----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:38:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.858176781644425 1.072818865084319 6.495201493333326 b -1.858176781644421 1.072818865084319 6.495201493333326 c 0.000000000000002 -2.145637730168641 6.495201493333326 Atomic positions (fractional): *1 O 0.22690106205974 0.22690106205974 0.22690106205974 15.999 2 O 0.77309893794026 0.77309893794026 0.77309893794026 15.999 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.716353563288846 0.000000000000000 0.000000000000000 b -1.858176781644423 3.218456595252960 0.000000000000000 c 0.000000000000000 0.000000000000000 19.485604479999999 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22690106205974 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.10643227127359 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.56023439539308 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.43976560460692 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.89356772872641 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.77309893794026 15.999 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 La 0.33333333333333 0.66666666666667 0.16666666666667 138.905 > 4 11 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 4 12 La 0.66666666666667 0.33333333333333 0.83333333333333 138.905 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.149060689866538 0.000000000000000 0.000000000000000 b -5.574530344933269 9.655369785758880 0.000000000000000 c 0.000000000000000 0.000000000000000 19.485604479999999 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22690106205974 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22690106205974 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22690106205974 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22690106205974 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22690106205974 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22690106205974 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22690106205974 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22690106205974 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22690106205974 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10643227127359 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.10643227127359 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.10643227127359 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.10643227127359 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.10643227127359 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.10643227127359 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.10643227127359 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.10643227127359 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.10643227127359 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.56023439539308 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56023439539308 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56023439539308 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56023439539308 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56023439539308 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56023439539308 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56023439539308 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56023439539308 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56023439539308 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43976560460692 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.43976560460692 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.43976560460692 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.43976560460692 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.43976560460692 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.43976560460692 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.43976560460692 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.43976560460692 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.43976560460692 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.89356772872641 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89356772872641 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89356772872641 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89356772872641 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89356772872641 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89356772872641 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89356772872641 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89356772872641 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89356772872641 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77309893794026 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.77309893794026 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.77309893794026 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.77309893794026 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.77309893794026 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.77309893794026 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.77309893794026 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.77309893794026 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.77309893794026 15.999 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 4 83 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 4 84 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 4 85 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 4 86 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 4 87 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 4 88 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 4 89 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 4 90 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 4 91 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 4 92 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 4 93 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 4 94 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 4 95 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 4 96 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 4 97 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 4 98 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 4 99 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 4 100 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 4 101 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 4 102 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 4 103 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 4 104 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 4 105 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 4 106 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 4 107 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 4 108 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0573595 -0.0000000 0.0000000 0.0000000 4.0573595 0.0000000 0.0000000 0.0000000 3.4446635 -------------------------- Born effective charges -------------------------- 1 O -2.7952622 -0.0000000 0.0000000 0.0000000 -2.7952622 0.0000000 0.0000000 0.0000000 -2.0677935 2 O -2.7952622 -0.0000000 0.0000000 0.0000000 -2.7952622 0.0000000 0.0000000 0.0000000 -2.0677935 3 Rb 1.0729447 0.0000000 0.0000000 0.0000000 1.0729447 0.0000000 0.0000000 0.0000000 1.6170182 4 La 4.5175797 -0.0000000 0.0000000 0.0000000 4.5175797 0.0000000 0.0000000 0.0000000 2.5185688 ---------------------------------------------------------------------------- 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: 192 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): 0.005 Solver_block: 80 / 80 - Time: 0.115 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.122 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 192 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 22:38:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.858176781644425 1.072818865084319 6.495201493333326 b -1.858176781644421 1.072818865084319 6.495201493333326 c 0.000000000000002 -2.145637730168641 6.495201493333326 Atomic positions (fractional): 1 O 0.22690106205974 0.22690106205974 0.22690106205974 15.999 2 O 0.77309893794026 0.77309893794026 0.77309893794026 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.149060689866538 0.000000000000000 0.000000000000000 b -5.574530344933269 9.655369785758880 0.000000000000000 c 0.000000000000000 0.000000000000000 19.485604479999999 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22690106205974 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22690106205974 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22690106205974 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22690106205974 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22690106205974 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22690106205974 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22690106205974 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22690106205974 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22690106205974 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10643227127359 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10643227127359 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10643227127359 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10643227127359 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10643227127359 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10643227127359 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10643227127359 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10643227127359 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10643227127359 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.56023439539308 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56023439539308 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56023439539308 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56023439539308 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56023439539308 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56023439539308 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56023439539308 