -3.277) 3.509 4.920 ( -4.196 -2.847 2.888) 5.836 6.095 ( -6.611 2.380 -1.806) 7.254 6.487 ( -5.594 -0.434 -3.156) 6.438 6.757 ( -3.727 -1.265 1.421) 4.184 7.294 ( 4.600 3.649 -1.689) 6.110 7.494 ( 9.198 2.855 3.023) 10.094 8.656 ( 3.560 -3.021 4.093) 6.209 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -10.849 -5.557 2.367) 12.417 2.103 ( -18.060 -3.494 2.026) 18.506 3.367 ( -12.087 -7.337 0.515) 14.149 3.814 ( -6.424 3.117 -0.380) 7.151 4.555 ( -16.981 -6.663 -0.342) 18.244 5.014 ( 8.607 2.167 -3.544) 9.557 5.995 ( -6.556 1.954 -3.203) 7.553 6.430 ( -0.500 1.679 -2.580) 3.119 6.681 ( -4.113 -1.214 2.458) 4.943 7.347 ( 0.365 0.175 -3.084) 3.110 7.687 ( 9.296 2.713 0.682) 9.708 8.747 ( 6.783 -0.425 6.404) 9.338 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -20.095 -7.972 3.045) 21.832 1.750 ( -18.772 -4.159 1.488) 19.285 2.978 ( -25.476 -8.791 1.285) 26.981 3.741 ( -5.006 1.955 -0.338) 5.385 4.209 ( -14.688 -5.629 -0.739) 15.747 5.178 ( 9.038 1.821 -2.209) 9.481 5.889 ( -6.862 2.247 -4.092) 8.300 6.480 ( 4.299 2.422 -1.927) 5.297 6.622 ( -2.247 -1.185 2.993) 3.926 7.301 ( -3.079 -1.230 -3.729) 4.989 7.870 ( 9.062 2.397 0.502) 9.387 8.895 ( 7.641 0.333 4.577) 8.914 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -22.758 -7.653 3.727) 24.298 1.366 ( -22.621 -3.403 2.060) 22.968 2.351 ( -37.546 -7.836 1.202) 38.374 3.680 ( -3.588 0.904 -0.335) 3.715 3.955 ( -10.407 -2.927 -0.048) 10.811 5.334 ( 7.776 1.341 -0.187) 7.893 5.784 ( -6.480 2.776 -3.839) 8.028 6.575 ( 3.671 0.582 -1.324) 3.945 6.609 ( 1.368 -0.284 2.647) 2.994 7.215 ( -3.843 -0.400 -4.997) 6.317 8.043 ( 8.366 1.610 1.270) 8.614 9.024 ( 6.323 -0.832 0.743) 6.421 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 20.537 9.010) 22.426 1.146 ( 0.000 21.432 8.698) 23.130 1.925 ( 0.000 37.924 7.387) 38.637 3.623 ( -0.000 1.484 -1.070) 1.829 3.833 ( -0.000 9.915 -0.307) 9.920 5.436 ( 0.000 -6.902 1.329) 7.029 5.596 ( -0.000 3.356 -5.042) 6.056 6.612 ( -0.000 -3.652 -0.900) 3.762 6.670 ( 0.000 -0.345 3.086) 3.105 6.948 ( -0.000 10.237 -16.702) 19.589 8.198 ( 0.000 -8.373 4.619) 9.563 9.076 ( -0.000 -2.093 -4.343) 4.821 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 2.709 20.282 7.656) 21.848 1.431 ( 5.701 19.460 4.453) 20.761 2.381 ( 8.799 31.969 0.758) 33.167 3.670 ( 3.209 2.608 -0.790) 4.210 3.968 ( 3.854 11.608 1.800) 12.362 5.361 ( -0.835 -8.017 2.069) 8.322 5.701 ( 8.320 4.301 -3.673) 10.060 6.549 ( -1.395 -4.960 -0.912) 5.233 6.664 ( -1.500 -0.114 2.338) 2.781 7.035 ( 4.375 8.488 -11.256) 14.761 8.100 ( -2.745 -9.343 4.084) 10.559 8.971 ( -7.098 -3.081 -5.697) 9.609 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 4.445 16.433 2.113) 17.154 1.752 ( 8.505 18.530 3.317) 20.657 2.811 ( 10.580 22.651 -4.658) 25.430 3.757 ( 2.761 4.757 -0.937) 5.580 4.219 ( 10.087 12.285 4.479) 16.515 5.266 ( -1.539 -8.815 3.168) 9.493 5.901 ( 9.681 5.472 -1.149) 11.180 6.479 ( -0.788 -4.174 -0.707) 4.306 6.645 ( -2.211 2.172 1.441) 3.418 7.161 ( 5.894 3.874 -7.415) 10.234 7.963 ( -3.889 -9.132 4.316) 10.824 8.752 ( -11.414 -3.115 -8.169) 14.377 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 5.025 11.073 -2.316) 12.378 2.090 ( 8.260 18.159 2.330) 20.085 3.163 ( 11.219 14.702 -4.401) 19.010 3.851 ( 2.022 7.043 -1.135) 7.415 4.535 ( 10.830 10.095 3.359) 15.182 5.161 ( -2.005 -8.928 4.430) 10.166 6.107 ( 7.017 6.228 2.087) 9.611 6.450 ( 1.421 -1.442 -1.359) 2.439 6.651 ( -1.427 5.074 0.199) 5.274 7.226 ( 2.509 -1.397 -6.976) 7.544 7.821 ( -5.018 -8.743 5.231) 11.357 8.515 ( -8.530 -1.384 -8.658) 12.233 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 4.548 6.878 -3.662) 9.022 2.390 ( 5.543 17.013 1.040) 17.923 3.448 ( 9.961 7.764 -1.758) 12.751 3.967 ( 2.386 10.379 -1.393) 10.740 4.770 ( 6.516 5.577 0.270) 8.581 5.054 ( -2.294 -8.573 5.326) 10.350 6.268 ( 3.246 6.409 4.728) 8.600 6.491 ( 3.872 1.660 -2.748) 5.030 6.695 ( -0.113 6.187 -0.902) 6.254 7.183 ( -1.097 -2.781 -7.600) 8.167 7.622 ( -10.320 -8.036 3.060) 13.432 8.427 ( 1.711 -0.544 -4.071) 4.450 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 3.265 4.105 -3.151) 6.119 2.612 ( 1.490 15.282 0.534) 15.364 3.624 ( 5.880 1.305 -0.907) 6.091 4.124 ( 2.196 13.737 -2.826) 14.195 4.836 ( -2.845 -0.628 -2.657) 3.943 4.988 ( 2.893 -5.803 7.585) 9.979 6.377 ( -0.508 7.557 4.093) 8.609 6.585 ( 5.307 3.163 -3.165) 6.942 6.750 ( 1.348 3.248 -0.360) 3.535 7.112 ( -2.523 -0.647 -7.672) 8.102 7.379 ( -10.178 -4.289 3.128) 11.479 8.482 ( 6.006 -2.796 -1.030) 6.705 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 1.871 2.288 -1.990) 3.563 2.741 ( -3.212 13.074 0.983) 13.498 3.675 ( 2.029 -2.860 -2.203) 4.141 4.243 ( -3.122 12.466 -6.804) 14.541 4.728 ( -3.407 -2.979 -1.416) 4.742 5.052 ( 4.340 -2.837 9.300) 10.648 6.411 ( -5.340 7.274 1.235) 9.108 6.701 ( 5.449 2.471 -1.810) 6.251 6.814 ( 3.592 -0.172 0.579) 3.643 7.003 ( -6.332 1.647 -5.626) 8.629 7.273 ( -2.373 1.322 4.235) 5.031 8.535 ( 5.030 -5.600 -0.856) 7.576 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 0.526 0.656 -0.784) 1.150 2.762 ( -8.423 10.014 1.893) 13.222 3.635 ( -0.404 -5.265 -4.102) 6.687 4.205 ( -8.714 7.373 -7.046) 13.414 4.702 ( 1.780 0.528 -1.437) 2.348 5.105 ( 0.072 -2.195 9.322) 9.577 6.352 ( -7.730 3.931 -0.709) 8.701 6.753 ( -7.330 -1.452 -2.074) 7.755 6.791 ( 2.034 2.373 0.863) 3.243 7.055 ( 7.237 6.328 -2.479) 9.928 7.301 ( 1.266 1.850 4.897) 5.386 8.540 ( 3.734 -7.265 -0.685) 8.197 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -1.804 -1.219 0.125) 2.181 2.656 ( -13.922 5.460 2.342) 15.136 3.549 ( -1.668 -5.204 -3.952) 6.744 4.091 ( -8.955 4.947 -3.419) 10.787 4.762 ( 4.248 1.920 -2.956) 5.519 5.045 ( -7.699 -3.108 6.485) 10.535 6.239 ( -7.722 1.487 -1.159) 7.949 6.606 ( -8.291 1.429 -2.111) 8.674 6.817 ( -2.508 2.281 1.539) 3.723 7.234 ( 6.668 4.809 -4.288) 9.272 7.389 ( 5.988 0.697 5.295) 8.024 8.541 ( 5.078 -6.327 1.140) 8.192 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -6.272 -2.772 0.451) 6.872 2.413 ( -18.653 0.684 2.001) 18.773 3.446 ( -4.757 -3.837 -1.799) 6.371 3.979 ( -8.310 3.644 -1.036) 9.132 4.785 ( -12.358 -1.874 -0.675) 12.518 4.899 ( 3.214 -0.388 0.842) 3.345 6.125 ( -6.780 1.464 -0.973) 7.004 6.496 ( -5.675 2.454 -2.302) 6.597 6.766 ( -5.475 0.882 1.633) 5.781 7.322 ( 2.140 1.347 -3.901) 4.648 7.548 ( 9.392 0.883 2.388) 9.731 8.613 ( 8.165 -3.530 2.685) 9.291 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -13.013 -3.288 0.439) 13.429 2.068 ( -21.156 -1.495 1.502) 21.262 3.259 ( -13.979 -3.142 -1.040) 14.366 3.872 ( -7.382 2.030 -0.246) 7.660 4.456 ( -18.891 -2.739 0.561) 19.096 5.035 ( 8.873 1.470 -0.056) 8.994 6.026 ( -6.868 2.299 -1.064) 7.320 6.458 ( -0.401 2.162 -1.905) 2.909 6.678 ( -4.838 -0.991 1.722) 5.230 7.323 ( -1.182 0.377 -3.394) 3.613 7.727 ( 9.795 0.775 1.288) 9.910 8.747 ( 9.399 -2.294 0.857) 9.713 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -21.521 -1.882 1.024) 21.628 1.712 ( -20.056 -0.698 0.808) 20.084 2.876 ( -27.549 -0.963 -1.637) 27.614 3.768 ( -5.770 0.008 -0.141) 5.772 4.157 ( -14.855 0.869 1.469) 14.953 5.207 ( 8.959 1.527 1.918) 9.289 5.925 ( -7.298 2.532 -0.842) 7.770 6.506 ( 4.068 1.213 -1.424) 4.477 6.608 ( -1.977 -2.008 1.658) 3.270 7.277 ( -3.859 1.537 -3.308) 5.310 7.901 ( 9.538 0.085 1.634) 9.677 8.871 ( 8.452 -3.306 -3.168) 9.612 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 0.000 19.353 4.717) 19.920 1.589 ( 0.000 18.542 4.501) 19.080 2.635 ( -0.000 31.025 -1.543) 31.063 3.652 ( -0.000 2.200 -1.111) 2.465 4.076 ( 0.000 14.435 2.907) 14.724 5.292 ( 0.000 -8.761 2.209) 9.035 5.666 ( -0.000 6.548 -2.683) 7.076 6.500 ( -0.000 -6.001 -0.646) 6.036 6.682 ( 0.000 -0.048 1.733) 1.734 7.048 ( -0.000 7.959 -9.584) 12.458 8.037 ( 0.000 -10.357 3.249) 10.855 8.983 ( -0.000 -3.720 -5.479) 6.623 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 0.577 15.008 1.212) 15.068 1.825 ( 5.678 18.646 3.458) 19.796 2.919 ( 2.591 23.384 -5.289) 24.114 3.720 ( 4.832 3.049 -1.091) 5.817 4.268 ( 3.042 16.699 4.549) 17.573 5.206 ( -0.723 -9.200 3.305) 9.802 5.803 ( 7.692 7.607 -0.775) 10.846 6.441 ( -0.254 -4.733 0.105) 4.741 6.685 ( -0.286 0.929 0.694) 1.195 7.106 ( 2.419 4.559 -7.628) 9.210 7.928 ( -1.831 -10.047 2.877) 10.610 8.861 ( -7.270 -3.735 -6.495) 10.439 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 1.314 10.619 -1.804) 10.851 2.142 ( 8.337 18.278 2.734) 20.274 3.157 ( 5.373 15.477 -4.703) 17.045 3.844 ( 5.401 4.624 -1.390) 7.245 4.520 ( 5.707 14.793 2.901) 16.119 5.115 ( -1.239 -8.409 4.517) 9.626 6.036 ( 9.453 7.954 1.663) 12.466 6.411 ( 0.822 -1.959 -0.281) 2.144 6.705 ( 0.394 3.221 -0.356) 3.265 7.147 ( 2.297 -0.442 -6.943) 7.326 7.808 ( -2.450 -9.081 3.572) 10.061 8.645 ( -10.682 -2.479 -6.945) 12.981 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 2.347 7.192 -2.870) 8.092 2.465 ( 7.250 17.844 1.871) 19.352 3.378 ( 7.333 8.878 -1.304) 11.589 3.989 ( 5.538 7.393 -1.122) 9.305 4.731 ( 5.036 7.601 -0.677) 9.143 5.032 ( -2.318 -5.732 4.601) 7.707 6.259 ( 6.389 6.283 4.812) 10.172 6.438 ( 3.201 1.947 -2.868) 4.718 6.759 ( 0.633 5.880 -1.260) 6.047 7.126 ( 0.841 -3.425 -7.222) 8.037 7.678 ( -4.698 -8.422 3.466) 10.248 8.451 ( -6.601 -0.847 -4.464) 8.013 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 2.542 4.841 -2.479) 6.004 2.737 ( 3.721 16.967 1.165) 17.409 3.551 ( 5.567 3.050 0.744) 6.391 4.177 ( 6.093 11.019 -0.656) 12.609 4.843 ( 4.481 0.607 -0.899) 4.610 4.935 ( -5.133 -4.172 1.831) 6.864 6.404 ( 3.863 3.513 3.594) 6.338 6.536 ( 4.673 5.073 -2.144) 7.223 6.804 ( -1.977 4.841 -1.664) 5.487 7.095 ( 1.402 -0.176 -6.797) 6.942 7.501 ( -8.161 -5.863 2.276) 10.303 8.386 ( 0.952 -2.201 -0.667) 2.489 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 1.781 3.126 -1.677) 3.970 2.926 ( -0.838 15.433 1.272) 15.508 3.623 ( 1.738 -1.312 0.065) 2.179 4.372 ( 1.843 12.972 -2.921) 13.423 4.780 ( -7.389 -2.502 -2.569) 8.213 4.933 ( 7.681 -4.536 4.966) 10.209 6.491 ( 1.754 2.745 -1.713) 3.680 6.663 ( 4.533 4.361 2.443) 6.748 6.784 ( -1.575 0.774 -1.328) 2.201 7.107 ( -2.428 5.570 -5.514) 8.205 7.350 ( -4.983 -1.200 2.738) 5.811 8.395 ( 3.803 -5.593 0.277) 6.769 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.618 1.646 -0.979) 2.012 3.014 ( -6.302 12.937 2.195) 14.556 3.593 ( -1.142 -4.236 -2.075) 4.853 4.407 ( -8.666 8.615 -6.654) 13.914 4.684 ( -0.152 -0.578 -0.645) 0.880 5.049 ( 6.955 -3.203 7.004) 10.377 6.475 ( -4.429 0.468 -2.713) 5.215 6.771 ( 0.250 1.785 -0.417) 1.851 6.801 ( 4.925 0.856 2.856) 5.757 7.088 ( -4.168 9.004 -3.120) 10.401 7.328 ( -0.424 1.587 2.317) 2.840 8.393 ( 3.829 -8.013 -0.250) 8.884 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -0.857 0.263 -0.536) 1.044 2.964 ( -12.968 7.797 2.547) 15.345 3.516 ( -1.174 -3.840 -2.851) 4.924 4.282 ( -9.741 4.370 -3.837) 11.345 4.715 ( 2.482 1.526 -1.331) 3.203 5.110 ( 0.005 -2.490 5.034) 5.616 6.365 ( -6.921 -0.447 -1.014) 7.009 6.726 ( -4.650 -0.314 -1.804) 4.998 6.900 ( 0.296 4.666 2.892) 5.497 7.159 ( 3.788 7.019 -4.141) 8.987 7.351 ( 1.176 0.017 3.421) 3.617 8.385 ( 4.980 -7.275 0.004) 8.817 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -3.348 -0.689 -0.533) 3.460 2.747 ( -17.968 1.622 1.466) 18.100 3.468 ( -1.579 -0.935 -0.983) 2.082 4.151 ( -8.794 2.599 -1.281) 9.259 4.784 ( 4.339 1.803 -1.322) 4.882 5.016 ( -9.252 -2.880 2.236) 9.945 6.244 ( -6.665 0.240 0.562) 6.693 6.622 ( -6.681 1.020 -1.833) 7.003 6.893 ( -5.967 2.391 0.861) 6.486 7.271 ( 4.067 3.107 -5.743) 7.693 7.417 ( 6.557 -1.160 4.461) 8.015 8.439 ( 7.771 -3.874 0.419) 8.693 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -7.509 -0.550 -1.113) 7.611 2.420 ( -20.466 -1.097 0.717) 20.508 3.408 ( -6.083 0.773 -0.464) 6.149 4.017 ( -8.472 0.395 -0.473) 8.495 4.756 ( -15.986 -0.201 -0.629) 16.000 4.913 ( 6.714 0.645 2.137) 7.076 6.149 ( -5.872 0.945 1.663) 6.176 6.522 ( -5.177 1.201 -1.603) 5.551 6.777 ( -7.257 -1.322 -0.054) 7.377 7.319 ( 1.384 1.583 -4.012) 4.530 7.567 ( 9.703 -0.618 2.796) 10.117 8.559 ( 9.090 -2.031 -1.754) 9.478 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -13.639 1.080 -2.206) 13.858 2.059 ( -20.643 -0.170 0.632) 20.653 3.240 ( -15.583 2.577 -2.745) 16.032 3.868 ( -7.419 -1.967 -0.546) 7.695 4.474 ( -17.491 3.419 2.219) 17.960 5.075 ( 9.165 1.199 3.549) 9.901 6.061 ( -6.392 0.633 2.191) 6.787 6.476 ( -0.377 0.432 -0.462) 0.737 6.651 ( -5.008 -1.912 -0.582) 5.392 7.331 ( -0.820 2.165 -2.755) 3.598 7.738 ( 9.920 -0.937 2.559) 10.288 8.672 ( 8.317 -3.017 -6.240) 10.827 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.000 12.566 -0.776) 12.590 1.949 ( 0.000 16.360 1.291) 16.411 3.092 ( -0.000 18.387 -6.873) 19.629 3.696 ( -0.000 2.918 -0.773) 3.018 4.442 ( 0.000 18.741 5.368) 19.495 5.137 ( 0.000 -8.337 4.380) 9.417 5.817 ( 0.000 9.209 0.868) 9.250 6.403 ( 0.000 -3.520 1.145) 3.702 6.690 ( -0.000 0.385 -0.487) 0.621 7.103 ( -0.000 2.939 -7.164) 7.743 7.853 ( 0.000 -9.586 1.873) 9.768 8.863 ( -0.000 -4.226 -6.308) 7.593 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -0.828 8.467 -3.170) 9.079 2.176 ( 7.397 15.152 0.581) 16.871 3.228 ( 1.233 12.452 -5.427) 13.639 3.774 ( 5.366 3.213 -1.003) 6.334 4.634 ( 0.598 14.373 3.140) 14.724 5.084 ( -0.824 -3.682 5.977) 7.068 5.982 ( 7.034 9.587 2.625) 12.177 6.386 ( 0.350 -1.101 1.341) 1.770 6.703 ( 1.408 1.077 -1.511) 2.329 7.099 ( 0.439 -0.339 -6.794) 6.817 7.760 ( -1.154 -8.364 1.770) 8.627 8.744 ( -6.373 -3.620 -6.134) 9.557 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 0.777 5.579 -3.546) 6.656 2.482 ( 10.333 14.692 0.554) 17.970 3.359 ( 4.042 7.433 -1.484) 8.590 3.918 ( 7.806 3.811 -1.153) 8.762 4.737 ( 1.068 2.566 -0.043) 2.780 5.085 ( -2.947 5.182 5.229) 7.930 6.221 ( 7.871 7.974 4.734) 12.163 6.408 ( 1.784 2.271 -0.882) 3.020 6.758 ( 3.625 2.776 -1.946) 4.963 7.060 ( -0.083 -3.271 -6.557) 7.328 7.662 ( -2.118 -7.468 1.914) 7.995 8.563 ( -8.570 -1.910 -4.426) 9.833 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 2.096 4.077 -2.468) 5.206 2.795 ( 8.755 14.571 0.325) 17.002 3.492 ( 5.158 2.693 1.689) 6.059 4.113 ( 10.277 5.400 -0.027) 11.609 4.752 ( 2.385 -3.899 0.190) 4.575 5.073 ( -7.617 6.789 0.120) 10.204 6.384 ( 3.190 3.099 3.779) 5.836 6.506 ( 4.667 6.169 -1.124) 7.817 6.851 ( 1.965 4.252 -2.511) 5.315 7.016 ( 3.004 -2.615 -5.484) 6.778 7.547 ( -4.028 -6.320 1.322) 7.610 8.414 ( -5.739 -1.072 -1.199) 5.960 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 2.049 2.948 -1.337) 3.831 3.051 ( 4.361 14.006 0.231) 14.671 3.577 ( 2.791 -1.424 2.079) 3.760 4.368 ( 10.980 7.779 1.185) 13.508 4.763 ( 4.685 -6.082 1.841) 7.895 4.949 ( -11.629 3.775 -4.159) 12.915 6.463 ( 2.767 2.862 -1.751) 4.349 6.627 ( 3.769 1.978 3.648) 5.606 6.840 ( -3.037 1.332 -3.088) 4.531 7.117 ( 6.280 5.309 -3.753) 9.040 7.423 ( -4.824 -3.243 1.058) 5.908 8.333 ( -1.842 -3.120 0.814) 3.713 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 1.049 1.778 -0.669) 2.171 3.215 ( -0.997 12.641 1.095) 12.727 3.565 ( -0.880 -4.904 0.281) 4.990 4.582 ( 1.275 9.660 -1.676) 9.887 4.726 ( -8.724 -1.043 -1.652) 8.940 4.865 ( 9.487 -4.991 2.304) 10.964 6.508 ( -0.172 1.728 -3.319) 3.746 6.706 ( 5.097 -2.062 3.464) 6.499 6.807 ( -1.821 2.261 -0.774) 3.005 7.234 ( -0.570 8.539 -2.773) 8.996 7.353 ( -1.251 -0.182 1.257) 1.782 8.280 ( 0.489 -5.827 0.691) 5.889 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -0.218 0.706 -0.418) 0.848 3.243 ( -9.559 7.243 1.913) 12.145 3.488 ( -0.488 -4.105 -1.152) 4.292 4.496 ( -12.175 3.992 -2.230) 13.005 4.693 ( 1.512 1.366 -0.499) 2.098 5.016 ( 8.969 -3.300 2.038) 9.772 6.463 ( -4.913 0.417 -0.226) 4.936 6.759 ( -0.121 0.399 -3.907) 3.930 6.844 ( 5.964 -0.845 3.539) 6.986 7.258 ( -3.664 7.787 -1.496) 8.735 7.354 ( -0.588 -0.474 1.001) 1.254 8.253 ( 2.938 -4.877 0.303) 5.702 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -1.671 0.111 -0.586) 1.774 3.043 ( -15.588 -1.751 0.085) 15.686 3.484 ( -0.000 1.881 1.219) 2.241 4.332 ( -10.350 2.030 0.322) 10.552 4.737 ( 2.632 0.990 0.056) 2.813 5.069 ( 0.237 -2.900 -1.213) 3.152 6.369 ( -6.810 1.023 1.904) 7.144 6.714 ( -3.969 0.586 -2.438) 4.694 6.933 ( 2.980 -2.074 -0.864) 3.732 7.266 ( -1.653 5.000 -3.379) 6.257 7.333 ( 1.989 -4.271 3.148) 5.666 8.302 ( 5.571 -0.133 0.334) 5.582 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -3.852 0.429 -1.395) 4.120 2.725 ( -17.593 -3.803 -0.544) 18.007 3.501 ( -2.423 3.528 2.059) 4.749 4.173 ( -9.965 -0.312 0.831) 10.004 4.814 ( 5.140 1.048 1.635) 5.494 4.966 ( -8.109 -1.798 -2.515) 8.678 6.273 ( -6.748 1.095 3.187) 7.543 6.625 ( -6.148 0.598 -1.624) 6.387 6.862 ( -5.163 -4.438 -1.924) 7.075 7.289 ( 1.579 1.753 -5.140) 5.655 7.401 ( 8.830 -3.550 3.924) 10.294 8.420 ( 6.179 2.576 -1.292) 6.818 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -7.360 1.856 -2.983) 8.155 2.385 ( -18.217 -2.132 -0.622) 18.352 3.466 ( -7.727 5.069 0.061) 9.241 3.986 ( -9.747 -2.986 -0.370) 10.201 4.774 ( -12.753 2.362 -0.764) 12.993 4.948 ( 8.114 0.485 4.593) 9.337 6.177 ( -6.351 -0.661 3.862) 7.463 6.523 ( -4.816 -0.214 -0.010) 4.821 6.725 ( -5.711 -1.835 -2.031) 6.333 7.314 ( 2.335 0.063 -4.536) 5.102 7.555 ( 10.873 -3.039 2.908) 11.659 8.528 ( 4.695 1.795 -5.211) 7.240 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -0.000 5.175 -5.333) 7.431 2.229 ( -0.000 11.973 -0.829) 12.001 3.303 ( -0.000 8.164 -4.773) 9.457 3.755 ( -0.000 3.376 -0.142) 3.379 4.733 ( 0.000 2.933 1.969) 3.533 5.138 ( 0.000 8.560 7.325) 11.266 6.027 ( 0.000 10.066 3.861) 10.781 6.388 ( 0.000 0.845 2.398) 2.542 6.687 ( -0.000 0.341 -2.785) 2.806 7.066 ( -0.000 -1.654 -6.462) 6.671 7.698 ( 0.000 -6.998 0.771) 7.040 8.740 ( -0.000 -3.995 -5.598) 6.877 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -0.239 2.944 -5.018) 5.823 2.422 ( 9.510 10.110 -1.200) 13.932 3.366 ( 1.659 4.553 -1.625) 5.111 3.832 ( 4.986 3.077 -0.323) 5.868 4.725 ( -0.095 -3.576 1.202) 3.774 5.255 ( -2.962 13.266 5.212) 14.558 6.195 ( 6.097 8.964 4.762) 11.840 6.418 ( 0.411 3.173 1.587) 3.571 6.703 ( 2.892 0.420 -3.025) 4.206 7.016 ( -0.614 -3.096 -5.953) 6.738 7.628 ( -1.151 -5.804 0.328) 5.926 8.642 ( -4.841 -3.022 -4.169) 7.067 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 1.922 2.377 -2.943) 4.243 2.718 ( 13.523 9.468 -1.117) 16.546 3.441 ( 3.669 1.293 1.678) 4.237 3.977 ( 8.937 2.622 -0.168) 9.315 4.692 ( 0.547 -3.893 0.790) 4.009 5.297 ( -7.568 10.303 1.203) 12.840 6.380 ( 3.663 4.282 4.806) 7.406 6.494 ( 3.564 6.888 -0.791) 7.795 6.784 ( 6.980 1.097 -1.724) 7.273 6.949 ( -0.857 -3.489 -5.101) 6.239 7.545 ( -2.393 -4.842 -0.118) 5.402 8.510 ( -6.486 -1.409 -1.694) 6.850 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 2.676 2.032 -1.143) 3.549 3.029 ( 11.823 9.310 -1.411) 15.115 3.513 ( 3.523 -1.911 3.087) 5.059 4.194 ( 13.552 2.338 1.212) 13.806 4.676 ( 1.268 -3.066 0.522) 3.358 5.202 ( -12.501 5.955 -2.160) 14.014 6.454 ( 1.554 2.962 -0.043) 3.345 6.611 ( 2.016 2.822 2.508) 4.281 6.875 ( -1.055 0.929 -3.201) 3.496 6.979 ( 11.541 0.903 -1.593) 11.686 7.456 ( -3.059 -3.053 -0.411) 4.341 8.390 ( -5.994 -1.081 0.286) 6.098 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 1.951 1.236 -0.255) 2.324 3.274 ( 7.008 8.409 -1.281) 11.021 3.524 ( 0.209 -4.975 2.031) 5.378 4.482 ( 16.233 2.140 1.857) 16.478 4.677 ( 1.985 -2.771 0.342) 3.425 4.996 ( -15.195 3.189 -2.570) 15.737 6.511 ( 1.800 3.591 -3.014) 5.022 6.636 ( 1.111 -3.171 4.177) 5.360 6.857 ( -1.805 1.793 -1.297) 2.856 7.196 ( 10.197 3.272 -0.925) 10.749 7.388 ( -2.587 -0.634 -0.242) 2.675 8.283 ( -4.767 -2.099 0.535) 5.236 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.716 0.313 0.000) 0.782 3.424 ( -5.861 -0.152 0.100) 5.864 3.429 ( 3.783 -0.757 -0.101) 3.860 4.681 ( 0.828 0.261 0.044) 0.870 4.759 ( -11.364 -0.541 -0.118) 11.378 4.774 ( 12.245 0.977 0.076) 12.284 6.540 ( -2.175 2.891 0.336) 3.633 6.667 ( 5.905 -2.655 -0.740) 6.516 6.830 ( -2.055 0.199 0.463) 2.115 7.336 ( 1.665 1.863 -0.576) 2.564 7.351 ( -0.526 -0.907 0.518) 1.169 8.210 ( -1.237 -0.621 0.000) 1.384 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -0.431 -0.169 -0.118) 0.478 3.212 ( -9.931 -8.879 -1.077) 13.365 3.517 ( 0.825 5.116 1.619) 5.429 4.549 ( -12.345 0.976 2.681) 12.671 4.705 ( 1.923 -0.845 0.763) 2.234 4.956 ( 8.161 -1.537 -3.775) 9.123 6.504 ( -5.665 2.282 3.644) 7.112 6.734 ( 2.616 0.089 -5.893) 6.448 6.824 ( 3.120 -2.104 1.418) 4.021 7.287 ( -2.202 -6.475 1.276) 6.958 7.334 ( -2.323 0.050 -1.051) 2.550 8.252 ( 3.432 4.690 0.294) 5.819 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -1.603 0.136 -0.780) 1.787 2.924 ( -12.835 -8.443 -1.203) 15.410 3.576 ( -0.451 4.826 2.719) 5.557 4.359 ( -11.593 -0.982 3.324) 12.100 4.747 ( 3.759 -0.864 2.102) 4.392 4.995 ( 0.504 -1.400 -5.896) 6.081 6.419 ( -7.533 0.860 3.979) 8.563 6.718 ( -3.441 1.713 -2.750) 4.726 6.838 ( 0.557 -4.939 -2.540) 5.581 7.221 ( 4.869 -7.054 0.683) 8.598 7.292 ( -1.260 -1.296 -1.281) 2.215 8.387 ( 4.145 7.419 0.172) 8.500 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -3.355 1.232 -2.311) 4.256 2.619 ( -13.890 -5.674 -1.155) 15.048 3.612 ( -2.695 6.002 2.032) 6.886 4.144 ( -12.129 -3.407 1.131) 12.649 4.835 ( 6.288 -1.464 4.091) 7.644 4.932 ( -4.634 1.340 -3.846) 6.170 6.293 ( -7.476 -2.903 3.790) 8.871 6.628 ( -6.940 0.983 -0.420) 7.022 6.775 ( -2.347 -1.165 -2.091) 3.352 7.253 ( 1.259 -1.598 -5.480) 5.845 7.323 ( 11.167 -6.404 1.995) 13.027 8.511 ( 1.916 6.770 -1.664) 7.230 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -0.000 0.698 -5.309) 5.354 2.410 ( -0.000 7.220 -1.298) 7.335 3.379 ( -0.000 1.892 -0.411) 1.936 3.819 ( 0.000 2.828 0.234) 2.837 4.688 ( 0.000 -4.438 1.439) 4.665 5.433 ( 0.000 12.734 3.554) 13.221 6.242 ( 0.000 8.108 4.706) 9.375 6.460 ( 0.000 4.139 2.882) 5.044 6.665 ( -0.000 -0.153 -3.856) 3.859 6.972 ( -0.000 -3.208 -5.118) 6.040 7.588 ( -0.000 -4.199 -0.641) 4.248 8.639 ( -0.000 -2.995 -3.152) 4.348 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 1.451 0.861 -2.797) 3.267 2.563 ( 10.728 5.231 -1.240) 12.000 3.406 ( 1.875 0.069 1.697) 2.530 3.883 ( 4.567 1.953 0.174) 4.971 4.655 ( 0.187 -3.108 1.121) 3.309 5.506 ( -4.799 8.551 0.692) 9.830 6.368 ( 4.296 4.691 3.593) 7.305 6.519 ( 1.183 5.476 1.471) 5.792 6.682 ( 3.579 -0.667 -1.795) 4.059 6.920 ( -0.780 -2.480 -4.108) 4.861 7.538 ( -1.466 -2.878 -1.223) 3.453 8.576 ( -3.492 -1.704 -1.311) 4.100 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 2.894 1.280 -0.451) 3.197 2.840 ( 15.923 3.838 -1.494) 16.447 3.451 ( 2.859 -1.379 2.959) 4.339 4.015 ( 9.186 0.925 0.781) 9.266 4.642 ( 0.572 -1.499 0.762) 1.776 5.440 ( -9.666 3.910 -1.870) 10.593 6.450 ( 1.779 0.691 0.607) 2.003 6.630 ( 1.734 5.567 1.342) 5.983 6.768 ( 10.248 -2.450 0.354) 10.543 6.885 ( -0.410 0.598 -2.288) 2.400 7.477 ( -2.479 -1.427 -1.454) 3.209 8.486 ( -5.564 -0.517 0.203) 5.591 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 2.671 0.680 0.524) 2.806 3.127 ( 14.297 1.086 -1.868) 14.459 3.481 ( 1.495 -2.178 1.901) 3.254 4.221 ( 13.994 -0.535 1.616) 14.097 4.649 ( 0.828 -0.035 0.530) 0.984 5.259 ( -13.003 1.014 -2.032) 13.200 6.481 ( 2.523 -0.364 -1.816) 3.130 6.642 ( -1.874 -0.778 2.918) 3.554 6.892 ( -0.389 1.976 -0.210) 2.025 6.993 ( 14.226 0.723 0.572) 14.256 7.424 ( -2.430 0.164 -1.219) 2.723 8.377 ( -6.737 -0.329 0.265) 6.750 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 1.668 -0.365 0.669) 1.834 3.286 ( 6.970 -8.003 -0.260) 10.615 3.486 ( 0.415 2.491 -1.313) 2.846 4.462 ( 15.082 -4.181 -0.116) 15.652 4.678 ( 1.525 2.125 0.379) 2.643 5.032 ( -13.541 0.730 0.925) 13.592 6.527 ( 5.024 -1.535 -3.295) 6.201 6.615 ( -1.608 -0.135 4.155) 4.458 6.880 ( -2.771 0.770 0.755) 2.973 7.218 ( 10.514 -0.884 1.156) 10.615 7.383 ( -2.609 0.137 -0.681) 2.700 8.270 ( -5.046 1.025 -0.706) 5.197 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 0.724 -0.974 0.569) 1.340 3.202 ( -2.479 -13.282 -0.120) 13.512 3.548 ( 1.931 4.608 -1.286) 5.159 4.590 ( 7.103 -8.493 -0.989) 11.116 4.728 ( -2.071 1.874 -1.331) 3.094 4.877 ( -3.776 3.457 3.276) 6.078 6.585 ( 3.944 -4.426 -0.326) 5.937 6.626 ( 0.860 3.764 0.736) 3.931 6.830 ( -2.839 -0.494 0.771) 2.983 7.287 ( -2.464 -6.278 1.946) 7.020 7.328 ( -0.100 -1.103 -0.974) 1.475 8.264 ( 1.370 5.689 -0.803) 5.906 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -0.049 -0.723 0.225) 0.758 2.986 ( -7.017 -12.555 -0.468) 14.391 3.618 ( 1.565 4.079 0.432) 4.390 4.517 ( -5.924 -7.667 2.548) 10.019 4.691 ( 0.145 0.802 0.099) 0.821 4.935 ( 3.017 1.722 -2.586) 4.330 6.539 ( -4.629 -4.023 2.075) 6.475 6.702 ( 3.680 1.832 -2.474) 4.798 6.809 ( 0.426 0.080 0.437) 0.616 7.132 ( -4.456 -7.823 0.859) 9.044 7.296 ( -1.489 -2.943 -0.591) 3.351 8.395 ( 4.630 8.354 0.036) 9.551 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -1.039 0.181 -0.838) 1.347 2.736 ( -8.910 -9.305 -0.551) 12.895 3.687 ( 0.938 5.077 1.014) 5.261 4.312 ( -10.613 -6.001 1.530) 12.288 4.731 ( 4.339 -1.460 1.307) 4.761 4.965 ( 0.036 1.401 -2.437) 2.811 6.380 ( -7.025 -7.522 1.736) 10.438 6.746 ( -1.607 2.907 -2.269) 4.022 6.796 ( -3.116 2.232 1.157) 4.003 7.082 ( 7.270 -6.498 -1.015) 9.803 7.229 ( -1.727 -3.698 -0.959) 4.193 8.545 ( 2.932 7.715 -0.125) 8.254 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -0.000 1.004 -0.834) 1.306 2.501 ( -0.000 2.750 -0.538) 2.802 3.395 ( 0.000 -0.426 2.633) 2.667 3.860 ( 0.000 1.025 0.142) 1.035 4.633 ( 0.000 -1.794 1.092) 2.101 5.611 ( -0.000 4.029 -1.492) 4.296 6.368 ( 0.000 1.647 0.370) 1.688 6.554 ( 0.000 2.010 2.924) 3.548 6.651 ( -0.000 1.128 -0.308) 1.170 6.900 ( -0.000 -0.490 -2.613) 2.659 7.527 ( -0.000 -1.130 -1.874) 2.188 8.590 ( -0.000 -0.763 -0.052) 0.764 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 1.735 1.699 1.424) 2.816 2.615 ( 11.031 0.627 -0.382) 11.055 3.414 ( 1.443 -0.585 3.486) 3.818 3.905 ( 4.649 -0.032 0.387) 4.666 4.629 ( 0.330 -0.339 0.935) 1.048 5.573 ( -4.938 -0.847 -3.698) 6.228 6.395 ( 3.370 -2.293 -2.355) 4.708 6.602 ( 4.978 -1.361 1.626) 5.411 6.675 ( 0.177 1.739 2.414) 2.980 6.902 ( -0.275 2.810 -0.146) 2.827 7.502 ( -1.608 0.398 -2.135) 2.703 8.563 ( -3.235 0.592 1.058) 3.455 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 2.134 0.782 2.056) 3.065 2.845 ( 15.728 -2.596 -1.037) 15.974 3.445 ( 1.606 -0.861 2.452) 3.055 4.023 ( 9.265 -0.942 1.536) 9.438 4.644 ( 0.670 1.058 0.832) 1.504 5.418 ( -8.238 -4.162 -3.964) 10.045 6.409 ( 2.935 -3.797 -2.883) 5.599 6.642 ( 2.131 -5.655 2.245) 6.447 6.778 ( 8.987 3.253 0.929) 9.603 6.940 ( -0.293 4.089 2.942) 5.046 7.470 ( -2.459 1.866 -2.087) 3.726 8.494 ( -6.268 1.045 0.988) 6.431 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 1.804 -0.892 1.745) 2.664 3.033 ( 12.040 -9.155 -1.142) 15.168 3.472 ( 1.927 0.448 -0.584) 2.063 4.197 ( 11.959 -2.921 1.385) 12.388 4.680 ( 1.189 2.655 0.785) 3.013 5.210 ( -9.166 -4.860 -1.284) 10.454 6.412 ( 3.685 -4.261 -3.279) 6.518 6.627 ( 0.866 -3.263 3.302) 4.723 6.927 ( 1.340 0.186 1.422) 1.962 7.030 ( 8.731 2.448 3.584) 9.751 7.441 ( -3.013 2.589 -1.932) 4.417 8.386 ( -7.309 1.378 -0.078) 7.438 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 1.481 -1.986 1.412) 2.851 3.046 ( 4.204 -14.915 -0.238) 15.498 3.526 ( 3.438 1.981 -2.612) 4.750 4.345 ( 10.173 -6.997 -0.973) 12.385 4.741 ( 1.619 4.144 -0.494) 4.477 5.024 ( -7.715 -3.205 3.114) 8.916 6.435 ( 5.355 -4.478 -3.833) 7.964 6.638 ( 1.880 -1.573 3.910) 4.615 6.898 ( -4.042 -0.685 2.493) 4.798 7.195 ( 6.616 -2.169 3.745) 7.906 7.389 ( -5.300 1.929 -2.281) 6.084 8.315 ( -2.503 3.966 -0.835) 4.764 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 1.293 -1.848 1.298) 2.602 2.916 ( -1.012 -15.425 0.330) 15.462 3.600 ( 3.792 2.115 -2.039) 4.797 4.385 ( 5.560 -11.045 -1.698) 12.482 4.772 ( -3.049 3.748 -2.619) 5.496 4.939 ( -1.232 -0.170 4.851) 5.008 6.461 ( 4.185 -6.197 -4.032) 8.495 6.684 ( 3.116 -0.825 3.633) 4.856 6.816 ( -3.544 -2.300 1.866) 4.619 7.205 ( -4.930 -1.704 3.502) 6.282 7.298 ( -3.842 -0.534 -1.996) 4.363 8.389 ( 4.351 6.734 -0.290) 8.023 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 0.000 2.700 3.643) 4.534 2.511 ( 0.000 -1.783 0.377) 1.823 3.414 ( 0.000 0.011 4.662) 4.662 3.858 ( -0.000 -1.195 -0.006) 1.195 4.632 ( 0.000 0.957 0.960) 1.355 5.564 ( -0.000 -6.074 -5.926) 8.486 6.309 ( -0.000 -5.006 -4.492) 6.726 6.538 ( 0.000 -4.657 1.367) 4.854 6.702 ( 0.000 1.662 3.783) 4.132 6.948 ( 0.000 5.088 1.971) 5.457 7.520 ( -0.000 1.926 -2.445) 3.113 8.612 ( 0.000 2.262 1.953) 2.989 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 0.066 1.311 3.921) 4.135 2.578 ( 10.371 -4.503 0.134) 11.307 3.433 ( 0.316 -0.430 4.422) 4.454 3.889 ( 5.324 -1.830 0.826) 5.690 4.654 ( 0.355 2.324 0.985) 2.549 5.428 ( -3.485 -10.006 -6.711) 12.542 6.279 ( 4.444 -6.253 -4.425) 8.856 6.514 ( 3.141 -6.283 1.126) 7.114 6.740 ( 1.774 1.226 3.162) 3.827 7.009 ( -0.442 5.596 4.279) 7.058 7.524 ( -1.553 3.342 -2.536) 4.473 8.611 ( -4.181 3.096 1.919) 5.545 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 0.473 -1.496 2.948) 3.340 2.718 ( 12.709 -9.614 -1.090) 15.973 3.444 ( 0.863 -1.216 1.895) 2.411 4.000 ( 8.951 -2.538 2.054) 9.528 4.697 ( 0.806 3.603 1.164) 3.871 5.232 ( -4.152 -11.265 -4.933) 12.980 6.285 ( 4.500 -5.858 -3.935) 8.370 6.530 ( 5.012 -6.442 2.403) 8.508 6.818 ( 5.817 -0.432 1.296) 5.975 7.068 ( -0.848 5.213 6.160) 8.114 7.518 ( -2.653 4.535 -2.752) 5.932 8.541 ( -7.885 2.993 1.158) 8.513 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 1.289 -3.454 2.167) 4.277 2.778 ( 8.894 -15.395 -1.342) 17.830 3.465 ( 3.105 -1.193 -0.745) 3.409 4.125 ( 8.615 -5.165 1.069) 10.102 4.760 ( 1.436 4.574 0.923) 4.882 5.054 ( -2.926 -9.551 -1.527) 10.105 6.293 ( 4.464 -4.901 -4.019) 7.752 6.563 ( 4.290 -4.984 3.491) 7.445 6.890 ( 3.361 -4.695 1.162) 5.890 7.142 ( 1.739 4.569 6.591) 8.206 7.500 ( -4.209 5.241 -3.340) 7.506 8.435 ( -7.435 3.477 0.757) 8.243 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 2.359 -3.661 2.123) 4.845 2.723 ( 4.624 -17.275 -0.107) 17.884 3.522 ( 5.162 -0.876 -1.969) 5.594 4.179 ( 5.764 -9.239 -0.425) 10.898 4.830 ( 0.482 5.422 -1.607) 5.676 4.942 ( -0.708 -6.671 2.038) 7.011 6.312 ( 4.678 -5.072 -4.420) 8.195 6.601 ( 4.014 -4.299 3.060) 6.630 6.842 ( -2.014 -6.373 2.002) 6.978 7.230 ( 1.100 2.045 6.252) 6.670 7.441 ( -7.827 5.536 -3.700) 10.276 8.407 ( -0.492 5.073 1.315) 5.263 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 0.000 0.283 4.472) 4.481 2.429 ( 0.000 -7.064 0.444) 7.078 3.447 ( 0.000 -1.065 6.198) 6.289 3.819 ( 0.000 -2.671 0.238) 2.681 4.684 ( 0.000 3.490 1.093) 3.657 5.308 ( -0.000 -14.317 -8.328) 16.563 6.149 ( -0.000 -7.627 -4.013) 8.619 6.436 ( 0.000 -5.292 0.582) 5.323 6.738 ( 0.000 -0.523 3.092) 3.135 7.084 ( 0.000 5.358 5.408) 7.613 7.568 ( -0.000 4.619 -2.540) 5.271 8.695 ( 0.000 4.563 1.973) 4.971 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -1.433 -3.460 3.180) 4.913 2.430 ( 8.573 -10.679 -0.508) 13.703 3.436 ( -0.966 -3.295 4.869) 5.958 3.850 ( 6.153 -2.815 1.426) 6.915 4.726 ( 0.492 2.908 1.407) 3.268 5.119 ( -1.162 -14.523 -7.661) 16.461 6.113 ( 5.522 -7.595 -2.966) 9.848 6.413 ( 2.442 -4.072 1.070) 4.867 6.753 ( 1.925 -1.471 1.688) 2.953 7.148 ( -0.373 4.187 6.531) 7.767 7.597 ( -1.621 5.880 -2.596) 6.629 8.702 ( -5.342 4.822 1.368) 7.325 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.252 -6.215 2.116) 6.570 2.455 ( 9.561 -15.862 -1.897) 18.618 3.401 ( 1.061 -5.289 2.413) 5.910 3.949 ( 7.596 -4.009 1.741) 8.764 4.754 ( 2.523 -4.276 1.559) 5.204 4.972 ( -0.855 -5.574 -5.297) 7.737 6.142 ( 6.173 -6.097 -2.599) 9.057 6.445 ( 4.588 -3.423 2.466) 6.233 6.781 ( 3.427 -3.573 0.219) 4.956 7.202 ( -0.026 3.352 7.017) 7.776 7.610 ( -3.129 6.906 -3.099) 8.191 8.626 ( -8.989 4.680 1.421) 10.234 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 2.845 -7.025 2.067) 7.856 2.430 ( 8.348 -18.436 -1.333) 20.282 3.401 ( 4.934 -5.719 0.870) 7.604 4.010 ( 4.957 -7.093 0.862) 8.696 4.748 ( 6.654 -11.729 0.881) 13.514 4.943 ( -2.075 5.536 -3.677) 6.963 6.174 ( 4.719 -4.719 -3.154) 7.382 6.499 ( 4.157 -3.319 2.728) 5.978 6.775 ( 1.446 -6.915 0.339) 7.073 7.266 ( 0.980 3.070 6.137) 6.932 7.602 ( -5.040 7.556 -3.813) 9.850 8.533 ( -7.252 5.040 3.229) 9.404 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 0.000 -7.461 1.863) 7.690 2.231 ( -0.000 -13.023 -0.636) 13.039 3.420 ( 0.000 -7.042 5.982) 9.240 3.765 ( 0.000 -2.996 0.758) 3.090 4.710 ( -0.000 -8.214 -0.368) 8.222 4.994 ( -0.000 -4.589 -5.891) 7.467 5.975 ( -0.000 -7.910 -1.099) 7.986 6.371 ( 0.000 -1.177 0.735) 1.388 6.724 ( 0.000 -2.070 0.832) 2.231 7.204 ( 0.000 2.141 6.691) 7.025 7.668 ( -0.000 7.190 -2.131) 7.499 8.806 ( 0.000 5.627 0.543) 5.653 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -0.461 -10.864 0.705) 10.897 2.148 ( 6.248 -16.965 -2.040) 18.193 3.331 ( -0.645 -11.654 3.947) 12.321 3.798 ( 6.049 -3.381 1.174) 7.029 4.577 ( 2.381 -18.295 -2.276) 18.589 4.996 ( -1.035 6.933 -2.004) 7.290 5.958 ( 6.232 -7.009 0.347) 9.385 6.387 ( 1.454 0.893 1.333) 2.165 6.713 ( 1.119 -2.702 -0.581) 2.982 7.240 ( 0.366 0.306 6.677) 6.694 7.721 ( -1.973 8.202 -2.076) 8.688 8.812 ( -5.774 5.636 0.198) 8.071 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 2.686 -12.504 0.546) 12.801 2.088 ( 8.750 -19.273 -2.322) 21.293 3.239 ( 4.164 -13.839 2.877) 14.735 3.867 ( 5.393 -5.105 0.744) 7.463 4.468 ( 7.095 -17.359 -1.824) 18.842 5.045 ( -2.137 8.855 -1.936) 9.312 6.020 ( 7.038 -5.384 0.161) 8.863 6.438 ( 2.155 1.142 2.019) 3.166 6.694 ( 0.863 -4.444 -1.342) 4.722 7.277 ( 1.751 -0.137 5.427) 5.704 7.746 ( -3.903 8.563 -2.406) 9.714 8.741 ( -8.705 5.630 2.124) 10.583 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -0.000 -16.075 -1.366) 16.133 1.910 ( -0.000 -18.505 -2.333) 18.652 3.189 ( 0.000 -20.714 2.003) 20.810 3.715 ( 0.000 -2.706 1.012) 2.889 4.362 ( -0.000 -18.439 -2.123) 18.561 5.089 ( 0.000 9.488 0.088) 9.488 5.836 ( 0.000 -6.606 2.669) 7.125 6.408 ( 0.000 4.021 1.408) 4.261 6.678 ( -0.000 -2.102 -1.648) 2.671 7.248 ( 0.000 -2.226 6.703) 7.063 7.818 ( -0.000 9.009 -1.618) 9.153 8.918 ( -0.000 5.841 -1.284) 5.980 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 2.292 -20.604 -3.005) 20.948 1.766 ( 5.365 -18.332 -1.905) 19.196 2.981 ( 4.084 -25.990 0.764) 26.320 3.737 ( 4.558 -3.303 0.553) 5.657 4.210 ( 2.760 -15.684 -0.998) 15.956 5.167 ( -1.884 9.284 -0.048) 9.473 5.849 ( 6.515 -5.371 3.546) 9.158 6.461 ( -0.043 5.077 1.726) 5.363 6.651 ( -0.172 -2.210 -2.541) 3.372 7.251 ( 1.282 -3.235 6.029) 6.961 7.882 ( -2.385 9.079 -1.639) 9.529 8.923 ( -5.218 5.704 -0.722) 7.764 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -0.000 -22.398 -3.807) 22.720 1.510 ( -0.000 -21.991 -3.600) 22.284 2.625 ( -0.000 -35.548 -1.684) 35.587 3.673 ( 0.000 -2.225 0.848) 2.382 4.051 ( -0.000 -12.732 -0.044) 12.732 5.278 ( 0.000 8.632 1.326) 8.733 5.751 ( 0.000 -4.908 5.311) 7.232 6.529 ( 0.000 6.279 1.747) 6.517 6.630 ( -0.000 -0.902 -3.234) 3.357 7.222 ( 0.000 -4.386 6.586) 7.913 7.987 ( -0.000 8.939 -1.484) 9.061 9.016 ( -0.000 5.439 -2.503) 5.987 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 0.000 -0.000 22.304) 22.304 0.475 ( 0.000 -0.000 22.304) 22.304 0.766 ( 0.000 -0.000 36.452) 36.452 3.599 ( -0.000 0.000 -0.906) 0.906 3.599 ( -0.000 0.000 -0.906) 0.906 5.595 ( -0.000 0.000 -3.860) 3.860 5.595 ( -0.000 0.000 -3.860) 3.860 6.205 ( -0.000 0.000 -10.178) 10.178 6.653 ( 0.000 -0.000 2.713) 2.713 6.653 ( 0.000 -0.000 2.713) 2.713 8.358 ( 0.000 -0.000 6.068) 6.068 9.054 ( -0.000 0.000 -1.675) 1.675 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 12.604 7.277 15.020) 20.914 0.722 ( 11.106 6.412 18.846) 22.795 1.259 ( 27.459 15.853 19.105) 37.017 3.607 ( 0.889 0.513 -0.957) 1.403 3.662 ( 5.409 3.123 -1.151) 6.351 5.554 ( -1.388 -0.802 -1.321) 2.078 5.657 ( 4.382 2.530 -2.688) 5.730 6.562 ( 15.169 8.758 -18.297) 25.330 6.624 ( -2.169 -1.252 2.238) 3.359 6.738 ( 6.110 3.528 -9.112) 11.524 8.332 ( -4.023 -2.323 6.228) 7.769 9.053 ( -1.795 -1.036 -4.659) 5.099 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 16.773 9.684 7.854) 20.899 1.067 ( 14.318 8.266 9.932) 19.287 1.951 ( 28.308 16.343 4.918) 33.055 3.633 ( 1.685 0.973 -0.924) 2.154 3.847 ( 10.886 6.285 2.164) 12.756 5.496 ( -3.387 -1.955 0.134) 3.913 5.771 ( 6.116 3.531 -1.415) 7.202 6.575 ( -2.560 -1.478 1.484) 3.307 6.666 ( -2.017 -1.165 1.264) 2.650 6.908 ( 13.500 7.794 -18.156) 23.930 8.225 ( -6.878 -3.971 5.757) 9.809 8.921 ( -7.770 -4.486 -7.104) 11.444 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 14.414 8.322 1.929) 16.755 1.473 ( 16.979 9.803 3.494) 19.915 2.548 ( 23.908 13.803 -3.273) 27.800 3.677 ( 2.400 1.386 -0.771) 2.877 4.158 ( 14.542 8.396 5.988) 17.828 5.407 ( -4.643 -2.681 1.719) 5.630 5.917 ( 6.599 3.810 0.299) 7.626 6.529 ( -1.390 -0.802 0.122) 1.610 6.585 ( -4.218 -2.435 0.885) 4.950 7.152 ( 10.584 6.111 -9.131) 15.256 8.077 ( -7.541 -4.354 6.137) 10.654 8.675 ( -10.341 -5.970 -11.006) 16.239 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 12.304 7.104 -3.352) 14.597 1.846 ( 14.991 8.655 0.828) 17.330 3.024 ( 19.639 11.338 -5.284) 23.284 3.735 ( 2.782 1.606 -0.540) 3.257 4.504 ( 13.153 7.594 6.055) 16.351 5.301 ( -5.453 -3.148 3.910) 7.411 6.057 ( 4.949 2.857 2.784) 6.356 6.514 ( -1.916 -1.106 1.565) 2.710 6.527 ( 1.791 1.034 -2.085) 2.937 7.272 ( 1.764 1.019 -7.095) 7.381 7.916 ( -9.746 -5.627 6.495) 12.993 8.451 ( -3.634 -2.098 -11.847) 12.569 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 8.880 5.127 -5.311) 11.547 2.151 ( 11.622 6.710 -0.473) 13.429 3.413 ( 16.103 9.297 -4.936) 19.238 3.795 ( 2.564 1.480 -0.323) 2.978 4.759 ( 7.416 4.282 3.001) 9.074 5.189 ( -5.763 -3.327 6.392) 9.227 6.149 ( 1.967 1.136 4.666) 5.189 6.522 ( 2.184 1.261 1.283) 2.829 6.600 ( 5.168 2.984 -3.756) 7.051 7.212 ( -3.550 -2.049 -7.170) 8.258 7.647 ( -14.145 -8.166 1.827) 16.435 8.463 ( 5.519 3.187 -5.039) 8.125 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 5.512 3.182 -4.689) 7.905 2.367 ( 7.565 4.368 -0.666) 8.761 3.712 ( 11.635 6.717 -6.978) 15.139 3.844 ( 1.735 1.002 -0.176) 2.011 4.837 ( -1.271 -0.734 -1.332) 1.982 5.114 ( -2.326 -1.343 10.531) 10.868 6.185 ( 0.067 0.038 4.576) 4.577 6.617 ( 5.868 3.388 -0.121) 6.777 6.713 ( 5.398 3.117 -3.602) 7.199 7.104 ( -3.892 -2.247 -7.293) 8.567 7.351 ( -11.242 -6.491 3.211) 13.373 8.588 ( 5.438 3.140 -2.088) 6.617 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 3.271 1.889 -2.899) 4.762 2.488 ( 3.155 1.821 -0.187) 3.648 3.870 ( 0.522 0.302 -0.142) 0.620 3.870 ( 4.588 2.649 -11.776) 12.912 4.750 ( -3.666 -2.116 -1.814) 4.605 5.137 ( -0.389 -0.225 12.651) 12.659 6.186 ( -1.263 -0.729 3.508) 3.799 6.781 ( 8.463 4.886 -0.551) 9.787 6.802 ( 3.025 1.746 -2.668) 4.395 6.938 ( -8.310 -4.798 -8.236) 12.646 7.231 ( -1.014 -0.586 7.715) 7.804 8.672 ( 2.392 1.381 -1.794) 3.293 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 1.677 0.968 -0.803) 2.096 2.507 ( -1.595 -0.921 0.525) 1.915 3.842 ( -2.722 -1.571 -12.867) 13.245 3.866 ( -0.782 -0.452 -0.292) 0.950 4.714 ( 1.182 0.683 -2.204) 2.592 5.139 ( -3.738 -2.158 11.691) 12.462 6.151 ( -2.612 -1.508 2.008) 3.623 6.709 ( -8.765 -5.060 -5.038) 11.305 6.827 ( -0.150 -0.087 -1.502) 1.512 6.998 ( 10.093 5.827 -1.639) 11.769 7.298 ( 3.891 2.246 7.639) 8.862 8.691 ( 0.120 0.070 -1.034) 1.044 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -1.613 -0.931 1.095) 2.161 2.416 ( -6.749 -3.897 1.162) 7.880 3.699 ( -6.149 -3.550 -8.011) 10.704 3.834 ( -1.848 -1.067 -0.587) 2.214 4.770 ( 4.070 2.350 -4.388) 6.430 5.028 ( -8.924 -5.153 8.188) 13.162 6.082 ( -3.745 -2.162 0.129) 4.326 6.517 ( -6.369 -3.677 -3.986) 8.365 6.790 ( -2.634 -1.521 -0.150) 3.046 7.203 ( 7.781 4.492 -1.982) 9.200 7.442 ( 6.624 3.824 5.191) 9.244 8.695 ( 0.716 0.413 1.928) 2.098 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -7.871 -4.544 2.130) 9.335 2.207 ( -12.038 -6.950 1.644) 13.998 3.509 ( -9.726 -5.615 -2.088) 11.423 3.782 ( -2.386 -1.378 -0.832) 2.878 4.703 ( -13.327 -7.694 0.540) 15.398 4.947 ( 5.109 2.949 -1.923) 6.204 5.985 ( -4.425 -2.555 -2.037) 5.500 6.411 ( -1.628 -0.940 -2.923) 3.475 6.719 ( -3.438 -1.985 1.314) 4.181 7.316 ( 2.799 1.616 -3.723) 4.930 7.620 ( 7.720 4.457 2.099) 9.158 8.756 ( 3.651 2.108 5.346) 6.809 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -16.588 -9.577 2.289) 19.290 1.887 ( -14.589 -8.423 2.597) 17.045 3.193 ( -19.131 -11.045 1.005) 22.113 3.725 ( -2.352 -1.358 -0.897) 2.860 4.351 ( -15.404 -8.894 -0.040) 17.788 5.104 ( 8.225 4.749 -2.824) 9.908 5.870 ( -4.671 -2.697 -4.063) 6.753 6.426 ( 3.414 1.971 -2.095) 4.465 6.656 ( -2.462 -1.421 2.572) 3.834 7.309 ( -1.735 -1.002 -5.249) 5.619 7.804 ( 7.942 4.585 1.026) 9.227 8.883 ( 5.423 3.131 5.412) 8.277 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.000 17.121 16.291) 23.634 0.813 ( 0.000 15.241 15.710) 21.888 1.299 ( 0.000 27.158 21.671) 34.745 3.598 ( -0.000 0.705 -1.161) 1.358 3.665 ( -0.000 6.542 -1.454) 6.702 5.542 ( -0.000 0.319 -5.054) 5.064 5.552 ( 0.000 -4.225 0.154) 4.228 6.527 ( -0.000 21.848 -21.959) 30.977 6.675 ( -0.000 1.860 -3.650) 4.096 6.685 ( 0.000 0.039 3.230) 3.230 8.353 ( 0.000 -5.019 6.682) 8.357 9.067 ( -0.000 1.249 -4.852) 5.010 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 4.632 16.523 12.834) 21.428 1.073 ( 5.795 17.319 11.458) 21.560 1.795 ( 16.013 27.028 8.556) 32.560 3.623 ( 1.608 1.786 -1.032) 2.615 3.776 ( 5.392 8.315 0.604) 9.928 5.495 ( -0.967 -4.649 -0.320) 4.760 5.638 ( 9.379 0.500 -3.605) 10.061 6.613 ( -2.319 -1.527 1.164) 3.010 6.684 ( -0.230 1.228 1.640) 2.062 6.756 ( 7.565 12.848 -19.859) 24.832 8.282 ( -3.608 -7.030 6.222) 10.057 8.996 ( -6.307 -1.635 -6.153) 8.962 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 7.451 13.981 8.283) 17.878 1.406 ( 9.573 17.548 4.839) 20.567 2.346 ( 18.163 21.852 -1.817) 28.473 3.671 ( 1.374 3.464 -1.039) 3.869 4.027 ( 12.355 9.264 4.691) 16.139 5.420 ( -1.819 -5.713 0.757) 6.043 5.811 ( 9.631 3.033 -2.252) 10.345 6.551 ( -2.380 -2.680 0.679) 3.648 6.639 ( -3.527 -1.168 1.201) 3.905 6.997 ( 11.145 9.724 -11.612) 18.804 8.149 ( -5.349 -7.663 5.953) 11.080 8.787 ( -11.595 -3.715 -8.786) 15.015 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 8.259 11.428 0.553) 14.111 1.759 ( 10.500 16.022 2.623) 19.335 2.824 ( 17.229 16.762 -5.201) 24.594 3.731 ( 1.387 4.594 -0.958) 4.893 4.370 ( 14.028 8.611 5.969) 17.509 5.329 ( -2.490 -6.371 2.482) 7.277 5.998 ( 7.768 4.954 -0.142) 9.215 6.495 ( -0.703 -2.802 -0.074) 2.890 6.583 ( -3.297 1.854 1.091) 3.936 7.190 ( 6.600 2.920 -7.966) 10.749 8.006 ( -5.543 -7.523 7.143) 11.762 8.511 ( -10.813 -2.551 -11.339) 15.874 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 7.559 8.294 -3.552) 11.770 2.081 ( 8.820 14.253 0.966) 16.789 3.230 ( 15.342 12.380 -4.441) 20.208 3.802 ( 1.286 5.776 -0.880) 5.983 4.670 ( 10.090 5.573 3.761) 12.125 5.229 ( -2.927 -6.802 4.482) 8.656 6.157 ( 3.810 5.587 2.806) 7.322 6.485 ( 2.117 -1.169 -0.764) 2.536 6.585 ( -0.054 4.557 -0.550) 4.590 7.208 ( -0.923 -2.002 -7.834) 8.139 7.802 ( -12.029 -8.888 3.796) 15.430 8.394 ( 1.879 1.728 -6.442) 6.929 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 5.717 5.406 -4.368) 8.999 2.338 ( 5.560 12.285 0.148) 13.485 3.543 ( 11.555 6.470 -4.213) 13.897 3.884 ( 0.776 8.469 -1.504) 8.636 4.825 ( 2.632 1.135 0.106) 2.868 5.140 ( -1.296 -5.998 7.556) 9.734 6.250 ( -0.943 5.947 4.528) 7.534 6.540 ( 5.020 0.800 -1.678) 5.353 6.662 ( 3.551 5.004 -1.951) 6.439 7.118 ( -3.055 -2.270 -7.510) 8.420 7.503 ( -13.010 -7.079 2.146) 14.966 8.491 ( 7.016 1.291 -1.896) 7.381 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 3.787 3.296 -3.525) 6.135 2.509 ( 1.463 10.125 0.187) 10.232 3.704 ( 6.053 -0.893 -5.088) 7.958 3.977 ( -1.000 11.276 -4.652) 12.239 4.782 ( -3.821 -2.926 -2.463) 5.406 5.149 ( 2.528 -2.898 11.755) 12.368 6.278 ( -4.152 5.969 4.027) 8.312 6.655 ( 7.569 1.493 -2.628) 8.150 6.771 ( 4.312 4.290 -1.060) 6.174 6.999 ( -6.132 -2.758 -8.135) 10.555 7.299 ( -5.677 -2.159 5.991) 8.531 8.598 ( 5.447 -1.081 -1.530) 5.761 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 2.491 1.721 -2.153) 3.715 2.585 ( -3.142 7.722 0.732) 8.368 3.719 ( 2.044 -4.956 -6.677) 8.563 4.007 ( -5.169 9.294 -6.837) 12.643 4.704 ( -0.982 -1.147 -1.760) 2.319 5.194 ( -0.049 -2.666 12.442) 12.725 6.255 ( -6.077 4.793 2.744) 8.212 6.767 ( 2.401 -0.931 -3.898) 4.672 6.803 ( -5.447 -3.255 -2.858) 6.959 6.918 ( 6.012 7.001 -2.149) 9.475 7.292 ( 1.425 1.024 6.997) 7.213 8.641 ( 3.097 -3.190 -1.737) 4.773 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.818 -0.358 -0.759) 1.172 2.555 ( -8.205 4.760 1.406) 9.590 3.648 ( -0.492 -6.406 -7.220) 9.665 3.958 ( -6.910 6.632 -4.257) 10.481 4.717 ( 2.765 1.424 -2.800) 4.185 5.149 ( -6.293 -4.267 10.167) 12.696 6.186 ( -7.146 2.939 1.277) 7.832 6.600 ( -8.345 -2.198 -3.918) 9.477 6.805 ( -0.309 -0.438 -0.749) 0.921 7.112 ( 8.209 6.185 -2.476) 10.572 7.385 ( 5.110 1.549 6.143) 8.139 8.649 ( 2.962 -3.777 -0.234) 4.806 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -3.420 -3.348 0.171) 4.789 2.404 ( -13.485 0.767 1.911) 13.641 3.538 ( -3.069 -6.115 -4.570) 8.228 3.886 ( -6.886 4.767 -1.839) 8.574 4.780 ( 1.574 1.455 -3.786) 4.351 4.970 ( -9.699 -5.377 6.366) 12.787 6.085 ( -7.491 1.767 -0.208) 7.699 6.456 ( -5.534 0.052 -2.932) 6.263 6.766 ( -3.225 -0.557 0.385) 3.296 7.262 ( 4.712 3.172 -4.265) 7.103 7.530 ( 7.580 2.029 3.721) 8.685 8.690 ( 5.429 -2.535 2.579) 6.523 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -10.055 -5.792 0.725) 11.627 2.126 ( -18.086 -3.525 2.315) 18.571 3.361 ( -10.493 -6.982 -1.836) 12.737 3.808 ( -6.269 3.421 -0.822) 7.189 4.559 ( -17.639 -6.983 1.181) 19.007 4.991 ( 7.788 2.638 -0.938) 8.276 5.969 ( -7.769 2.006 -1.894) 8.244 6.406 ( -0.256 1.832 -2.190) 2.867 6.702 ( -3.540 -0.868 1.599) 3.980 7.302 ( 0.149 0.356 -5.457) 5.471 7.700 ( 8.635 2.430 1.826) 9.155 8.797 ( 7.601 -1.296 3.233) 8.361 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.000 17.740 9.142) 19.957 1.247 ( 0.000 18.190 11.300) 21.414 1.997 ( 0.000 32.393 6.226) 32.986 3.611 ( -0.000 1.506 -1.239) 1.950 3.834 ( 0.000 11.002 0.851) 11.035 5.448 ( 0.000 -6.447 0.790) 6.496 5.551 ( -0.000 3.866 -3.768) 5.399 6.607 ( -0.000 -4.467 -0.150) 4.469 6.698 ( 0.000 -0.668 2.448) 2.538 6.777 ( -0.000 15.757 -16.597) 22.886 8.251 ( 0.000 -9.420 5.712) 11.017 9.019 ( -0.000 -1.971 -6.660) 6.946 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 2.155 16.981 8.935) 19.309 1.480 ( 4.733 17.615 5.112) 18.943 2.378 ( 6.815 28.564 -1.651) 29.412 3.660 ( 3.320 2.612 -1.096) 4.364 3.995 ( 4.822 12.636 3.615) 14.000 5.379 ( -0.674 -7.130 1.306) 7.280 5.670 ( 8.709 5.023 -2.288) 10.311 6.545 ( -1.213 -5.172 0.133) 5.314 6.683 ( -1.708 -0.355 1.397) 2.234 6.920 ( 5.516 11.689 -11.129) 17.056 8.146 ( -2.563 -10.358 5.047) 11.804 8.901 ( -7.848 -2.998 -8.009) 11.608 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 2.601 13.463 2.485) 13.936 1.791 ( 7.950 18.287 4.188) 20.375 2.758 ( 10.182 21.951 -5.552) 24.827 3.746 ( 2.760 4.664 -1.233) 5.558 4.268 ( 10.359 11.849 5.059) 16.532 5.295 ( -1.209 -7.815 2.494) 8.292 5.892 ( 10.383 6.507 -0.738) 12.276 6.478 ( -0.991 -4.265 0.556) 4.413 6.656 ( -2.284 1.665 0.645) 2.899 7.083 ( 6.482 4.971 -7.855) 11.333 8.013 ( -3.039 -9.878 5.546) 11.729 8.661 ( -12.476 -2.484 -9.634) 15.957 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 3.823 10.133 -1.625) 10.952 2.116 ( 7.422 18.011 2.745) 19.673 3.118 ( 11.950 15.825 -4.247) 20.280 3.839 ( 2.076 6.914 -1.218) 7.321 4.567 ( 10.250 8.252 2.885) 13.471 5.203 ( -1.600 -8.261 3.811) 9.237 6.125 ( 8.172 7.638 1.284) 11.259 6.441 ( 0.694 -2.228 -0.256) 2.347 6.652 ( -1.617 4.444 -0.033) 4.729 7.151 ( 2.211 -1.293 -7.585) 8.006 7.876 ( -5.282 -9.848 5.587) 12.494 8.428 ( -7.610 0.572 -8.120) 11.144 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 4.085 7.168 -2.965) 8.766 2.403 ( 4.869 17.059 1.615) 17.814 3.427 ( 10.113 9.376 -2.313) 13.983 3.952 ( 2.041 10.254 -1.562) 10.571 4.773 ( 5.946 3.760 0.250) 7.040 5.105 ( -1.398 -8.693 4.675) 9.969 6.313 ( 3.708 7.480 3.990) 9.253 6.463 ( 3.604 0.427 -2.725) 4.539 6.688 ( -0.274 5.990 -0.533) 6.019 7.105 ( -1.113 -2.659 -7.658) 8.183 7.649 ( -11.239 -8.224 2.364) 14.126 8.395 ( 3.384 0.758 -2.242) 4.129 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 3.235 4.824 -2.794) 6.446 2.622 ( 1.204 15.557 1.268) 15.655 3.608 ( 5.036 2.579 -2.270) 6.096 4.090 ( 0.639 13.423 -3.696) 13.937 4.809 ( -3.022 -1.465 -2.710) 4.316 5.070 ( 4.940 -6.454 8.269) 11.595 6.414 ( -1.046 6.156 3.183) 7.009 6.555 ( 5.405 3.811 -2.734) 7.156 6.749 ( 1.871 3.734 0.115) 4.178 7.033 ( -2.781 -0.352 -7.664) 8.160 7.412 ( -8.919 -4.073 3.443) 10.392 8.474 ( 5.926 -2.264 -0.543) 6.367 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 2.079 2.993 -2.174) 4.244 2.754 ( -3.218 13.597 1.648) 14.069 3.645 ( 0.694 -2.021 -3.807) 4.366 4.171 ( -4.485 11.969 -6.999) 14.573 4.711 ( -2.715 -2.332 -1.880) 4.043 5.154 ( 5.541 -4.239 10.385) 12.511 6.422 ( -5.103 4.796 0.958) 7.068 6.686 ( 5.449 4.584 -1.204) 7.222 6.819 ( 2.379 -0.765 0.428) 2.535 6.944 ( -4.622 3.978 -5.974) 8.537 7.320 ( -1.703 0.045 4.890) 5.178 8.525 ( 4.595 -5.216 -1.124) 7.042 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.900 1.154 -1.532) 2.119 2.783 ( -8.441 10.612 2.289) 13.751 3.587 ( -1.233 -4.302 -5.195) 6.856 4.137 ( -7.568 8.178 -6.158) 12.731 4.687 ( 1.127 0.551 -1.571) 2.010 5.201 ( -0.113 -4.099 9.336) 10.196 6.350 ( -7.342 2.329 0.369) 7.711 6.728 ( -7.840 -0.473 -2.725) 8.314 6.797 ( 1.810 4.343 0.171) 4.708 7.028 ( 6.895 5.584 -2.760) 9.292 7.352 ( 2.246 0.806 4.994) 5.535 8.531 ( 4.060 -6.724 -1.043) 7.923 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -1.394 -1.037 -1.087) 2.049 2.680 ( -14.076 5.587 2.385) 15.331 3.508 ( -1.362 -3.730 -3.988) 5.627 4.057 ( -7.767 5.838 -3.348) 10.277 4.734 ( 3.403 2.198 -2.441) 4.730 5.112 ( -8.322 -5.166 6.548) 11.783 6.237 ( -7.700 1.089 0.651) 7.803 6.582 ( -8.514 1.847 -2.571) 9.083 6.827 ( -2.734 3.154 0.519) 4.206 7.185 ( 6.482 3.761 -5.220) 9.133 7.440 ( 5.583 0.307 4.747) 7.335 8.550 ( 6.181 -5.997 0.413) 8.622 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -5.851 -2.933 -0.906) 6.608 2.435 ( -18.652 0.319 2.144) 18.778 3.425 ( -4.469 -2.812 -2.289) 5.755 3.966 ( -7.671 4.144 -1.538) 8.853 4.771 ( -7.684 -0.616 -1.763) 7.908 4.925 ( -2.177 -2.086 3.892) 4.923 6.124 ( -7.450 1.902 0.847) 7.736 6.471 ( -5.669 2.629 -2.628) 6.779 6.778 ( -5.169 0.950 0.782) 5.313 7.270 ( 2.671 1.605 -6.116) 6.864 7.578 ( 8.235 0.591 3.261) 8.877 8.630 ( 8.759 -4.550 0.650) 9.892 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.000 17.420 4.004) 17.875 1.638 ( 0.000 15.302 5.134) 16.140 2.605 ( -0.000 27.873 -4.540) 28.241 3.641 ( -0.000 2.310 -1.037) 2.532 4.116 ( 0.000 15.763 4.942) 16.519 5.317 ( 0.000 -7.854 2.433) 8.222 5.649 ( -0.000 7.621 -0.713) 7.654 6.501 ( 0.000 -5.573 0.770) 5.626 6.694 ( 0.000 -0.728 0.688) 1.001 6.952 ( -0.000 10.144 -9.112) 13.635 8.073 ( 0.000 -11.478 3.876) 12.114 8.912 ( -0.000 -3.395 -8.491) 9.144 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 0.084 12.205 0.690) 12.225 1.858 ( 6.064 17.210 2.974) 18.488 2.858 ( 2.775 22.596 -6.588) 23.700 3.708 ( 4.645 3.044 -1.094) 5.660 4.320 ( 2.633 16.724 5.605) 17.833 5.242 ( -0.680 -8.122 3.624) 8.920 5.804 ( 7.744 8.804 0.882) 11.759 6.450 ( -0.461 -4.421 1.554) 4.709 6.686 ( -0.271 0.199 -0.383) 0.510 7.031 ( 2.681 5.422 -7.089) 9.319 7.960 ( -1.282 -10.975 3.501) 11.591 8.781 ( -7.589 -2.985 -9.134) 12.245 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 1.079 9.205 -2.040) 9.490 2.167 ( 8.607 17.257 2.256) 19.416 3.110 ( 6.422 16.749 -4.438) 18.479 3.830 ( 5.405 4.599 -1.272) 7.210 4.549 ( 4.456 13.110 2.717) 14.111 5.162 ( -1.343 -7.462 4.654) 8.896 6.056 ( 9.782 9.368 2.117) 13.709 6.415 ( -0.082 -2.388 1.099) 2.630 6.697 ( 0.478 2.535 -1.155) 2.826 7.078 ( 2.103 -0.331 -6.471) 6.812 7.846 ( -1.617 -10.121 4.012) 11.007 8.567 ( -10.438 -0.844 -8.277) 13.348 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 2.411 7.023 -2.531) 7.845 2.483 ( 7.244 17.181 1.670) 18.720 3.365 ( 8.071 10.612 -1.222) 13.389 3.978 ( 5.613 7.722 -0.952) 9.594 4.725 ( 4.489 6.331 -0.470) 7.775 5.076 ( -2.902 -6.292 3.969) 7.985 6.306 ( 7.260 8.184 4.197) 11.717 6.414 ( 1.666 0.429 -1.674) 2.400 6.745 ( 0.818 5.241 -1.439) 5.496 7.055 ( 0.490 -3.057 -6.555) 7.249 7.710 ( -5.008 -9.458 2.791) 11.060 8.407 ( -4.931 0.982 -3.983) 6.415 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 2.620 5.256 -1.997) 6.203 2.750 ( 3.806 16.575 1.416) 17.065 3.554 ( 5.136 4.306 -0.030) 6.702 4.168 ( 5.153 11.976 -1.162) 13.089 4.828 ( 2.364 2.326 -1.773) 3.761 4.961 ( -2.273 -8.049 3.116) 8.925 6.423 ( 2.411 0.980 0.130) 2.605 6.531 ( 5.422 7.864 1.362) 9.649 6.790 ( -1.367 3.882 -1.091) 4.258 7.028 ( 1.134 0.842 -6.285) 6.441 7.521 ( -7.854 -6.136 1.748) 10.119 8.381 ( 1.690 -1.380 -0.223) 2.193 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 1.792 3.665 -1.455) 4.332 2.942 ( -0.488 15.345 1.875) 15.467 3.618 ( 0.522 -0.560 -1.003) 1.261 4.335 ( -1.011 13.706 -4.276) 14.393 4.751 ( -6.311 -1.954 -2.896) 7.213 4.994 ( 9.794 -6.554 6.634) 13.524 6.469 ( 1.606 1.086 -2.305) 3.012 6.692 ( 3.528 7.322 2.603) 8.534 6.774 ( -0.231 -1.214 -0.278) 1.266 7.051 ( -2.234 7.196 -5.260) 9.189 7.377 ( -4.308 -1.914 2.713) 5.439 8.397 ( 3.351 -5.185 0.115) 6.175 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.614 2.113 -1.166) 2.490 3.040 ( -5.964 13.102 2.835) 14.672 3.568 ( -2.370 -3.635 -2.741) 5.133 4.342 ( -8.774 9.808 -6.081) 14.497 4.676 ( -0.201 -0.211 -0.893) 0.940 5.119 ( 7.629 -5.314 6.621) 11.414 6.455 ( -3.544 0.289 -1.195) 3.751 6.750 ( 0.045 -0.130 -2.929) 2.932 6.839 ( 4.296 2.960 3.608) 6.343 7.055 ( -4.075 9.956 -3.240) 11.235 7.353 ( 0.162 0.483 2.706) 2.753 8.389 ( 3.452 -7.562 -0.384) 8.321 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -0.865 0.554 -1.143) 1.537 2.990 ( -13.216 7.257 2.679) 15.314 3.491 ( -1.219 -2.294 -2.169) 3.384 4.245 ( -9.070 6.181 -3.274) 11.454 4.702 ( 2.076 1.830 -1.252) 3.038 5.155 ( -0.052 -5.186 3.982) 6.539 6.364 ( -6.519 0.065 0.879) 6.578 6.700 ( -4.287 -0.247 -3.173) 5.339 6.924 ( -0.470 4.158 1.703) 4.518 7.116 ( 2.335 7.060 -4.447) 8.665 7.385 ( 2.391 -0.516 3.303) 4.110 8.385 ( 5.158 -6.858 0.015) 8.581 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -3.393 -0.695 -1.455) 3.757 2.763 ( -17.959 0.636 1.545) 18.036 3.462 ( -1.847 0.691 -0.096) 1.974 4.137 ( -8.643 3.806 -1.278) 9.530 4.771 ( 3.782 2.802 -1.174) 4.851 5.037 ( -8.406 -5.216 1.915) 10.077 6.260 ( -6.625 0.909 2.487) 7.134 6.597 ( -6.627 1.313 -2.991) 7.389 6.897 ( -5.984 1.399 -0.125) 6.147 7.208 ( 3.875 3.496 -6.471) 8.313 7.462 ( 6.423 -1.192 4.124) 7.725 8.440 ( 7.570 -4.409 -0.211) 8.763 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -0.000 9.865 -2.052) 10.076 1.957 ( 0.000 15.207 0.372) 15.212 3.020 ( -0.000 18.662 -7.112) 19.971 3.689 ( -0.000 3.137 -0.427) 3.166 4.500 ( 0.000 17.816 5.830) 18.746 5.187 ( 0.000 -7.076 5.152) 8.753 5.835 ( 0.000 10.294 2.609) 10.619 6.422 ( 0.000 -3.184 2.605) 4.114 6.680 ( -0.000 -0.458 -1.558) 1.624 7.034 ( -0.000 3.279 -6.193) 7.008 7.873 ( 0.000 -10.402 2.092) 10.610 8.785 ( -0.000 -3.170 -9.069) 9.607 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -0.491 7.058 -4.074) 8.164 2.177 ( 8.064 14.141 -0.343) 16.282 3.177 ( 2.304 14.009 -4.427) 14.871 3.766 ( 4.919 3.394 -0.541) 6.001 4.666 ( -0.423 12.251 3.100) 12.645 5.147 ( -1.112 -2.523 6.192) 6.779 6.014 ( 6.994 10.551 3.659) 13.177 6.407 ( -0.334 -1.197 2.590) 2.873 6.683 ( 1.623 0.400 -2.369) 2.900 7.035 ( 0.398 -0.347 -5.589) 5.614 7.777 ( -0.625 -9.199 1.661) 9.369 8.672 ( -6.109 -2.031 -8.030) 10.292 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 1.468 5.410 -3.466) 6.590 2.483 ( 10.993 13.844 -0.320) 17.681 3.348 ( 5.133 9.156 -0.532) 10.510 3.909 ( 7.809 4.097 -0.520) 8.834 4.740 ( 0.252 2.616 0.664) 2.711 5.132 ( -4.166 3.578 4.075) 6.838 6.268 ( 8.569 9.302 4.433) 13.402 6.406 ( -0.112 1.068 0.423) 1.154 6.736 ( 3.833 2.559 -2.318) 5.159 7.000 ( -0.164 -3.070 -5.107) 5.961 7.678 ( -1.672 -8.542 1.198) 8.786 8.515 ( -7.530 -0.027 -4.943) 9.007 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 2.583 4.442 -1.947) 5.494 2.796 ( 9.279 13.762 -0.297) 16.600 3.510 ( 5.259 3.915 1.732) 6.781 4.116 ( 10.696 6.084 0.632) 12.321 4.757 ( 2.495 -3.210 0.933) 4.171 5.069 ( -9.228 4.575 -0.952) 10.344 6.407 ( 0.767 1.480 0.624) 1.780 6.513 ( 6.371 7.783 2.539) 10.374 6.825 ( 1.611 3.599 -2.481) 4.658 6.967 ( 3.174 -1.374 -4.066) 5.338 7.556 ( -3.748 -7.084 0.369) 8.023 8.402 ( -4.563 0.082 -1.094) 4.693 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.166 ( 2.196 3.376 -0.921) 4.132 3.053 ( 5.174 13.237 0.156) 14.213 3.594 ( 1.876 -0.754 1.330) 2.419 4.379 ( 9.806 8.933 0.881) 13.294 4.786 ( 6.492 -6.931 2.741) 9.885 4.906 ( -12.541 3.303 -4.295) 13.662 6.442 ( 1.668 2.215 -2.049) 3.448 6.673 ( 4.464 2.571 4.881) 7.096 6.808 ( -2.605 1.130 -3.152) 4.242 7.082 ( 5.733 6.664 -2.930) 9.266 7.431 ( -4.116 -3.808 0.566) 5.636 8.340 ( -1.620 -2.820 0.564) 3.301 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 0.993 2.132 -0.550) 2.415 3.228 ( 0.144 12.084 1.419) 12.168 3.564 ( -2.193 -4.602 -0.387) 5.112 4.560 ( -2.387 11.324 -2.584) 11.857 4.708 ( -7.616 -0.509 -1.735) 7.828 4.896 ( 12.012 -6.999 3.452) 14.325 6.482 ( 0.545 2.226 -1.620) 2.807 6.724 ( 1.259 -2.905 -0.132) 3.168 6.809 ( 1.213 2.701 1.255) 3.216 7.208 ( -0.417 9.624 -2.107) 9.861 7.365 ( -0.953 -0.859 1.140) 1.716 8.286 ( 0.227 -5.755 0.404) 5.774 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -0.384 0.966 -0.612) 1.206 3.263 ( -9.609 5.661 1.832) 11.303 3.479 ( -0.278 -2.536 -0.544) 2.609 4.477 ( -11.899 6.629 -1.569) 13.711 4.688 ( 1.311 1.670 -0.529) 2.188 5.031 ( 8.777 -6.123 0.997) 10.748 6.470 ( -4.330 1.705 1.556) 4.907 6.714 ( 0.337 -0.279 -4.838) 4.857 6.872 ( 4.541 -1.463 1.925) 5.145 7.243 ( -4.336 8.551 -1.363) 9.684 7.364 ( 0.181 -1.113 1.053) 1.543 8.257 ( 2.935 -4.683 0.509) 5.550 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -1.986 0.212 -1.084) 2.272 3.044 ( -15.353 -3.104 0.170) 15.664 3.502 ( 0.007 3.296 2.152) 3.936 4.337 ( -10.671 3.880 0.655) 11.373 4.738 ( 2.691 2.111 0.191) 3.426 5.051 ( 0.558 -5.704 -2.274) 6.166 6.397 ( -6.740 1.888 3.392) 7.778 6.680 ( -3.100 0.819 -3.979) 5.110 6.920 ( 2.217 -3.391 -1.751) 4.414 7.231 ( -3.525 5.039 -3.529) 7.090 7.363 ( 3.365 -3.938 2.815) 5.895 8.307 ( 5.204 -0.202 0.628) 5.245 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -0.000 4.432 -6.041) 7.493 2.218 ( -0.000 11.619 -1.405) 11.704 3.264 ( -0.000 10.036 -2.721) 10.399 3.756 ( 0.000 3.528 0.231) 3.535 4.756 ( 0.000 1.893 2.469) 3.111 5.207 ( 0.000 7.834 6.204) 9.993 6.071 ( 0.000 10.623 4.714) 11.622 6.419 ( 0.000 0.796 3.516) 3.605 6.655 ( -0.000 -0.291 -3.489) 3.501 7.007 ( -0.000 -1.647 -4.941) 5.209 7.702 ( -0.000 -7.681 0.084) 7.682 8.676 ( -0.000 -2.204 -7.000) 7.339 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 0.715 3.342 -4.633) 5.757 2.407 ( 9.657 9.966 -1.717) 13.983 3.360 ( 2.416 6.122 0.456) 6.597 3.832 ( 4.706 3.232 0.200) 5.713 4.742 ( -0.468 -3.698 2.108) 4.282 5.297 ( -3.702 11.361 3.002) 12.321 6.244 ( 6.173 9.189 4.669) 12.014 6.439 ( -0.938 2.664 2.421) 3.720 6.672 ( 3.563 0.464 -2.985) 4.671 6.964 ( -0.612 -2.948 -4.256) 5.213 7.625 ( -0.877 -6.497 -0.896) 6.617 8.598 ( -4.310 -1.131 -4.551) 6.369 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 2.623 3.169 -2.064) 4.602 2.702 ( 13.701 9.221 -1.891) 16.623 3.466 ( 4.171 2.174 3.086) 5.625 3.981 ( 9.234 2.903 0.863) 9.718 4.705 ( 0.262 -4.119 1.732) 4.476 5.297 ( -8.757 9.020 -1.251) 12.634 6.421 ( 1.606 2.469 2.970) 4.183 6.495 ( 4.666 7.896 1.005) 9.227 6.769 ( 6.950 2.159 -1.147) 7.367 6.905 ( -0.612 -3.320 -3.351) 4.757 7.537 ( -2.034 -5.400 -1.541) 5.973 8.494 ( -5.707 -0.064 -1.455) 5.890 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 2.884 2.650 -0.471) 3.945 3.011 ( 12.172 8.801 -2.137) 15.172 3.546 ( 3.065 -1.716 3.297) 4.817 4.213 ( 14.107 2.471 2.623) 14.560 4.685 ( 1.163 -3.524 1.276) 3.925 5.171 ( -13.222 6.118 -3.951) 15.095 6.448 ( 0.168 2.502 -0.791) 2.630 6.646 ( 3.231 2.618 3.963) 5.745 6.843 ( -1.130 1.663 -3.156) 3.742 6.968 ( 11.193 1.942 -0.336) 11.366 7.447 ( -2.523 -3.383 -1.436) 4.458 8.393 ( -5.626 -0.750 0.323) 5.685 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 1.871 1.618 0.044) 2.474 3.259 ( 7.987 7.781 -1.566) 11.260 3.543 ( -0.738 -5.170 1.679) 5.486 4.505 ( 15.541 1.723 2.531) 15.840 4.682 ( 2.222 -3.561 0.805) 4.274 4.966 ( -14.934 4.927 -3.198) 16.048 6.486 ( 1.571 3.148 -1.826) 3.964 6.676 ( 0.556 -3.344 3.710) 5.025 6.843 ( -1.246 2.952 -1.455) 3.519 7.190 ( 9.809 4.226 -0.246) 10.684 7.383 ( -1.955 -0.900 -0.647) 2.248 8.287 ( -4.795 -2.481 0.281) 5.406 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 0.522 0.575 0.000) 0.776 3.426 ( -6.074 -1.592 0.154) 6.281 3.428 ( 4.561 -0.074 -0.155) 4.564 4.681 ( 0.550 0.516 0.027) 0.755 4.758 ( -5.137 -2.265 -0.068) 5.614 4.775 ( 5.802 3.045 0.041) 6.553 6.544 ( 0.612 4.196 0.227) 4.247 6.660 ( 1.245 -3.244 -0.460) 3.505 6.835 ( -0.808 -0.051 0.270) 0.853 7.332 ( 1.396 2.233 -0.236) 2.644 7.355 ( -0.304 -0.639 0.199) 0.735 8.210 ( -0.946 -1.111 0.000) 1.459 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -0.772 0.030 -0.373) 0.858 3.204 ( -10.123 -9.032 -0.474) 13.575 3.534 ( 1.920 4.752 1.546) 5.353 4.574 ( -11.893 2.278 2.128) 12.294 4.714 ( 2.107 -0.515 1.181) 2.469 4.915 ( 6.979 -2.705 -4.027) 8.499 6.547 ( -5.997 3.305 4.615) 8.258 6.673 ( 3.237 -0.196 -6.026) 6.843 6.833 ( 1.819 -2.459 0.240) 3.068 7.296 ( -2.142 -6.721 0.204) 7.057 7.324 ( -2.596 0.638 -0.529) 2.725 8.257 ( 3.834 4.388 0.600) 5.858 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -0.000 2.127 -3.934) 4.472 2.396 ( -0.000 7.503 -1.396) 7.632 3.389 ( 0.000 3.082 2.321) 3.859 3.822 ( 0.000 2.772 0.402) 2.801 4.708 ( 0.000 -4.934 2.431) 5.501 5.453 ( 0.000 10.927 0.398) 10.935 6.286 ( 0.000 7.229 3.738) 8.138 6.496 ( 0.000 4.028 3.960) 5.649 6.629 ( -0.000 0.432 -3.146) 3.176 6.927 ( -0.000 -2.932 -3.590) 4.635 7.573 ( -0.000 -4.570 -2.365) 5.146 8.609 ( -0.000 -1.139 -2.834) 3.054 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 1.880 2.449 -1.191) 3.309 2.549 ( 10.396 5.649 -1.426) 11.917 3.437 ( 2.127 0.589 4.389) 4.913 3.887 ( 4.728 1.941 0.602) 5.146 4.672 ( 0.016 -3.614 2.064) 4.162 5.496 ( -5.122 7.182 -2.797) 9.255 6.393 ( 4.572 2.586 1.089) 5.364 6.538 ( -0.363 5.607 2.323) 6.080 6.677 ( 4.579 0.977 0.940) 4.776 6.883 ( -0.788 -1.938 -3.063) 3.709 7.516 ( -1.277 -2.975 -3.124) 4.499 8.566 ( -3.242 -0.304 -0.537) 3.300 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 2.866 2.327 0.576) 3.736 2.820 ( 15.377 4.168 -2.217) 16.085 3.491 ( 2.564 -1.795 4.828) 5.754 4.030 ( 9.830 0.938 2.111) 10.098 4.654 ( 0.350 -1.839 1.463) 2.376 5.406 ( -9.616 3.572 -4.857) 11.350 6.449 ( 1.563 -0.768 -0.598) 1.841 6.648 ( 2.705 6.140 2.002) 7.002 6.780 ( 8.774 -3.278 2.036) 9.585 6.865 ( 0.085 3.128 -1.546) 3.490 7.454 ( -2.081 -1.319 -3.050) 3.921 8.491 ( -5.571 -0.012 0.782) 5.625 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 2.382 1.229 0.935) 2.839 3.102 ( 14.285 1.625 -2.928) 14.672 3.507 ( 0.609 -3.589 2.951) 4.686 4.246 ( 13.904 -1.167 3.249) 14.326 4.657 ( 0.612 -0.085 0.893) 1.085 5.228 ( -11.990 2.047 -3.909) 12.777 6.463 ( 2.013 -1.111 -1.649) 2.829 6.678 ( -1.287 -0.934 3.828) 4.145 6.886 ( 0.276 3.530 -1.029) 3.687 7.003 ( 13.171 1.355 1.549) 13.331 7.406 ( -1.819 0.280 -2.173) 2.848 8.380 ( -7.115 -0.597 0.434) 7.154 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 1.365 -0.034 0.703) 1.535 3.279 ( 8.187 -6.762 -1.233) 10.690 3.478 ( -0.664 0.343 -0.347) 0.824 4.465 ( 13.587 -5.515 0.764) 14.684 4.682 ( 1.176 2.010 0.520) 2.387 5.036 ( -11.815 2.700 -0.002) 12.120 6.493 ( 4.314 -1.856 -2.971) 5.558 6.664 ( -0.961 -0.294 5.062) 5.160 6.883 ( -3.229 1.974 -0.318) 3.798 7.230 ( 10.242 0.017 1.210) 10.314 7.375 ( -1.958 -0.116 -0.972) 2.189 8.263 ( -5.289 0.530 -0.644) 5.355 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 0.000 2.957 1.019) 3.127 2.496 ( -0.000 3.253 -0.485) 3.289 3.439 ( 0.000 -0.205 6.012) 6.015 3.862 ( 0.000 0.892 0.178) 0.910 4.649 ( 0.000 -2.283 1.995) 3.032 5.576 ( -0.000 2.759 -5.327) 5.999 6.355 ( -0.000 -0.788 -2.642) 2.757 6.594 ( 0.000 1.163 4.877) 5.013 6.662 ( 0.000 3.246 2.336) 3.999 6.874 ( -0.000 0.951 -2.462) 2.639 7.497 ( -0.000 -0.879 -3.953) 4.050 8.595 ( 0.000 0.354 1.015) 1.075 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 1.361 3.010 2.454) 4.115 2.610 ( 10.454 1.109 -0.678) 10.535 3.466 ( 0.929 -0.993 6.599) 6.738 3.911 ( 5.279 -0.039 0.939) 5.362 4.642 ( 0.220 -0.665 1.689) 1.829 5.518 ( -4.581 -1.513 -7.123) 8.603 6.363 ( 4.210 -3.553 -3.618) 6.591 6.627 ( 3.968 -2.340 3.319) 5.678 6.706 ( -0.031 2.075 3.465) 4.039 6.900 ( 0.214 5.389 -0.162) 5.396 7.471 ( -1.423 0.810 -4.019) 4.340 8.578 ( -3.437 1.052 1.840) 4.038 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 1.537 1.393 2.282) 3.084 2.829 ( 14.989 -2.101 -1.972) 15.264 3.481 ( 0.293 -2.082 4.505) 4.971 4.045 ( 9.827 -1.096 2.904) 10.306 4.655 ( 0.526 0.977 1.372) 1.765 5.365 ( -6.880 -3.842 -6.370) 10.132 6.381 ( 3.518 -4.711 -2.497) 6.388 6.668 ( 3.060 -6.219 2.916) 7.519 6.788 ( 7.164 3.790 0.898) 8.154 6.970 ( 0.142 6.100 2.983) 6.792 7.441 ( -2.076 2.126 -3.527) 4.612 8.506 ( -6.828 0.955 1.273) 7.011 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 1.316 -0.567 1.576) 2.130 3.016 ( 12.474 -8.489 -2.215) 15.250 3.474 ( 0.280 -0.962 0.977) 1.400 4.216 ( 10.997 -3.654 2.433) 11.841 4.689 ( 0.930 2.630 1.119) 3.006 5.190 ( -6.882 -3.879 -2.727) 8.357 6.382 ( 3.577 -4.946 -2.486) 6.591 6.664 ( 1.420 -3.523 3.766) 5.349 6.934 ( 3.082 0.823 -0.191) 3.196 7.071 ( 6.419 4.129 4.302) 8.762 7.416 ( -2.476 2.298 -2.815) 4.397 8.385 ( -7.995 1.285 -0.024) 8.097 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.000 3.612 3.786) 5.233 2.514 ( 0.000 -1.493 0.160) 1.502 3.480 ( 0.000 -0.395 8.302) 8.312 3.859 ( 0.000 -1.192 0.102) 1.197 4.646 ( 0.000 0.691 1.772) 1.902 5.488 ( -0.000 -6.526 -9.002) 11.119 6.261 ( -0.000 -5.183 -4.696) 6.994 6.562 ( 0.000 -6.159 3.263) 6.970 6.741 ( 0.000 1.683 3.814) 4.168 6.965 ( 0.000 7.523 1.438) 7.659 7.486 ( -0.000 2.507 -4.243) 4.928 8.634 ( 0.000 2.328 2.309) 3.279 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -0.479 1.543 3.274) 3.651 2.576 ( 9.715 -4.366 -0.548) 10.665 3.492 ( -1.118 -1.267 6.911) 7.115 3.901 ( 6.283 -1.742 1.601) 6.713 4.669 ( 0.302 2.223 1.826) 2.893 5.349 ( -2.540 -9.866 -8.820) 13.475 6.238 ( 4.861 -6.130 -3.696) 8.653 6.532 ( 3.260 -6.928 2.429) 8.033 6.770 ( 1.088 0.804 2.659) 2.983 7.050 ( -0.029 7.442 3.752) 8.334 7.490 ( -1.505 3.853 -4.040) 5.782 8.629 ( -4.478 2.838 1.594) 5.536 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 0.007 -1.486 2.171) 2.630 2.703 ( 12.240 -9.509 -1.955) 15.623 3.470 ( -0.931 -2.007 3.273) 3.950 4.025 ( 9.006 -2.921 2.824) 9.880 4.712 ( 0.631 3.704 1.893) 4.207 5.176 ( -2.185 -10.833 -6.016) 12.583 6.252 ( 4.600 -6.102 -2.439) 8.022 6.556 ( 5.694 -6.445 2.653) 9.000 6.827 ( 4.986 -0.548 0.494) 5.041 7.129 ( -0.536 6.380 5.874) 8.689 7.484 ( -2.630 4.695 -3.890) 6.640 8.549 ( -8.242 2.967 0.425) 8.770 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 0.000 -0.110 2.723) 2.725 2.430 ( -0.000 -7.211 -0.161) 7.212 3.521 ( 0.000 -1.917 8.329) 8.546 3.823 ( 0.000 -2.494 0.453) 2.535 4.701 ( 0.000 3.422 2.336) 4.143 5.217 ( -0.000 -13.892 -9.507) 16.834 6.114 ( -0.000 -6.746 -2.944) 7.360 6.450 ( 0.000 -6.029 2.213) 6.422 6.766 ( 0.000 -1.266 2.228) 2.562 7.135 ( 0.000 6.802 4.603) 8.213 7.536 ( -0.000 5.291 -3.763) 6.493 8.709 ( 0.000 4.070 0.692) 4.128 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -1.471 -4.029 1.562) 4.565 2.420 ( 7.957 -10.999 -1.349) 13.642 3.488 ( -2.511 -4.084 5.238) 7.101 3.867 ( 6.895 -2.971 1.804) 7.721 4.747 ( 0.552 2.625 2.750) 3.842 5.041 ( -0.305 -13.565 -7.588) 15.546 6.091 ( 5.324 -6.650 -1.451) 8.641 6.429 ( 2.840 -4.434 2.195) 5.704 6.765 ( 1.522 -2.252 0.687) 2.803 7.211 ( -0.060 4.964 5.755) 7.600 7.566 ( -1.833 6.513 -3.402) 7.573 8.706 ( -5.240 4.540 -0.629) 6.962 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -0.000 -8.385 -0.171) 8.387 2.222 ( -0.000 -13.527 -1.253) 13.585 3.475 ( 0.000 -8.552 4.540) 9.682 3.774 ( 0.000 -2.847 0.876) 2.978 4.707 ( -0.000 -12.523 -0.291) 12.526 4.950 ( -0.000 0.812 -2.499) 2.628 5.972 ( 0.000 -6.526 0.497) 6.545 6.386 ( 0.000 -1.486 2.047) 2.530 6.727 ( -0.000 -3.026 -0.247) 3.036 7.267 ( 0.000 2.627 5.685) 6.262 7.644 ( -0.000 7.871 -2.468) 8.249 8.796 ( -0.000 5.333 -2.509) 5.893 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.000 -0.000 20.168) 20.168 0.690 ( 0.000 -0.000 20.168) 20.168 1.123 ( 0.000 -0.000 33.682) 33.682 3.588 ( -0.000 0.000 -1.279) 1.279 3.588 ( -0.000 0.000 -1.279) 1.279 5.551 ( -0.000 0.000 -4.684) 4.684 5.551 ( -0.000 0.000 -4.684) 4.684 6.086 ( -0.000 0.000 -13.078) 13.078 6.683 ( 0.000 -0.000 3.218) 3.218 6.683 ( 0.000 -0.000 3.218) 3.218 8.429 ( 0.000 -0.000 7.768) 7.768 9.033 ( -0.000 0.000 -2.577) 2.577 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 8.978 5.183 15.733) 18.842 0.923 ( 9.161 5.289 19.939) 22.571 1.453 ( 18.765 10.834 18.799) 28.686 3.596 ( 0.936 0.540 -1.357) 1.735 3.654 ( 6.299 3.637 -0.330) 7.281 5.527 ( -0.175 -0.101 -3.599) 3.604 5.622 ( 4.995 2.884 -4.187) 7.127 6.340 ( 20.142 11.629 -21.701) 31.810 6.652 ( -2.468 -1.425 3.092) 4.204 6.716 ( 0.080 0.046 0.884) 0.889 8.403 ( -4.433 -2.559 7.668) 9.219 9.006 ( -2.810 -1.622 -4.774) 5.772 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 14.023 8.096 9.304) 18.675 1.195 ( 9.554 5.516 14.873) 18.518 1.988 ( 23.610 13.631 2.168) 27.348 3.622 ( 1.789 1.033 -1.321) 2.452 3.878 ( 12.641 7.299 3.675) 15.053 5.486 ( -2.400 -1.386 -2.065) 3.456 5.745 ( 6.930 4.001 -3.548) 8.754 6.597 ( -3.082 -1.780 2.774) 4.512 6.678 ( -3.222 -1.860 0.302) 3.733 6.727 ( 18.846 10.881 -16.440) 27.273 8.291 ( -7.247 -4.184 7.119) 10.986 8.848 ( -9.132 -5.272 -7.296) 12.823 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 10.372 5.988 5.617) 13.229 1.515 ( 15.184 8.766 4.597) 18.125 2.509 ( 22.401 12.933 -4.335) 26.227 3.667 ( 2.555 1.475 -1.142) 3.164 4.222 ( 15.175 8.762 6.421) 18.663 5.414 ( -3.435 -1.983 -0.168) 3.970 5.906 ( 7.855 4.535 -2.398) 9.381 6.540 ( -2.361 -1.363 1.978) 3.368 6.592 ( -3.852 -2.224 0.472) 4.473 7.053 ( 12.713 7.340 -10.100) 17.819 8.148 ( -7.063 -4.078 7.857) 11.324 8.566 ( -12.005 -6.931 -10.432) 17.349 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 10.108 5.836 -1.076) 11.721 1.859 ( 13.943 8.050 1.670) 16.187 2.973 ( 19.722 11.386 -4.738) 23.261 3.727 ( 2.948 1.702 -0.877) 3.516 4.563 ( 12.277 7.088 5.430) 15.180 5.332 ( -4.122 -2.380 2.144) 5.220 6.072 ( 6.722 3.881 -0.007) 7.761 6.516 ( 0.285 0.164 0.041) 0.331 6.527 ( -1.747 -1.009 0.938) 2.225 7.192 ( 2.089 1.206 -8.498) 8.833 7.981 ( -12.203 -7.045 5.822) 15.246 8.347 ( -1.013 -0.585 -8.058) 8.143 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 8.292 4.788 -3.873) 10.329 2.150 ( 11.177 6.453 0.241) 12.908 3.363 ( 15.693 9.061 -4.861) 18.762 3.791 ( 2.708 1.564 -0.603) 3.185 4.788 ( 5.768 3.330 2.469) 7.103 5.246 ( -4.012 -2.316 4.867) 6.719 6.190 ( 2.939 1.697 3.362) 4.778 6.529 ( 1.817 1.049 0.218) 2.109 6.565 ( 4.387 2.533 -2.860) 5.817 7.136 ( -3.148 -1.818 -7.652) 8.472 7.663 ( -14.617 -8.439 1.346) 16.931 8.430 ( 6.797 3.924 -1.517) 7.993 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 5.864 3.386 -4.142) 7.938 2.363 ( 7.530 4.347 -0.137) 8.696 3.635 ( 9.817 5.668 -8.019) 13.885 3.842 ( 1.834 1.059 -0.352) 2.147 4.820 ( -2.642 -1.526 -1.958) 3.625 5.221 ( -0.119 -0.069 10.325) 10.326 6.233 ( -0.091 -0.053 4.737) 4.738 6.611 ( 5.482 3.165 -1.041) 6.415 6.675 ( 5.620 3.245 -3.908) 7.575 7.028 ( -4.440 -2.563 -7.426) 9.024 7.392 ( -9.045 -5.222 4.756) 11.476 8.571 ( 5.338 3.082 -1.196) 6.279 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 4.047 2.337 -3.298) 5.720 2.487 ( 3.338 1.927 0.017) 3.854 3.744 ( 2.954 1.706 -12.698) 13.148 3.868 ( 0.531 0.307 -0.203) 0.646 4.728 ( -3.204 -1.850 -2.558) 4.498 5.271 ( -0.187 -0.108 13.283) 13.285 6.226 ( -1.870 -1.079 4.365) 4.870 6.767 ( 8.099 4.676 -2.838) 9.773 6.770 ( 3.559 2.055 -3.441) 5.360 6.866 ( -7.109 -4.104 -5.174) 9.703 7.310 ( -0.651 -0.376 7.638) 7.675 8.652 ( 2.329 1.344 -2.138) 3.435 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 2.646 1.528 -2.017) 3.661 2.511 ( -1.326 -0.766 0.352) 1.571 3.707 ( -1.551 -0.895 -13.268) 13.388 3.863 ( -0.887 -0.512 -0.285) 1.064 4.690 ( 0.662 0.382 -2.376) 2.496 5.263 ( -4.912 -2.836 12.421) 13.655 6.178 ( -3.490 -2.015 3.260) 5.183 6.655 ( -7.869 -4.543 -5.422) 10.581 6.807 ( 0.529 0.305 -2.483) 2.557 6.986 ( 9.632 5.561 -0.907) 11.158 7.372 ( 3.360 1.940 6.804) 7.833 8.677 ( 0.981 0.567 -1.725) 2.064 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -0.752 -0.434 -0.745) 1.144 2.426 ( -6.469 -3.735 0.733) 7.506 3.611 ( -3.419 -1.974 -9.116) 9.934 3.828 ( -1.995 -1.152 -0.581) 2.375 4.731 ( 3.317 1.915 -3.444) 5.151 5.119 ( -10.874 -6.278 9.560) 15.782 6.091 ( -4.857 -2.804 1.607) 5.834 6.479 ( -5.843 -3.374 -3.416) 7.563 6.783 ( -1.841 -1.063 -1.223) 2.452 7.176 ( 7.071 4.082 -3.401) 8.844 7.493 ( 5.412 3.125 4.669) 7.801 8.709 ( 2.397 1.384 0.709) 2.857 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 11.954 14.494) 18.788 0.968 ( 0.000 14.478 17.154) 22.447 1.515 ( 0.000 18.151 20.452) 27.345 3.585 ( -0.000 0.735 -1.379) 1.562 3.653 ( -0.000 7.037 -0.811) 7.084 5.494 ( -0.000 0.486 -4.334) 4.361 5.541 ( -0.000 -2.587 -2.294) 3.458 6.301 ( -0.000 24.158 -20.729) 31.832 6.674 ( 0.000 -2.139 1.537) 2.634 6.717 ( 0.000 -0.122 2.864) 2.866 8.427 ( 0.000 -5.666 7.816) 9.654 9.016 ( -0.000 -0.034 -5.275) 5.276 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 4.206 15.683 10.141) 19.143 1.225 ( 4.295 11.631 16.567) 20.693 1.868 ( 11.252 21.682 5.640) 25.070 3.611 ( 1.606 1.917 -1.338) 2.836 3.789 ( 6.964 9.234 1.998) 11.736 5.479 ( -0.803 -2.827 -2.510) 3.865 5.604 ( 9.277 0.612 -3.142) 9.814 6.557 ( 10.312 19.425 -17.483) 28.095 6.631 ( -2.086 -3.164 1.748) 4.174 6.708 ( -1.561 -0.970 1.857) 2.612 8.351 ( -3.715 -7.848 7.273) 11.326 8.929 ( -6.758 -2.504 -7.026) 10.065 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 4.120 10.337 9.678) 14.748 1.463 ( 8.231 16.087 6.767) 19.296 2.317 ( 16.288 19.916 -3.852) 26.015 3.659 ( 1.418 3.538 -1.306) 4.029 4.079 ( 13.575 9.605 5.265) 17.443 5.419 ( -1.376 -4.226 -0.952) 4.545 5.785 ( 10.012 3.783 -2.961) 11.104 6.563 ( -2.276 -3.720 1.734) 4.693 6.647 ( -3.391 -0.461 0.346) 3.440 6.883 ( 12.608 11.950 -10.492) 20.295 8.216 ( -4.920 -8.169 7.291) 12.004 8.696 ( -12.709 -4.497 -9.116) 16.274 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 5.437 9.262 2.508) 11.029 1.790 ( 9.273 15.624 3.389) 18.482 2.772 ( 17.404 16.639 -4.856) 24.563 3.720 ( 1.524 4.592 -1.143) 4.971 4.427 ( 13.910 7.737 5.011) 16.687 5.346 ( -1.759 -5.061 0.984) 5.447 5.987 ( 8.764 6.041 -1.912) 10.815 6.502 ( -1.136 -3.362 1.267) 3.768 6.593 ( -3.373 1.630 0.936) 3.861 7.105 ( 6.820 3.648 -8.586) 11.556 8.085 ( -5.526 -8.359 8.298) 13.010 8.402 ( -10.647 -1.968 -10.070) 14.786 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 6.139 7.649 -1.683) 9.951 2.095 ( 7.887 14.330 1.585) 16.434 3.187 ( 15.364 12.855 -3.897) 20.408 3.792 ( 1.408 5.582 -1.015) 5.846 4.704 ( 9.427 4.214 2.821) 10.705 5.266 ( -1.943 -5.847 2.749) 6.747 6.174 ( 5.496 6.729 0.498) 8.702 6.478 ( 1.526 -1.963 -0.245) 2.499 6.583 ( -1.066 4.218 0.180) 4.355 7.127 ( -0.726 -1.762 -7.988) 8.212 7.832 ( -14.127 -9.341 1.832) 17.034 8.351 ( 4.536 2.554 -1.717) 5.481 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 5.255 5.633 -3.063) 8.290 2.343 ( 5.028 12.601 0.800) 13.590 3.497 ( 10.338 7.387 -4.809) 13.585 3.869 ( 0.597 7.359 -1.432) 7.521 4.822 ( 0.970 -0.359 -0.646) 1.219 5.212 ( 1.434 -4.788 6.530) 8.224 6.291 ( -0.237 6.214 3.547) 7.159 6.519 ( 5.063 -0.241 -2.299) 5.566 6.645 ( 2.569 5.810 -1.371) 6.499 7.043 ( -2.965 -2.412 -7.164) 8.120 7.527 ( -11.788 -6.370 2.719) 13.672 8.481 ( 6.985 1.286 -0.046) 7.103 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 3.850 3.833 -3.142) 6.276 2.514 ( 1.210 10.621 0.674) 10.711 3.640 ( 4.314 0.952 -7.144) 8.399 3.937 ( -1.628 8.770 -3.222) 9.484 4.755 ( -3.736 -2.807 -2.863) 5.480 5.267 ( 4.153 -2.855 11.236) 12.315 6.320 ( -4.174 5.219 4.143) 7.862 6.626 ( 7.575 1.092 -2.979) 8.213 6.758 ( 4.106 6.079 -1.595) 7.507 6.922 ( -5.824 -2.945 -6.668) 9.331 7.361 ( -4.187 -2.179 6.215) 7.804 8.583 ( 4.857 -1.095 -1.339) 5.156 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 2.903 2.265 -2.722) 4.579 2.593 ( -3.280 8.402 0.854) 9.060 3.637 ( 0.478 -2.839 -9.067) 9.513 3.954 ( -4.234 7.471 -3.865) 9.417 4.684 ( -0.952 -0.808 -2.150) 2.487 5.319 ( 0.029 -3.671 11.964) 12.514 6.287 ( -6.236 3.637 3.511) 8.027 6.719 ( -2.204 -0.662 -5.188) 5.676 6.774 ( -0.990 -1.088 -2.963) 3.308 6.904 ( 6.667 6.270 -0.792) 9.186 7.361 ( 1.654 0.267 6.516) 6.728 8.621 ( 3.138 -2.841 -2.134) 4.741 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 1.443 -0.018 -2.118) 2.563 2.568 ( -8.324 5.519 1.096) 10.047 3.569 ( -0.564 -3.928 -8.066) 8.990 3.923 ( -5.448 5.717 -2.750) 8.362 4.690 ( 2.054 1.336 -2.409) 3.436 5.252 ( -7.091 -5.830 10.069) 13.625 6.206 ( -7.562 1.919 2.596) 8.223 6.562 ( -8.072 -1.291 -3.433) 8.867 6.792 ( -0.049 0.482 -1.798) 1.862 7.084 ( 7.587 5.016 -3.062) 9.597 7.443 ( 4.583 1.032 5.226) 7.027 8.643 ( 4.052 -3.060 -0.972) 5.169 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.000 15.091 7.861) 17.016 1.372 ( 0.000 14.623 13.217) 19.711 2.043 ( 0.000 26.331 2.404) 26.441 3.599 ( -0.000 1.588 -1.260) 2.027 3.852 ( 0.000 12.506 2.602) 12.774 5.449 ( -0.000 -5.182 -0.734) 5.234 5.522 ( -0.000 4.667 -1.946) 5.056 6.600 ( -0.000 3.497 -5.899) 6.857 6.631 ( -0.000 11.381 -7.307) 13.525 6.718 ( 0.000 -1.147 1.534) 1.915 8.313 ( 0.000 -10.578 6.490) 12.410 8.943 ( -0.000 -2.653 -8.213) 8.630 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 4.219 15.576 4.640) 16.792 1.559 ( 1.760 12.801 9.659) 16.133 2.346 ( 5.526 25.690 -4.512) 26.662 3.648 ( 3.267 2.663 -1.202) 4.383 4.039 ( 5.380 13.665 4.984) 15.508 5.386 ( -0.787 -5.470 0.154) 5.529 5.655 ( 8.482 5.996 -0.765) 10.415 6.553 ( -1.064 -5.092 1.505) 5.415 6.690 ( -1.814 -0.150 -0.060) 1.821 6.816 ( 6.265 13.630 -9.190) 17.592 8.202 ( -2.188 -11.449 5.939) 13.082 8.811 ( -8.133 -3.510 -9.571) 13.041 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 1.465 10.201 2.557) 10.618 1.835 ( 7.452 17.336 4.285) 19.350 2.701 ( 10.542 21.765 -5.566) 24.816 3.734 ( 2.793 4.635 -1.212) 5.545 4.318 ( 9.896 11.289 4.548) 15.686 5.316 ( -1.071 -6.224 1.615) 6.519 5.886 ( 10.132 7.835 -0.387) 12.814 6.490 ( -1.245 -4.349 1.828) 4.879 6.658 ( -2.076 1.124 -0.092) 2.362 7.005 ( 6.503 5.987 -7.230) 11.419 8.075 ( -2.001 -10.840 6.782) 12.942 8.559 ( -12.693 -2.241 -10.349) 16.530 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 3.055 8.759 -0.629) 9.298 2.145 ( 6.854 17.650 2.730) 19.130 3.079 ( 12.595 16.716 -3.487) 21.218 3.827 ( 2.092 6.863 -1.086) 7.256 4.591 ( 9.677 6.773 1.864) 11.958 5.236 ( -1.517 -7.210 2.647) 7.829 6.132 ( 8.502 9.207 0.142) 12.533 6.446 ( -0.151 -2.889 0.983) 3.055 6.651 ( -1.404 3.764 -0.175) 4.021 7.076 ( 1.765 -0.883 -7.015) 7.287 7.930 ( -6.815 -11.234 4.749) 13.972 8.356 ( -4.779 2.011 -5.861) 7.826 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 3.665 7.031 -1.692) 8.108 2.422 ( 4.452 17.051 1.944) 17.729 3.402 ( 9.771 10.545 -2.477) 14.587 3.936 ( 1.570 9.974 -1.495) 10.207 4.774 ( 5.368 2.378 -0.160) 5.873 5.146 ( -0.264 -8.238 3.414) 8.922 6.344 ( 4.688 9.379 1.858) 10.649 6.441 ( 2.337 -1.161 -1.380) 2.952 6.684 ( -0.208 5.773 -0.158) 5.779 7.032 ( -1.242 -2.437 -6.621) 7.164 7.669 ( -11.498 -8.094 1.612) 14.154 8.383 ( 4.742 0.916 -0.061) 4.830 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 2.962 5.212 -1.919) 6.295 2.638 ( 0.985 15.848 1.842) 15.985 3.579 ( 3.842 3.806 -3.341) 6.357 4.053 ( -0.723 12.471 -3.612) 13.004 4.781 ( -3.345 -2.063 -2.786) 4.817 5.151 ( 7.297 -6.330 7.647) 12.321 6.439 ( -0.669 3.248 1.480) 3.632 6.533 ( 4.920 6.302 -1.408) 8.118 6.752 ( 2.049 4.594 0.426) 5.048 6.960 ( -3.120 -0.373 -6.629) 7.336 7.448 ( -7.429 -4.102 3.595) 9.217 8.471 ( 5.442 -2.251 -0.032) 5.889 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 1.920 3.525 -2.001) 4.485 2.773 ( -3.360 14.202 2.151) 14.752 3.599 ( -0.832 -0.821 -5.089) 5.221 4.106 ( -4.851 11.043 -5.607) 13.302 4.691 ( -2.266 -1.686 -2.029) 3.478 5.256 ( 6.534 -5.409 9.510) 12.743 6.432 ( -4.066 2.532 0.906) 4.875 6.676 ( 4.830 6.148 -0.920) 7.872 6.821 ( -0.778 -1.509 -0.095) 1.700 6.887 ( -1.536 6.314 -4.931) 8.157 7.370 ( -0.993 -1.014 4.858) 5.061 8.513 ( 4.013 -4.923 -1.244) 6.472 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 0.883 1.636 -2.076) 2.787 2.807 ( -8.728 11.295 2.361) 14.468 3.532 ( -1.835 -2.671 -5.429) 6.323 4.082 ( -6.580 8.300 -4.523) 11.517 4.670 ( 0.755 0.735 -1.605) 1.920 5.290 ( -0.110 -6.110 8.225) 10.247 6.360 ( -6.687 1.230 1.537) 6.970 6.699 ( -7.662 -0.194 -3.003) 8.232 6.795 ( 0.960 6.340 -0.514) 6.433 7.000 ( 6.279 4.487 -2.907) 8.247 7.400 ( 2.722 -0.068 4.518) 5.275 8.519 ( 4.244 -6.079 -1.271) 7.522 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.000 15.609 2.633) 15.830 1.690 ( 0.000 11.042 4.934) 12.095 2.546 ( -0.000 25.781 -6.830) 26.670 3.632 ( -0.000 2.508 -0.772) 2.624 4.174 ( 0.000 16.763 6.315) 17.913 5.339 ( 0.000 -6.256 1.840) 6.521 5.652 ( 0.000 8.657 1.335) 8.760 6.517 ( 0.000 -5.136 2.355) 5.650 6.696 ( -0.000 -1.444 -0.425) 1.505 6.867 ( -0.000 12.065 -7.570) 14.243 8.116 ( 0.000 -12.711 4.563) 13.505 8.814 ( -0.000 -3.512 -10.600) 11.166 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -0.187 9.286 -0.212) 9.290 1.883 ( 6.740 15.388 1.844) 16.900 2.790 ( 3.467 22.738 -6.425) 23.882 3.699 ( 4.333 3.180 -0.792) 5.433 4.378 ( 1.779 16.284 5.671) 17.335 5.277 ( -0.803 -6.476 3.265) 7.297 5.820 ( 7.364 9.866 2.295) 12.523 6.472 ( -0.750 -4.188 2.784) 5.084 6.677 ( -0.173 -0.497 -1.366) 1.464 6.966 ( 2.720 6.236 -5.525) 8.764 8.000 ( -0.564 -12.155 4.292) 12.903 8.679 ( -7.479 -2.429 -10.902) 13.442 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 1.332 7.733 -2.041) 8.108 2.186 ( 9.177 16.109 1.335) 18.588 3.070 ( 7.427 18.098 -3.372) 19.851 3.819 ( 5.344 4.709 -0.878) 7.177 4.574 ( 3.070 11.707 2.232) 12.307 5.206 ( -1.746 -6.353 3.952) 7.683 6.078 ( 9.338 10.547 2.154) 14.251 6.431 ( -0.864 -2.729 2.068) 3.531 6.683 ( 0.800 1.912 -1.612) 2.626 7.019 ( 1.640 -0.028 -4.930) 5.196 7.888 ( -1.035 -11.717 4.284) 12.518 8.481 ( -9.248 0.784 -8.608) 12.659 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 2.720 6.705 -1.732) 7.440 2.498 ( 7.637 16.402 1.157) 18.130 3.354 ( 8.321 12.099 -0.883) 14.711 3.970 ( 5.488 8.103 -0.630) 9.807 4.722 ( 3.966 5.662 -0.268) 6.918 5.110 ( -3.491 -6.806 2.687) 8.107 6.337 ( 7.763 10.409 1.698) 13.096 6.408 ( 0.069 -1.292 0.652) 1.448 6.731 ( 1.304 4.682 -1.192) 5.004 6.997 ( -0.055 -2.574 -4.803) 5.450 7.734 ( -5.584 -10.483 1.840) 12.019 8.372 ( -2.609 2.144 -2.770) 4.368 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 2.661 5.432 -1.136) 6.155 2.765 ( 4.276 16.094 1.444) 16.715 3.550 ( 4.360 5.429 -0.700) 6.998 4.154 ( 3.719 12.663 -1.469) 13.279 4.809 ( 0.084 2.193 -2.034) 2.993 4.995 ( 1.145 -9.276 3.379) 9.938 6.416 ( 1.765 -0.082 -1.128) 2.096 6.552 ( 5.156 9.514 1.990) 11.003 6.783 ( -0.502 3.003 -0.164) 3.049 6.972 ( 0.524 1.688 -4.707) 5.028 7.537 ( -7.181 -6.422 1.341) 9.726 8.381 ( 2.239 -1.155 0.189) 2.526 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 1.617 4.000 -0.965) 4.421 2.964 ( 0.058 15.213 2.274) 15.382 3.602 ( -0.759 0.299 -2.017) 2.176 4.289 ( -3.237 13.993 -4.515) 15.055 4.724 ( -5.091 -1.590 -2.486) 5.885 5.061 ( 11.126 -7.766 6.519) 15.053 6.450 ( 1.843 0.563 -1.312) 2.332 6.704 ( 1.147 7.398 -0.614) 7.512 6.784 ( 1.922 -1.551 2.137) 3.266 7.004 ( -2.417 8.776 -3.942) 9.920 7.404 ( -3.397 -2.653 2.556) 5.011 8.398 ( 2.875 -4.969 -0.087) 5.741 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 0.354 2.481 -1.158) 2.761 3.070 ( -5.725 13.208 3.156) 14.737 3.538 ( -3.227 -2.607 -3.123) 5.193 4.287 ( -8.456 10.800 -4.814) 14.536 4.666 ( -0.286 0.168 -1.006) 1.059 5.180 ( 7.862 -7.480 5.492) 12.162 6.451 ( -2.680 0.581 0.419) 2.774 6.716 ( -0.108 -0.973 -3.642) 3.772 6.869 ( 3.539 2.989 2.357) 5.197 7.025 ( -4.452 11.030 -2.640) 12.184 7.381 ( 0.724 -0.574 2.683) 2.838 8.385 ( 3.173 -7.014 -0.466) 7.713 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -0.000 7.103 -3.545) 7.939 1.956 ( -0.000 14.263 -0.619) 14.277 2.954 ( -0.000 19.884 -5.653) 20.671 3.687 ( 0.000 3.382 0.018) 3.382 4.557 ( 0.000 16.374 5.332) 17.221 5.238 ( 0.000 -5.514 4.937) 7.402 5.869 ( 0.000 11.086 4.051) 11.803 6.454 ( 0.000 -2.952 3.528) 4.600 6.659 ( -0.000 -1.213 -2.527) 2.803 6.981 ( -0.000 3.564 -4.091) 5.426 7.897 ( 0.000 -11.608 2.547) 11.884 8.683 ( -0.000 -1.994 -10.883) 11.065 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 0.272 5.982 -4.445) 7.458 2.169 ( 8.618 13.341 -1.198) 15.928 3.141 ( 3.088 15.861 -2.609) 16.368 3.763 ( 4.526 3.628 -0.011) 5.801 4.696 ( -1.280 10.637 2.676) 11.043 5.206 ( -1.579 -1.967 5.317) 5.885 6.054 ( 6.538 11.155 4.218) 13.601 6.436 ( -0.999 -1.322 3.086) 3.503 6.656 ( 1.980 -0.082 -2.896) 3.509 6.989 ( 0.260 -0.361 -3.240) 3.270 7.794 ( -0.095 -10.641 1.674) 10.772 8.585 ( -5.486 -0.108 -8.942) 10.491 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 2.346 5.449 -2.754) 6.541 2.475 ( 11.661 13.058 -1.125) 17.543 3.348 ( 5.683 10.905 0.544) 12.309 3.908 ( 7.792 4.549 0.156) 9.024 4.749 ( -0.474 3.068 1.077) 3.286 5.165 ( -5.275 1.549 2.369) 5.986 6.307 ( 8.413 10.356 3.190) 13.718 6.416 ( -1.357 -0.022 1.451) 1.987 6.713 ( 4.153 2.515 -2.125) 5.300 6.960 ( -0.386 -2.833 -2.634) 3.888 7.686 ( -1.329 -10.057 0.481) 10.156 8.466 ( -6.077 1.927 -4.685) 7.912 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 3.009 4.761 -1.051) 5.729 2.790 ( 10.069 12.918 -0.849) 16.401 3.526 ( 4.747 5.087 1.556) 7.130 4.126 ( 10.670 7.109 1.180) 12.875 4.770 ( 2.446 -2.172 1.574) 3.630 5.053 ( -10.062 1.979 -2.066) 10.461 6.406 ( -0.431 1.164 -0.251) 1.266 6.544 ( 6.886 8.421 2.854) 11.246 6.802 ( 1.555 2.696 -1.937) 3.666 6.938 ( 2.865 -0.190 -1.630) 3.302 7.555 ( -3.275 -7.925 -0.391) 8.584 8.392 ( -3.461 0.960 -0.857) 3.692 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 2.202 3.659 -0.328) 4.283 3.054 ( 6.308 12.420 0.055) 13.930 3.603 ( 0.777 -0.022 0.454) 0.900 4.385 ( 7.699 10.407 0.326) 12.950 4.817 ( 7.486 -6.158 3.117) 10.182 4.864 ( -11.837 1.089 -3.662) 12.439 6.427 ( 1.249 2.002 -0.800) 2.491 6.718 ( 4.739 4.247 3.549) 7.287 6.777 ( -2.582 -0.476 -2.730) 3.788 7.060 ( 5.046 7.685 -1.152) 9.265 7.435 ( -3.199 -4.387 0.175) 5.433 8.344 ( -1.521 -2.651 0.202) 3.064 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 0.786 2.365 -0.330) 2.514 3.243 ( 1.446 11.446 1.591) 11.647 3.557 ( -3.307 -4.025 -1.077) 5.319 4.532 ( -5.068 13.001 -2.849) 14.242 4.693 ( -5.611 -0.150 -1.283) 5.757 4.932 ( 12.403 -8.897 3.563) 15.674 6.475 ( 1.319 2.639 0.176) 2.956 6.709 ( -1.963 -2.114 -2.557) 3.855 6.826 ( 3.202 1.552 1.832) 4.002 7.193 ( -0.613 10.358 -0.917) 10.417 7.375 ( -0.420 -1.536 0.942) 1.851 8.288 ( 0.138 -5.599 0.053) 5.601 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -0.000 4.456 -5.558) 7.123 2.202 ( -0.000 11.480 -1.725) 11.609 3.248 ( -0.000 12.091 -0.467) 12.100 3.760 ( 0.000 3.601 0.552) 3.643 4.781 ( 0.000 1.675 2.380) 2.910 5.261 ( 0.000 6.043 4.350) 7.446 6.120 ( 0.000 10.683 4.965) 11.781 6.456 ( 0.000 0.835 3.728) 3.820 6.618 ( -0.000 -0.604 -3.805) 3.852 6.970 ( -0.000 -1.817 -2.200) 2.853 7.700 ( -0.000 -9.024 -0.464) 9.036 8.602 ( -0.000 0.124 -7.410) 7.411 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 1.603 4.231 -3.263) 5.578 2.388 ( 9.575 9.970 -1.895) 13.952 3.374 ( 2.765 7.912 2.329) 8.699 3.836 ( 4.667 3.361 0.639) 5.787 4.766 ( -0.789 -3.434 2.517) 4.330 5.315 ( -4.289 8.779 0.411) 9.779 6.287 ( 5.949 8.762 3.708) 11.221 6.463 ( -2.165 2.231 2.228) 3.825 6.645 ( 4.327 1.246 -2.076) 4.958 6.934 ( -0.604 -3.126 -1.393) 3.475 7.610 ( -0.566 -7.734 -1.978) 8.002 8.553 ( -3.693 1.161 -4.190) 5.705 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 3.093 4.020 -0.774) 5.131 2.681 ( 13.694 8.983 -2.239) 16.530 3.502 ( 3.892 3.319 3.862) 6.409 3.995 ( 9.807 3.406 1.916) 10.557 4.726 ( -0.008 -4.268 2.416) 4.904 5.271 ( -9.465 7.323 -3.781) 12.550 6.440 ( -0.441 1.281 0.951) 1.656 6.511 ( 6.288 8.180 1.690) 10.455 6.761 ( 6.031 3.638 -0.481) 7.059 6.886 ( -0.051 -3.619 -0.194) 3.624 7.515 ( -1.465 -6.224 -2.679) 6.933 8.481 ( -5.080 1.371 -1.012) 5.358 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 2.875 3.139 0.282) 4.266 2.988 ( 12.662 8.196 -2.394) 15.272 3.577 ( 1.994 -1.175 2.854) 3.675 4.246 ( 14.259 3.035 3.842) 15.076 4.701 ( 1.088 -4.223 1.940) 4.773 5.123 ( -13.166 6.054 -5.499) 15.499 6.443 ( -0.430 2.134 0.019) 2.177 6.683 ( 4.402 2.924 3.092) 6.123 6.811 ( -1.466 1.987 -3.036) 3.913 6.975 ( 10.212 2.428 1.717) 10.636 7.428 ( -1.662 -3.803 -2.156) 4.678 8.396 ( -5.544 -0.368 0.252) 5.562 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -0.000 3.852 -1.723) 4.220 2.382 ( -0.000 7.859 -1.252) 7.958 3.424 ( 0.000 4.661 4.662) 6.593 3.827 ( 0.000 2.640 0.497) 2.686 4.736 ( 0.000 -5.184 3.019) 5.999 5.440 ( -0.000 8.591 -2.931) 9.078 6.312 ( 0.000 5.117 1.312) 5.282 6.537 ( 0.000 4.463 3.986) 5.984 6.606 ( -0.000 2.181 -1.079) 2.433 6.904 ( -0.000 -3.423 -0.829) 3.521 7.541 ( -0.000 -5.367 -3.888) 6.627 8.584 ( -0.000 1.087 -2.032) 2.305 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 1.974 3.912 0.601) 4.423 2.535 ( 9.855 6.003 -1.353) 11.618 3.493 ( 1.846 1.582 6.453) 6.896 3.896 ( 5.336 1.959 1.129) 5.795 4.696 ( -0.189 -4.081 2.715) 4.905 5.450 ( -5.206 5.572 -6.218) 9.839 6.388 ( 5.078 0.366 -1.858) 5.419 6.565 ( -1.624 6.186 2.857) 7.004 6.700 ( 5.101 3.374 3.412) 7.003 6.862 ( -0.773 -2.822 -0.901) 3.062 7.476 ( -0.944 -3.291 -4.706) 5.819 8.565 ( -3.135 1.231 0.269) 3.379 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 2.568 3.089 1.448) 4.270 2.797 ( 14.674 4.262 -2.389) 15.466 3.545 ( 1.444 -1.664 5.542) 5.964 4.059 ( 10.875 1.017 3.763) 11.552 4.671 ( 0.036 -2.265 1.900) 2.957 5.343 ( -9.035 3.241 -7.514) 12.190 6.441 ( 2.368 -1.775 -0.930) 3.103 6.665 ( 3.472 6.856 1.299) 7.794 6.807 ( 4.611 -5.179 2.806) 7.480 6.858 ( 2.402 5.681 0.478) 6.187 7.417 ( -1.383 -1.303 -4.225) 4.633 8.501 ( -5.826 0.529 1.144) 5.961 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 0.000 4.350 2.461) 4.998 2.491 ( -0.000 3.645 -0.368) 3.663 3.515 ( 0.000 0.491 9.066) 9.079 3.864 ( 0.000 0.765 0.205) 0.792 4.672 ( 0.000 -2.772 2.602) 3.802 5.504 ( -0.000 1.542 -8.855) 8.989 6.319 ( -0.000 -2.128 -4.307) 4.804 6.651 ( 0.000 1.178 6.310) 6.419 6.694 ( 0.000 4.313 3.679) 5.669 6.852 ( -0.000 1.079 -1.779) 2.080 7.448 ( -0.000 -0.697 -5.671) 5.713 8.609 ( 0.000 1.411 1.795) 2.283 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 0.905 3.678 2.879) 4.758 2.602 ( 9.691 1.359 -0.838) 9.821 3.545 ( -0.350 -1.130 8.780) 8.859 3.925 ( 6.537 -0.007 1.927) 6.815 4.662 ( 0.031 -0.965 2.122) 2.331 5.431 ( -3.988 -1.857 -9.995) 10.920 6.325 ( 5.235 -3.874 -3.881) 7.581 6.668 ( 2.514 -2.884 4.651) 6.022 6.742 ( -0.309 1.097 3.468) 3.651 6.900 ( 1.024 7.521 0.091) 7.591 7.422 ( -1.100 1.218 -5.500) 5.739 8.599 ( -3.721 1.294 2.199) 4.512 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.000 3.688 3.124) 4.834 2.514 ( -0.000 -1.406 -0.103) 1.410 3.581 ( 0.000 -0.943 11.410) 11.449 3.861 ( 0.000 -1.129 0.211) 1.149 4.667 ( 0.000 0.598 2.262) 2.339 5.384 ( -0.000 -6.418 -11.299) 12.995 6.216 ( -0.000 -4.792 -4.205) 6.376 6.603 ( 0.000 -7.668 4.705) 8.997 6.777 ( 0.000 1.265 3.297) 3.531 6.977 ( 0.000 9.630 0.986) 9.680 7.435 ( -0.000 3.179 -5.685) 6.513 8.657 ( 0.000 1.916 2.198) 2.916 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.000 -0.000 17.119) 17.119 0.880 ( 0.000 -0.000 17.119) 17.119 1.444 ( 0.000 -0.000 29.425) 29.425 3.574 ( -0.000 0.000 -1.500) 1.500 3.574 ( -0.000 0.000 -1.500) 1.500 5.503 ( -0.000 0.000 -4.645) 4.645 5.503 ( -0.000 0.000 -4.645) 4.645 5.947 ( -0.000 0.000 -13.948) 13.948 6.716 ( 0.000 -0.000 3.115) 3.115 6.716 ( 0.000 -0.000 3.115) 3.115 8.512 ( 0.000 -0.000 8.536) 8.536 9.002 ( -0.000 0.000 -3.527) 3.527 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 6.660 3.845 14.167) 16.120 1.115 ( 10.403 6.006 17.556) 21.272 1.633 ( 9.462 5.463 16.423) 19.725 3.581 ( 0.956 0.552 -1.554) 1.906 3.654 ( 7.662 4.424 0.293) 8.852 5.486 ( 0.421 0.243 -4.342) 4.369 5.575 ( 5.181 2.991 -4.845) 7.698 6.142 ( 19.008 10.974 -17.172) 27.867 6.685 ( -2.508 -1.448 3.275) 4.372 6.731 ( -0.878 -0.507 1.694) 1.974 8.485 ( -4.730 -2.731 8.436) 10.049 8.955 ( -3.815 -2.203 -5.359) 6.937 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 11.676 6.741 9.086) 16.259 1.361 ( 5.714 3.299 17.510) 18.711 1.992 ( 19.450 11.229 -1.430) 22.504 3.607 ( 1.868 1.079 -1.492) 2.623 3.918 ( 14.230 8.216 4.053) 16.924 5.458 ( -1.503 -0.868 -3.280) 3.711 5.702 ( 7.339 4.237 -4.851) 9.764 6.561 ( 19.060 11.004 -13.997) 26.083 6.629 ( -3.273 -1.889 3.344) 5.046 6.694 ( -1.113 -0.643 0.836) 1.534 8.369 ( -7.459 -4.307 8.217) 11.904 8.773 ( -10.173 -5.874 -7.499) 13.937 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 5.981 3.453 8.443) 10.908 1.563 ( 13.508 7.799 4.878) 16.342 2.462 ( 21.995 12.699 -4.651) 25.820 3.655 ( 2.685 1.550 -1.310) 3.366 4.282 ( 15.377 8.878 5.130) 18.482 5.406 ( -2.293 -1.324 -1.415) 3.002 5.871 ( 8.708 5.027 -4.365) 10.961 6.567 ( -2.905 -1.677 3.161) 4.609 6.595 ( -3.364 -1.942 0.080) 3.885 6.953 ( 13.647 7.879 -9.502) 18.402 8.236 ( -6.360 -3.672 9.482) 11.993 8.465 ( -13.236 -7.642 -9.492) 17.992 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 7.580 4.376 1.635) 8.904 1.879 ( 12.949 7.476 2.223) 15.117 2.930 ( 19.870 11.472 -3.668) 23.236 3.718 ( 3.099 1.789 -1.067) 3.734 4.610 ( 11.596 6.695 3.672) 13.884 5.344 ( -2.967 -1.713 0.346) 3.443 6.057 ( 8.433 4.869 -2.810) 10.135 6.528 ( -1.070 -0.618 2.167) 2.495 6.533 ( -1.774 -1.024 0.231) 2.062 7.104 ( 2.497 1.441 -8.532) 9.006 8.019 ( -15.659 -9.041 0.970) 18.108 8.304 ( 2.613 1.509 0.327) 3.035 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 7.219 4.168 -1.531) 8.476 2.155 ( 10.710 6.184 0.920) 12.401 3.316 ( 14.803 8.546 -4.244) 17.612 3.783 ( 2.865 1.654 -0.788) 3.401 4.807 ( 4.223 2.438 1.237) 5.031 5.286 ( -1.801 -1.040 2.800) 3.488 6.212 ( 4.959 2.863 0.713) 5.770 6.526 ( 1.406 0.812 -0.719) 1.776 6.546 ( 2.676 1.545 -0.703) 3.169 7.061 ( -2.699 -1.558 -7.031) 7.691 7.675 ( -13.630 -7.869 1.040) 15.773 8.433 ( 6.434 3.715 2.074) 7.713 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 5.605 3.236 -2.788) 7.047 2.365 ( 7.374 4.257 0.414) 8.524 3.554 ( 7.721 4.457 -7.724) 11.795 3.837 ( 1.973 1.139 -0.469) 2.326 4.797 ( -3.722 -2.149 -2.671) 5.060 5.318 ( 2.478 1.431 8.713) 9.171 6.278 ( 0.444 0.256 3.998) 4.030 6.596 ( 5.139 2.967 -1.815) 6.206 6.637 ( 5.273 3.044 -3.456) 7.001 6.959 ( -4.437 -2.562 -5.930) 7.837 7.444 ( -7.161 -4.135 5.288) 9.816 8.564 ( 4.418 2.551 -0.150) 5.104 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 4.264 2.462 -3.214) 5.880 2.488 ( 3.340 1.928 0.207) 3.862 3.620 ( 1.490 0.860 -11.485) 11.613 3.866 ( 0.578 0.334 -0.218) 0.702 4.700 ( -2.805 -1.619 -2.806) 4.285 5.399 ( 0.443 0.256 11.694) 11.705 6.272 ( -2.127 -1.228 4.723) 5.323 6.717 ( 3.128 1.806 -6.370) 7.323 6.733 ( 3.864 2.231 -3.876) 5.910 6.841 ( -1.478 -0.853 -0.108) 1.710 7.384 ( -0.540 -0.312 6.915) 6.943 8.630 ( 1.927 1.112 -2.165) 3.105 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.000 9.448 11.702) 15.040 1.136 ( 0.000 14.067 15.510) 20.940 1.705 ( 0.000 9.454 16.543) 19.054 3.570 ( -0.000 0.794 -1.405) 1.614 3.649 ( 0.000 8.101 -0.053) 8.101 5.456 ( -0.000 1.076 -2.947) 3.137 5.508 ( -0.000 -1.189 -4.056) 4.227 6.114 ( -0.000 23.116 -16.065) 28.150 6.695 ( 0.000 -2.999 2.395) 3.838 6.742 ( 0.000 -0.460 2.115) 2.165 8.509 ( 0.000 -6.225 8.326) 10.396 8.959 ( -0.000 -1.505 -5.947) 6.134 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 3.503 13.010 8.662) 16.018 1.395 ( 5.026 9.352 16.778) 19.854 1.904 ( 6.463 16.083 1.267) 17.379 3.597 ( 1.546 2.038 -1.370) 2.902 3.814 ( 8.272 10.464 2.819) 13.634 5.449 ( -0.743 -1.469 -3.129) 3.536 5.573 ( 8.371 1.771 -2.952) 9.051 6.398 ( 11.205 21.291 -13.447) 27.563 6.653 ( -1.662 -3.790 2.475) 4.822 6.724 ( -1.772 -1.005 1.195) 2.362 8.428 ( -3.641 -8.614 7.980) 12.294 8.854 ( -6.993 -3.675 -7.708) 11.037 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 6.756 12.624 5.354) 15.286 1.566 ( 1.899 8.031 11.590) 14.228 2.270 ( 15.759 19.027 -5.169) 25.241 3.646 ( 1.437 3.635 -1.258) 4.107 4.128 ( 14.015 9.844 4.245) 17.645 5.404 ( -0.987 -2.790 -1.686) 3.406 5.752 ( 9.388 5.145 -3.344) 11.216 6.584 ( -1.998 -4.123 2.162) 5.066 6.645 ( -1.776 1.092 -0.545) 2.155 6.790 ( 11.739 11.895 -7.752) 18.423 8.296 ( -4.190 -8.565 8.507) 12.778 8.603 ( -13.164 -5.525 -9.075) 16.916 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 3.443 6.634 3.892) 8.427 1.826 ( 8.073 15.100 3.585) 17.494 2.728 ( 17.960 16.733 -3.667) 24.819 3.709 ( 1.577 4.664 -1.093) 5.043 4.468 ( 13.649 7.030 2.855) 15.616 5.350 ( -1.331 -3.784 -0.197) 4.016 5.961 ( 8.832 7.480 -3.212) 12.011 6.518 ( -1.512 -3.807 1.787) 4.470 6.602 ( -3.131 1.315 1.027) 3.548 7.021 ( 6.623 4.322 -7.816) 11.119 8.165 ( -8.950 -10.212 6.172) 14.916 8.318 ( -6.305 -0.764 -5.254) 8.243 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 4.887 6.538 0.567) 8.183 2.113 ( 7.133 14.333 1.988) 16.132 3.152 ( 15.075 12.929 -2.883) 20.068 3.782 ( 1.459 5.495 -1.003) 5.773 4.725 ( 9.061 3.278 1.318) 9.725 5.283 ( -1.164 -4.738 0.657) 4.923 6.166 ( 6.784 8.186 -1.946) 10.808 6.480 ( 0.532 -2.615 0.364) 2.694 6.588 ( -1.577 3.719 0.834) 4.124 7.051 ( -0.508 -1.301 -6.766) 6.909 7.839 ( -14.618 -8.614 -0.353) 16.971 8.360 ( 5.818 1.571 3.368) 6.904 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 4.476 5.371 -1.087) 7.076 2.354 ( 4.522 12.886 1.362) 13.724 3.449 ( 8.748 7.592 -4.630) 12.473 3.856 ( 0.568 6.513 -1.246) 6.656 4.811 ( -0.571 -1.494 -1.610) 2.270 5.269 ( 4.406 -3.122 4.692) 7.154 6.317 ( 1.428 7.150 1.302) 7.407 6.498 ( 4.359 -1.061 -1.794) 4.832 6.634 ( 1.391 6.029 -0.728) 6.230 6.978 ( -2.894 -2.423 -5.426) 6.610 7.557 ( -9.978 -5.610 2.972) 11.826 8.490 ( 6.090 0.478 1.717) 6.346 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 3.366 3.990 -2.139) 5.642 2.523 ( 0.799 11.112 1.081) 11.193 3.565 ( 2.158 2.109 -7.542) 8.123 3.911 ( -1.383 6.761 -1.933) 7.167 4.725 ( -3.641 -2.561 -2.978) 5.356 5.371 ( 5.851 -2.422 9.187) 11.158 6.360 ( -3.602 4.639 3.577) 6.877 6.595 ( 7.102 1.220 -3.065) 7.830 6.736 ( 2.770 7.033 -3.064) 8.156 6.871 ( -4.268 -2.979 -3.006) 6.010 7.422 ( -3.107 -2.311 5.772) 6.951 8.571 ( 3.868 -1.447 -0.920) 4.231 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 0.000 12.877 5.452) 13.983 1.511 ( 0.000 11.312 13.857) 17.888 2.041 ( -0.000 20.695 -2.821) 20.886 3.587 ( -0.000 1.726 -1.043) 2.017 3.886 ( 0.000 14.273 3.970) 14.815 5.434 ( -0.000 -3.509 -2.008) 4.043 5.512 ( 0.000 5.623 0.122) 5.625 6.488 ( -0.000 21.781 -10.536) 24.195 6.632 ( 0.000 -4.326 1.942) 4.742 6.728 ( 0.000 -1.710 0.461) 1.771 8.382 ( 0.000 -11.679 7.040) 13.636 8.855 ( -0.000 -3.836 -9.194) 9.962 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 4.264 13.734 3.098) 14.710 1.655 ( 1.352 7.864 8.948) 11.989 2.289 ( 5.411 24.332 -6.444) 25.746 3.637 ( 3.123 2.773 -0.964) 4.286 4.092 ( 5.146 14.588 5.107) 16.290 5.384 ( -0.856 -3.663 -0.472) 3.791 5.654 ( 7.571 7.230 0.533) 10.482 6.574 ( -1.066 -4.680 2.637) 5.476 6.678 ( -0.392 4.242 -2.631) 5.007 6.742 ( 5.293 10.422 -5.078) 12.745 8.266 ( -1.589 -12.465 6.795) 14.286 8.710 ( -8.054 -4.459 -10.427) 13.910 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 1.229 7.249 1.967) 7.611 1.875 ( 7.210 15.813 3.386) 17.706 2.650 ( 11.457 22.032 -4.316) 25.206 3.723 ( 2.806 4.663 -0.876) 5.512 4.357 ( 8.791 10.956 3.100) 14.385 5.328 ( -1.128 -4.578 0.877) 4.796 5.883 ( 9.084 9.295 -0.198) 12.999 6.512 ( -1.610 -4.384 2.312) 5.212 6.655 ( -1.576 0.554 -0.476) 1.737 6.940 ( 6.043 6.896 -5.394) 10.638 8.150 ( -1.057 -12.094 7.850) 14.457 8.454 ( -11.951 -2.163 -10.263) 15.901 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 2.917 7.225 0.405) 7.802 2.170 ( 6.718 17.131 2.208) 18.533 3.050 ( 12.988 17.251 -2.144) 21.699 3.817 ( 2.021 6.875 -0.748) 7.205 4.604 ( 9.153 5.994 0.614) 10.958 5.255 ( -1.810 -6.114 1.060) 6.464 6.128 ( 7.997 10.628 -0.850) 13.328 6.458 ( -0.844 -3.205 1.146) 3.506 6.650 ( -0.913 3.103 0.082) 3.235 7.014 ( 1.215 -0.268 -5.003) 5.155 7.965 ( -9.805 -11.709 1.796) 15.377 8.318 ( -0.004 1.813 -1.196) 2.172 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 3.388 6.487 -0.096) 7.319 2.442 ( 4.386 16.968 1.986) 17.637 3.378 ( 8.995 11.143 -2.204) 14.489 3.922 ( 1.050 9.633 -1.218) 9.766 4.770 ( 4.646 1.487 -0.707) 4.930 5.172 ( 1.086 -7.194 1.665) 7.463 6.348 ( 5.594 10.743 -0.784) 12.138 6.435 ( 0.946 -1.810 -0.170) 2.049 6.686 ( -0.094 5.555 0.465) 5.576 6.976 ( -1.516 -2.199 -4.218) 4.993 7.682 ( -10.901 -7.587 0.897) 13.311 8.393 ( 5.416 -0.108 2.025) 5.783 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 2.492 5.171 -0.652) 5.777 2.658 ( 0.882 16.126 2.193) 16.298 3.542 ( 2.387 4.706 -3.926) 6.577 4.019 ( -1.569 11.270 -2.904) 11.743 4.753 ( -3.582 -2.262 -2.750) 5.051 5.221 ( 9.412 -5.657 6.038) 12.532 6.445 ( 0.653 0.526 -0.063) 0.841 6.523 ( 3.936 8.936 -0.840) 9.801 6.757 ( 1.629 5.923 0.480) 6.162 6.905 ( -3.417 -1.015 -3.892) 5.277 7.484 ( -5.949 -4.243 3.375) 8.049 8.474 ( 4.661 -2.757 0.492) 5.438 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.000 14.193 0.808) 14.216 1.732 ( 0.000 6.078 2.933) 6.749 2.474 ( -0.000 25.535 -6.945) 26.463 3.626 ( -0.000 2.759 -0.312) 2.777 4.239 ( 0.000 17.272 6.250) 18.368 5.354 ( 0.000 -4.340 1.133) 4.486 5.675 ( 0.000 9.537 3.182) 10.054 6.546 ( 0.000 -4.863 3.242) 5.844 6.686 ( -0.000 -2.139 -1.518) 2.623 6.803 ( -0.000 13.752 -4.770) 14.556 8.166 ( 0.000 -13.913 5.372) 14.914 8.700 ( -0.000 -4.020 -11.818) 12.483 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.003 6.637 -1.582) 6.823 1.893 ( 7.594 13.745 0.140) 15.704 2.733 ( 4.288 23.585 -4.580) 24.405 3.693 ( 3.982 3.391 -0.277) 5.238 4.431 ( 0.703 15.647 4.661) 16.342 5.307 ( -0.993 -4.707 2.559) 5.449 5.849 ( 6.497 10.734 3.299) 12.974 6.503 ( -1.119 -4.066 2.985) 5.167 6.660 ( 0.121 -1.118 -2.092) 2.375 6.924 ( 2.493 6.983 -2.647) 7.873 8.048 ( 0.242 -13.561 5.239) 14.540 8.563 ( -6.970 -1.998 -11.742) 13.800 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 2.131 6.544 -1.791) 7.111 2.193 ( 9.960 15.092 0.091) 18.082 3.044 ( 8.143 19.246 -1.662) 20.964 3.813 ( 5.219 4.889 -0.328) 7.158 4.593 ( 1.795 10.844 1.518) 11.096 5.239 ( -2.413 -5.387 2.560) 6.434 6.099 ( 8.240 11.408 1.915) 14.202 6.452 ( -1.496 -2.889 1.803) 3.720 6.666 ( 1.402 1.406 -1.517) 2.499 6.982 ( 0.943 0.366 -2.107) 2.337 7.931 ( -1.177 -13.711 3.953) 14.318 8.397 ( -6.894 2.290 -7.559) 10.484 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 3.234 6.318 -0.615) 7.124 2.506 ( 8.385 15.654 0.414) 17.763 3.348 ( 8.056 13.128 -0.324) 15.407 3.965 ( 5.175 8.460 -0.219) 9.919 4.720 ( 3.452 5.510 -0.086) 6.503 5.129 ( -3.931 -7.061 0.950) 8.138 6.344 ( 6.490 10.269 0.110) 12.149 6.419 ( 0.034 -0.508 0.897) 1.031 6.722 ( 1.965 4.225 -0.477) 4.684 6.962 ( -0.734 -2.111 -1.810) 2.876 7.747 ( -6.187 -11.060 0.648) 12.690 8.353 ( -0.103 2.224 -0.996) 2.439 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 2.658 5.335 -0.049) 5.961 2.779 ( 5.092 15.600 1.248) 16.457 3.541 ( 3.293 6.259 -1.210) 7.176 4.139 ( 2.162 12.941 -1.481) 13.204 4.788 ( -1.748 1.606 -1.960) 3.079 5.028 ( 4.233 -9.010 2.959) 10.385 6.407 ( 1.499 -0.134 -0.472) 1.577 6.562 ( 4.442 10.155 -0.360) 11.090 6.787 ( 0.540 2.532 0.973) 2.766 6.938 ( -0.425 2.238 -1.758) 2.877 7.548 ( -6.251 -6.664 0.934) 9.184 8.385 ( 2.532 -1.553 0.549) 3.020 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -0.000 5.166 -4.791) 7.045 1.945 ( -0.000 13.701 -1.508) 13.784 2.909 ( -0.000 21.386 -3.094) 21.609 3.690 ( 0.000 3.587 0.476) 3.618 4.604 ( 0.000 14.848 3.878) 15.346 5.284 ( 0.000 -3.992 4.030) 5.673 5.915 ( 0.000 11.518 5.002) 12.557 6.490 ( 0.000 -2.802 3.317) 4.342 6.629 ( -0.000 -1.809 -3.284) 3.749 6.956 ( -0.000 3.736 -0.650) 3.792 7.926 ( 0.000 -13.230 3.252) 13.624 8.568 ( -0.000 -0.653 -11.631) 11.649 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 1.333 5.641 -3.997) 7.041 2.154 ( 8.952 12.925 -1.815) 15.827 3.126 ( 3.530 17.557 -0.513) 17.916 3.766 ( 4.234 3.832 0.469) 5.730 4.719 ( -1.827 9.639 1.752) 9.966 5.252 ( -2.173 -1.968 3.660) 4.690 6.098 ( 5.701 11.339 4.224) 13.376 6.465 ( -1.642 -1.437 2.325) 3.189 6.627 ( 2.592 -0.254 -2.827) 3.844 6.973 ( -0.028 -0.449 0.232) 0.506 7.811 ( 0.302 -12.685 1.730) 12.806 8.494 ( -4.510 2.093 -8.680) 10.003 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 3.233 5.724 -1.493) 6.741 2.461 ( 12.197 12.507 -1.709) 17.553 3.359 ( 5.666 12.379 1.521) 13.699 3.912 ( 7.791 5.109 0.759) 9.348 4.760 ( -0.953 3.819 1.081) 4.082 5.179 ( -6.173 -0.617 0.357) 6.214 6.333 ( 7.295 10.518 2.033) 12.960 6.430 ( -1.633 -0.310 1.009) 1.944 6.695 ( 4.535 2.609 -1.366) 5.407 6.950 ( -0.749 -2.610 0.759) 2.819 7.688 ( -1.137 -11.763 -0.213) 11.819 8.423 ( -4.410 3.626 -3.677) 6.791 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -0.000 5.324 -3.842) 6.565 2.184 ( -0.000 11.580 -1.739) 11.710 3.254 ( 0.000 14.016 1.552) 14.101 3.767 ( 0.000 3.578 0.768) 3.660 4.802 ( 0.000 2.191 1.612) 2.720 5.294 ( 0.000 3.573 2.054) 4.122 6.168 ( 0.000 10.041 4.312) 10.928 6.491 ( 0.000 0.983 2.918) 3.079 6.580 ( -0.000 -0.344 -3.414) 3.431 6.966 ( 0.000 -2.162 1.483) 2.622 7.694 ( -0.000 -11.033 -0.799) 11.062 8.529 ( -0.000 2.811 -6.734) 7.297 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 2.205 5.413 -1.192) 5.965 2.370 ( 9.306 10.114 -1.755) 13.855 3.406 ( 2.703 9.719 3.766) 10.768 3.844 ( 4.882 3.504 0.984) 6.090 4.791 ( -0.989 -2.635 2.330) 3.654 5.305 ( -4.702 5.671 -2.268) 7.708 6.315 ( 5.632 7.259 1.635) 9.332 6.482 ( -2.948 2.245 1.480) 3.990 6.632 ( 4.775 2.772 -0.478) 5.542 6.938 ( -0.628 -3.478 2.249) 4.189 7.586 ( -0.218 -9.447 -2.721) 9.833 8.515 ( -3.098 3.520 -3.189) 5.671 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.000 5.432 0.713) 5.478 2.371 ( -0.000 8.219 -0.904) 8.268 3.482 ( 0.000 6.623 6.513) 9.289 3.832 ( 0.000 2.463 0.518) 2.517 4.767 ( 0.000 -5.011 3.093) 5.888 5.394 ( -0.000 5.851 -6.102) 8.454 6.309 ( -0.000 2.352 -1.875) 3.008 6.573 ( 0.000 5.281 2.958) 6.053 6.609 ( 0.000 4.571 1.708) 4.880 6.914 ( 0.000 -4.412 2.821) 5.237 7.496 ( -0.000 -6.591 -4.941) 8.237 8.568 ( -0.000 3.300 -0.970) 3.439 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.000 -0.000 13.143) 13.143 1.034 ( 0.000 -0.000 13.143) 13.143 1.713 ( 0.000 -0.000 23.344) 23.344 3.559 ( -0.000 0.000 -1.460) 1.460 3.559 ( -0.000 0.000 -1.460) 1.460 5.459 ( -0.000 0.000 -3.869) 3.869 5.459 ( -0.000 0.000 -3.869) 3.869 5.811 ( -0.000 0.000 -12.564) 12.564 6.745 ( 0.000 -0.000 2.540) 2.540 6.745 ( 0.000 -0.000 2.540) 2.540 8.599 ( 0.000 -0.000 8.561) 8.561 8.961 ( -0.000 0.000 -4.486) 4.486 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 5.330 3.077 11.077) 12.672 1.271 ( 13.111 7.570 12.907) 19.894 1.781 ( 0.831 0.480 12.585) 12.622 3.565 ( 0.951 0.549 -1.434) 1.806 3.659 ( 9.181 5.301 0.567) 10.617 5.444 ( 0.370 0.214 -3.714) 3.739 5.526 ( 4.962 2.865 -4.698) 7.409 5.994 ( 18.407 10.627 -12.071) 24.443 6.716 ( -2.343 -1.353 2.899) 3.966 6.747 ( -1.395 -0.805 1.262) 2.046 8.572 ( -4.775 -2.757 8.662) 10.268 8.897 ( -4.708 -2.718 -6.105) 8.175 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 10.013 5.781 7.438) 13.747 1.541 ( 3.056 1.765 17.717) 18.065 1.959 ( 16.719 9.653 -5.040) 19.953 3.593 ( 1.903 1.099 -1.338) 2.572 3.954 ( 15.247 8.803 2.846) 17.835 5.425 ( -0.884 -0.511 -2.998) 3.167 5.650 ( 7.355 4.247 -5.262) 9.991 6.442 ( 21.148 12.210 -9.266) 26.118 6.662 ( -3.181 -1.837 3.243) 4.900 6.699 ( -2.297 -1.326 0.017) 2.653 8.456 ( -7.426 -4.288 8.940) 12.387 8.697 ( -10.759 -6.212 -7.545) 14.535 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 12.240 7.067 4.305) 14.774 1.620 ( 2.200 1.270 9.034) 9.385 2.419 ( 22.554 13.022 -3.558) 26.285 3.642 ( 2.753 1.589 -1.205) 3.399 4.320 ( 15.318 8.844 2.267) 17.833 5.389 ( -1.556 -0.899 -1.671) 2.454 5.821 ( 9.100 5.254 -5.327) 11.781 6.595 ( -2.965 -1.712 -0.135) 3.427 6.602 ( -3.011 -1.738 3.513) 4.942 6.864 ( 13.584 7.842 -7.779) 17.508 8.339 ( -5.005 -2.889 10.614) 12.086 8.375 ( -14.359 -8.290 -8.158) 18.478 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 5.363 3.096 3.926) 7.332 1.903 ( 12.190 7.038 2.390) 14.277 2.901 ( 19.875 11.475 -1.995) 23.036 3.707 ( 3.194 1.844 -1.061) 3.838 4.635 ( 11.398 6.581 1.125) 13.209 5.339 ( -2.367 -1.367 -1.289) 3.022 6.019 ( 9.519 5.496 -4.614) 11.921 6.531 ( -1.972 -1.139 -0.695) 2.381 6.557 ( -1.763 -1.018 3.391) 3.955 7.025 ( 2.889 1.668 -6.905) 7.669 8.002 ( -15.343 -8.858 -3.510) 18.061 8.352 ( 2.572 1.485 8.114) 8.640 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 5.865 3.386 1.262) 6.889 2.168 ( 10.302 5.948 1.451) 11.984 3.278 ( 13.594 7.848 -3.138) 16.007 3.775 ( 3.006 1.736 -0.848) 3.573 4.812 ( 2.876 1.660 -0.287) 3.333 5.302 ( 0.656 0.379 0.414) 0.863 6.203 ( 7.241 4.181 -2.352) 8.686 6.514 ( 1.076 0.621 -1.718) 2.120 6.552 ( 0.770 0.445 1.867) 2.069 6.999 ( -2.266 -1.308 -4.937) 5.587 7.685 ( -11.674 -6.740 0.935) 13.513 8.469 ( 4.741 2.737 4.936) 7.371 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.000 7.578 7.764) 10.849 1.276 ( 0.000 15.340 11.857) 19.388 1.845 ( 0.000 1.322 10.877) 10.957 3.557 ( -0.000 0.868 -1.141) 1.434 3.652 ( 0.000 9.670 0.585) 9.687 5.435 ( -0.000 1.981 -1.160) 2.295 5.464 ( -0.000 -0.499 -4.387) 4.415 5.977 ( -0.000 22.510 -11.011) 25.059 6.720 ( 0.000 -3.210 2.343) 3.974 6.759 ( 0.000 -0.907 1.123) 1.444 8.594 ( 0.000 -6.544 8.359) 10.616 8.895 ( -0.000 -2.924 -6.701) 7.311 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 3.603 10.825 5.796) 12.797 1.558 ( 6.957 9.515 15.072) 19.134 1.893 ( 2.096 9.971 -3.437) 10.753 3.584 ( 1.465 2.145 -1.033) 2.795 3.842 ( 8.761 11.821 2.494) 14.923 5.420 ( -0.827 -0.767 -2.444) 2.692 5.546 ( 7.017 3.514 -2.269) 8.169 6.287 ( 11.958 22.308 -8.336) 26.648 6.678 ( -1.457 -4.032 2.367) 4.897 6.731 ( -1.891 -1.363 0.256) 2.345 8.512 ( -3.350 -9.205 8.357) 12.876 8.774 ( -7.006 -4.837 -8.163) 11.794 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 6.807 11.588 3.771) 13.959 1.676 ( -0.620 3.500 9.592) 10.229 2.219 ( 16.849 19.345 -4.411) 26.030 3.635 ( 1.386 3.758 -0.881) 4.101 4.160 ( 13.617 10.163 1.839) 17.091 5.388 ( -0.809 -1.785 -1.326) 2.366 5.718 ( 8.102 6.748 -3.278) 11.042 6.602 ( -1.111 -2.161 1.260) 2.737 6.640 ( 1.783 2.585 -0.205) 3.147 6.728 ( 7.642 8.909 -4.532) 12.583 8.387 ( -3.238 -8.542 9.112) 12.902 8.514 ( -12.965 -6.822 -8.326) 16.851 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 2.852 4.334 4.076) 6.598 1.860 ( 7.174 14.462 3.071) 16.433 2.702 ( 18.515 16.790 -1.469) 25.038 3.699 ( 1.498 4.794 -0.796) 5.085 4.482 ( 13.396 6.843 0.048) 15.043 5.343 ( -1.454 -2.952 -1.037) 3.450 5.925 ( 8.221 8.938 -3.841) 12.737 6.532 ( -2.019 -3.759 0.616) 4.311 6.616 ( -2.560 0.653 1.712) 3.148 6.953 ( 6.176 4.958 -5.403) 9.587 8.166 ( -15.202 -8.443 -5.061) 18.110 8.339 ( 1.453 -3.406 8.493) 9.265 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 4.163 5.193 2.629) 7.156 2.134 ( 6.700 14.286 2.083) 15.917 3.130 ( 14.437 12.603 -1.396) 19.215 3.772 ( 1.398 5.501 -0.819) 5.735 4.730 ( 9.005 2.925 -0.343) 9.474 5.279 ( -0.707 -3.694 -1.565) 4.073 6.138 ( 7.204 9.541 -3.544) 12.469 6.480 ( -0.087 -2.645 -0.625) 2.720 6.602 ( -1.732 2.950 1.948) 3.936 6.995 ( -0.378 -0.739 -3.997) 4.082 7.828 ( -13.237 -7.238 -1.496) 15.161 8.414 ( 5.344 -0.583 6.948) 8.785 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 11.291 2.254) 11.513 1.648 ( 0.000 8.139 12.971) 15.314 1.985 ( -0.000 16.893 -8.017) 18.699 3.578 ( -0.000 1.897 -0.547) 1.974 3.928 ( 0.000 15.963 3.987) 16.453 5.413 ( -0.000 -1.983 -2.037) 2.843 5.524 ( 0.000 6.600 2.117) 6.931 6.402 ( -0.000 24.109 -6.259) 24.908 6.655 ( 0.000 -4.746 2.368) 5.304 6.727 ( -0.000 -2.299 -0.666) 2.393 8.455 ( 0.000 -12.572 7.359) 14.567 8.759 ( -0.000 -5.193 -9.665) 10.972 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 4.771 12.356 0.869) 13.274 1.730 ( 0.964 2.508 5.119) 5.781 2.225 ( 6.506 25.059 -5.451) 26.458 3.630 ( 2.938 2.910 -0.422) 4.157 4.138 ( 4.200 15.439 3.733) 16.429 5.379 ( -0.787 -2.269 -0.334) 2.425 5.665 ( 6.005 8.547 1.697) 10.583 6.602 ( -1.443 -4.668 2.569) 5.520 6.645 ( 3.041 12.013 -2.847) 12.715 6.709 ( 2.420 3.724 -1.905) 4.832 8.339 ( -0.775 -13.206 7.537) 15.225 8.602 ( -7.692 -5.705 -10.597) 14.284 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 1.951 5.171 0.739) 5.576 1.899 ( 7.529 14.293 1.328) 16.209 2.619 ( 12.456 22.299 -1.667) 25.596 3.717 ( 2.770 4.717 -0.318) 5.480 4.379 ( 7.345 11.151 1.092) 13.397 5.334 ( -1.469 -3.404 0.279) 3.718 5.882 ( 7.469 10.691 -0.067) 13.042 6.531 ( -2.133 -4.313 1.152) 4.948 6.651 ( -0.750 -0.074 -0.293) 0.809 6.901 ( 5.217 7.759 -2.083) 9.579 8.230 ( -1.986 -14.015 7.131) 15.849 8.358 ( -8.747 -1.671 -7.982) 11.958 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 3.471 5.902 1.248) 6.960 2.188 ( 7.136 16.584 1.201) 18.094 3.037 ( 12.991 17.277 -0.326) 21.619 3.812 ( 1.853 6.921 -0.250) 7.169 4.604 ( 8.723 6.076 -0.564) 10.646 5.257 ( -2.479 -5.260 -0.771) 5.866 6.116 ( 6.987 11.856 -1.501) 13.844 6.463 ( -1.395 -3.136 -0.221) 3.440 6.654 ( -0.231 2.459 0.823) 2.603 6.980 ( 0.570 0.416 -1.624) 1.771 7.963 ( -11.851 -9.986 -2.039) 15.631 8.335 ( 4.062 -1.143 4.317) 6.036 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -0.000 13.397 -1.180) 13.449 1.741 ( -0.000 1.692 -1.419) 2.208 2.416 ( -0.000 26.576 -4.043) 26.882 3.626 ( 0.000 2.995 0.271) 3.007 4.295 ( 0.000 17.450 4.483) 18.017 5.364 ( 0.000 -2.677 0.907) 2.827 5.715 ( 0.000 10.178 4.584) 11.163 6.576 ( 0.000 -4.606 2.381) 5.185 6.665 ( -0.000 -2.757 -2.491) 3.716 6.776 ( 0.000 15.092 -0.241) 15.093 8.225 ( 0.000 -14.911 6.310) 16.191 8.578 ( -0.000 -4.823 -12.208) 13.126 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.845 4.854 -3.092) 5.817 1.885 ( 8.425 13.016 -1.731) 15.602 2.702 ( 4.915 24.362 -1.569) 24.902 3.693 ( 3.657 3.585 0.302) 5.130 4.469 ( -0.251 15.145 2.657) 15.378 5.329 ( -1.297 -3.331 1.778) 3.992 5.885 ( 5.196 11.338 3.837) 13.049 6.527 ( -1.606 -3.925 1.603) 4.533 6.637 ( 0.778 -1.600 -2.303) 2.910 6.917 ( 1.960 7.556 1.451) 7.940 8.106 ( 0.899 -15.243 6.113) 16.448 8.445 ( -5.996 -1.470 -11.498) 13.051 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -0.000 4.820 -5.057) 6.986 1.926 ( -0.000 13.632 -2.137) 13.799 2.892 ( 0.000 22.488 -0.328) 22.490 3.697 ( 0.000 3.697 0.851) 3.793 4.633 ( 0.000 13.672 1.599) 13.766 5.319 ( 0.000 -2.946 2.752) 4.032 5.968 ( 0.000 11.524 5.266) 12.670 6.517 ( 0.000 -2.584 2.046) 3.296 6.594 ( -0.000 -2.142 -3.660) 4.240 6.970 ( 0.000 3.666 3.533) 5.091 7.963 ( 0.000 -15.309 3.964) 15.814 8.452 ( -0.000 0.995 -11.051) 11.096 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 0.000 -0.000 8.312) 8.312 1.143 ( 0.000 -0.000 8.312) 8.312 1.910 ( 0.000 -0.000 15.220) 15.220 3.545 ( -0.000 0.000 -1.083) 1.083 3.545 ( -0.000 0.000 -1.083) 1.083 5.426 ( -0.000 0.000 -2.544) 2.544 5.426 ( -0.000 0.000 -2.544) 2.544 5.700 ( -0.000 0.000 -8.854) 8.854 6.766 ( 0.000 -0.000 1.645) 1.645 6.766 ( 0.000 -0.000 1.645) 1.645 8.683 ( 0.000 -0.000 7.930) 7.930 8.912 ( -0.000 0.000 -5.295) 5.295 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 4.762 2.749 6.889) 8.814 1.371 ( 15.421 8.903 6.733) 19.037 1.885 ( -5.189 -2.996 7.690) 9.749 3.553 ( 0.924 0.533 -0.956) 1.433 3.664 ( 10.289 5.940 0.342) 11.886 5.414 ( 0.072 0.041 -1.998) 2.000 5.482 ( 4.400 2.540 -3.864) 6.383 5.900 ( 18.538 10.703 -6.346) 22.327 6.742 ( -2.038 -1.177 2.126) 3.172 6.755 ( -1.832 -1.058 0.346) 2.144 8.659 ( -4.458 -2.574 8.462) 9.905 8.831 ( -5.492 -3.171 -6.824) 9.315 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 9.141 5.277 4.698) 11.553 1.710 ( -0.299 -0.173 14.882) 14.886 1.894 ( 17.713 10.226 -7.270) 21.707 3.581 ( 1.875 1.083 -0.851) 2.326 3.971 ( 15.473 8.933 0.367) 17.870 5.402 ( -0.639 -0.369 -1.403) 1.585 5.598 ( 7.042 4.066 -4.862) 9.474 6.375 ( 21.875 12.630 -3.923) 25.562 6.693 ( -2.892 -1.670 2.649) 4.263 6.693 ( -3.111 -1.796 -1.073) 3.750 8.544 ( -7.873 -4.546 7.321) 11.673 8.625 ( -10.078 -5.819 -5.427) 12.840 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 11.576 6.683 2.992) 13.698 1.701 ( 0.257 0.148 6.434) 6.441 2.397 ( 23.300 13.452 -0.416) 26.907 3.631 ( 2.725 1.573 -0.827) 3.254 4.325 ( 15.200 8.776 -1.335) 17.602 5.374 ( -1.526 -0.881 -1.257) 2.164 5.766 ( 9.112 5.261 -5.351) 11.804 6.591 ( -3.258 -1.881 -0.694) 3.825 6.636 ( -2.800 -1.617 3.214) 4.559 6.800 ( 13.375 7.722 -4.696) 16.142 8.294 ( -13.380 -7.725 -7.337) 17.103 8.455 ( -5.077 -2.931 11.846) 13.218 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.000 6.283 3.043) 6.981 1.370 ( 0.000 17.277 6.561) 18.481 1.922 ( 0.000 -5.116 4.396) 6.746 3.548 ( -0.000 0.945 -0.560) 1.099 3.659 ( 0.000 11.240 0.728) 11.264 5.425 ( -0.000 -0.277 -3.045) 3.057 5.433 ( 0.000 3.058 0.740) 3.146 5.893 ( -0.000 22.192 -5.519) 22.868 6.741 ( 0.000 -3.010 1.702) 3.458 6.764 ( -0.000 -1.404 0.009) 1.404 8.677 ( 0.000 -6.458 8.004) 10.285 8.824 ( -0.000 -4.274 -7.377) 8.526 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 4.431 9.277 2.035) 10.480 1.690 ( 11.068 15.507 9.762) 21.407 1.841 ( -2.617 0.493 -5.756) 6.342 3.577 ( 1.367 2.236 -0.385) 2.649 3.861 ( 8.271 12.998 1.000) 15.439 5.403 ( -0.601 -0.608 -0.933) 1.265 5.529 ( 4.891 5.352 -0.848) 7.299 6.231 ( 12.665 22.566 -2.820) 26.031 6.698 ( -1.664 -3.892 1.222) 4.406 6.730 ( -1.665 -1.796 -0.274) 2.464 8.596 ( -3.116 -9.667 7.872) 12.850 8.691 ( -6.506 -5.665 -7.804) 11.633 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 7.284 10.687 1.579) 13.029 1.743 ( -1.270 0.820 2.853) 3.228 2.194 ( 18.487 19.753 0.167) 27.055 3.629 ( 1.250 3.887 -0.263) 4.091 4.163 ( 12.577 10.703 -1.159) 16.555 5.379 ( -0.958 -1.462 -0.417) 1.797 5.688 ( 6.374 8.274 -2.687) 10.784 6.611 ( -0.350 0.143 0.680) 0.778 6.637 ( 5.885 4.495 -0.740) 7.442 6.701 ( 2.598 4.712 -0.623) 5.417 8.416 ( -10.958 -6.376 -6.966) 14.466 8.499 ( -3.417 -9.922 9.022) 13.839 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -0.000 10.481 -1.299) 10.561 1.763 ( 0.000 0.418 8.143) 8.153 1.888 ( -0.000 20.491 -9.669) 22.658 3.576 ( 0.000 2.058 0.151) 2.063 3.961 ( 0.000 17.248 2.329) 17.404 5.398 ( -0.000 -1.020 -0.657) 1.213 5.554 ( 0.000 7.471 3.765) 8.367 6.363 ( -0.000 25.141 -1.368) 25.178 6.678 ( 0.000 -4.355 1.987) 4.787 6.715 ( -0.000 -2.860 -1.742) 3.348 8.529 ( 0.000 -13.093 6.937) 14.817 8.662 ( -0.000 -6.502 -9.145) 11.221 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 -0.000 2.850) 2.850 1.200 ( 0.000 -0.000 2.850) 2.850 2.015 ( 0.000 -0.000 5.317) 5.317 3.538 ( -0.000 0.000 -0.402) 0.402 3.538 ( -0.000 0.000 -0.402) 0.402 5.409 ( -0.000 0.000 -0.885) 0.885 5.409 ( -0.000 0.000 -0.885) 0.885 5.638 ( -0.000 0.000 -3.212) 3.212 6.778 ( 0.000 -0.000 0.568) 0.568 6.778 ( 0.000 -0.000 0.568) 0.568 8.755 ( 0.000 -0.000 5.445) 5.445 8.858 ( -0.000 0.000 -4.536) 4.536 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 1.65e-04 1.65e-04 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 4.825 2.786 2.016) 5.925 1.405 ( 16.030 9.255 -0.095) 18.510 1.934 ( -6.978 -4.029 1.970) 8.295 3.547 ( 0.878 0.507 -0.217) 1.037 3.665 ( 10.501 6.063 -0.268) 12.128 5.407 ( -0.138 -0.080 0.534) 0.557 5.450 ( 3.589 2.072 -2.487) 4.834 5.866 ( 18.908 10.916 -0.329) 21.835 6.753 ( -2.250 -1.299 -0.726) 2.698 6.759 ( -1.647 -0.951 1.113) 2.204 8.738 ( -2.875 -1.660 4.360) 5.480 8.763 ( -7.015 -4.050 -3.837) 8.963 =================== 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 3/40500 10.0 2087.682 2087.682 4132.991 -0.000 0.000 -0.000 3/40500 20.0 662.942 662.942 645.245 -0.000 0.000 -0.000 3/40500 30.0 244.540 244.540 188.334 -0.000 0.000 -0.000 3/40500 40.0 122.634 122.634 77.396 -0.000 0.000 -0.000 3/40500 50.0 74.274 74.274 41.219 0.000 -0.000 -0.000 3/40500 60.0 50.717 50.717 26.060 0.000 -0.000 -0.000 3/40500 70.0 37.630 37.630 18.451 0.000 -0.000 -0.000 3/40500 80.0 29.622 29.622 14.105 0.000 -0.000 -0.000 3/40500 90.0 24.340 24.340 11.373 0.000 -0.000 -0.000 3/40500 100.0 20.642 20.642 9.525 0.000 -0.000 -0.000 3/40500 110.0 17.928 17.928 8.204 0.000 -0.000 -0.000 3/40500 120.0 15.859 15.859 7.215 0.000 -0.000 -0.000 3/40500 130.0 14.232 14.232 6.449 0.000 -0.000 -0.000 3/40500 140.0 12.920 12.920 5.838 0.000 -0.000 -0.000 3/40500 150.0 11.838 11.838 5.338 0.000 -0.000 -0.000 3/40500 160.0 10.931 10.931 4.922 0.000 -0.000 -0.000 3/40500 170.0 10.159 10.159 4.570 0.000 -0.000 -0.000 3/40500 180.0 9.494 9.494 4.267 0.000 -0.000 -0.000 3/40500 190.0 8.914 8.914 4.004 0.000 -0.000 -0.000 3/40500 200.0 8.403 8.403 3.773 0.000 -0.000 -0.000 3/40500 210.0 7.951 7.951 3.569 0.000 -0.000 -0.000 3/40500 220.0 7.546 7.546 3.387 0.000 -0.000 -0.000 3/40500 230.0 7.182 7.182 3.223 0.000 -0.000 -0.000 3/40500 240.0 6.853 6.853 3.075 0.000 -0.000 -0.000 3/40500 250.0 6.554 6.554 2.940 0.000 -0.000 -0.000 3/40500 260.0 6.280 6.280 2.818 0.000 -0.000 -0.000 3/40500 270.0 6.029 6.029 2.705 0.000 -0.000 -0.000 3/40500 280.0 5.798 5.798 2.601 0.000 -0.000 -0.000 3/40500 290.0 5.585 5.585 2.506 0.000 -0.000 -0.000 3/40500 300.0 5.387 5.387 2.417 0.000 -0.000 -0.000 3/40500 310.0 5.203 5.203 2.335 0.000 -0.000 -0.000 3/40500 320.0 5.031 5.031 2.258 0.000 -0.000 -0.000 3/40500 330.0 4.871 4.871 2.186 0.000 -0.000 -0.000 3/40500 340.0 4.721 4.721 2.118 0.000 -0.000 -0.000 3/40500 350.0 4.580 4.580 2.055 0.000 -0.000 -0.000 3/40500 360.0 4.447 4.447 1.996 0.000 -0.000 -0.000 3/40500 370.0 4.322 4.322 1.940 0.000 -0.000 -0.000 3/40500 380.0 4.204 4.204 1.887 0.000 -0.000 -0.000 3/40500 390.0 4.092 4.092 1.837 0.000 -0.000 -0.000 3/40500 400.0 3.986 3.986 1.789 0.000 -0.000 -0.000 3/40500 410.0 3.886 3.886 1.744 0.000 -0.000 -0.000 3/40500 420.0 3.791 3.791 1.702 0.000 -0.000 -0.000 3/40500 430.0 3.700 3.700 1.661 0.000 -0.000 -0.000 3/40500 440.0 3.613 3.613 1.622 0.000 -0.000 -0.000 3/40500 450.0 3.531 3.531 1.585 0.000 -0.000 -0.000 3/40500 460.0 3.452 3.452 1.550 0.000 -0.000 -0.000 3/40500 470.0 3.377 3.377 1.516 0.000 -0.000 -0.000 3/40500 480.0 3.305 3.305 1.484 0.000 -0.000 -0.000 3/40500 490.0 3.236 3.236 1.453 0.000 -0.000 -0.000 3/40500 500.0 3.170 3.170 1.423 0.000 -0.000 -0.000 3/40500 510.0 3.106 3.106 1.395 0.000 -0.000 -0.000 3/40500 520.0 3.046 3.046 1.368 0.000 -0.000 -0.000 3/40500 530.0 2.987 2.987 1.341 0.000 -0.000 -0.000 3/40500 540.0 2.931 2.931 1.316 0.000 -0.000 -0.000 3/40500 550.0 2.876 2.876 1.292 0.000 -0.000 -0.000 3/40500 560.0 2.824 2.824 1.268 0.000 -0.000 -0.000 3/40500 570.0 2.774 2.774 1.246 0.000 -0.000 -0.000 3/40500 580.0 2.725 2.725 1.224 0.000 -0.000 -0.000 3/40500 590.0 2.678 2.678 1.203 0.000 -0.000 -0.000 3/40500 600.0 2.633 2.633 1.183 0.000 -0.000 -0.000 3/40500 610.0 2.589 2.589 1.163 0.000 -0.000 -0.000 3/40500 620.0 2.547 2.547 1.144 0.000 -0.000 -0.000 3/40500 630.0 2.506 2.506 1.126 0.000 -0.000 -0.000 3/40500 640.0 2.466 2.466 1.108 0.000 -0.000 -0.000 3/40500 650.0 2.428 2.428 1.091 0.000 -0.000 -0.000 3/40500 660.0 2.391 2.391 1.074 0.000 -0.000 -0.000 3/40500 670.0 2.355 2.355 1.058 0.000 -0.000 -0.000 3/40500 680.0 2.320 2.320 1.042 0.000 -0.000 -0.000 3/40500 690.0 2.286 2.286 1.027 0.000 -0.000 -0.000 3/40500 700.0 2.253 2.253 1.012 0.000 -0.000 -0.000 3/40500 710.0 2.221 2.221 0.998 0.000 -0.000 -0.000 3/40500 720.0 2.190 2.190 0.984 0.000 -0.000 -0.000 3/40500 730.0 2.159 2.159 0.970 0.000 -0.000 -0.000 3/40500 740.0 2.130 2.130 0.957 0.000 -0.000 -0.000 3/40500 750.0 2.101 2.101 0.944 0.000 -0.000 -0.000 3/40500 760.0 2.073 2.073 0.932 0.000 -0.000 -0.000 3/40500 770.0 2.046 2.046 0.919 0.000 -0.000 -0.000 3/40500 780.0 2.020 2.020 0.907 0.000 -0.000 -0.000 3/40500 790.0 1.994 1.994 0.896 0.000 -0.000 -0.000 3/40500 800.0 1.969 1.969 0.885 0.000 -0.000 -0.000 3/40500 810.0 1.944 1.944 0.874 0.000 -0.000 -0.000 3/40500 820.0 1.920 1.920 0.863 0.000 -0.000 -0.000 3/40500 830.0 1.897 1.897 0.852 0.000 -0.000 -0.000 3/40500 840.0 1.874 1.874 0.842 0.000 -0.000 -0.000 3/40500 850.0 1.852 1.852 0.832 0.000 -0.000 -0.000 3/40500 860.0 1.830 1.830 0.823 0.000 -0.000 -0.000 3/40500 870.0 1.809 1.809 0.813 0.000 -0.000 -0.000 3/40500 880.0 1.789 1.789 0.804 0.000 -0.000 -0.000 3/40500 890.0 1.768 1.768 0.795 0.000 -0.000 -0.000 3/40500 900.0 1.749 1.749 0.786 0.000 -0.000 -0.000 3/40500 910.0 1.729 1.729 0.777 0.000 -0.000 -0.000 3/40500 920.0 1.710 1.710 0.769 0.000 -0.000 -0.000 3/40500 930.0 1.692 1.692 0.760 0.000 -0.000 -0.000 3/40500 940.0 1.674 1.674 0.752 0.000 -0.000 -0.000 3/40500 950.0 1.656 1.656 0.744 0.000 -0.000 -0.000 3/40500 960.0 1.639 1.639 0.737 0.000 -0.000 -0.000 3/40500 970.0 1.622 1.622 0.729 0.000 -0.000 -0.000 3/40500 980.0 1.605 1.605 0.721 0.000 -0.000 -0.000 3/40500 990.0 1.589 1.589 0.714 0.000 -0.000 -0.000 3/40500 1000.0 1.573 1.573 0.707 0.000 -0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:01:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|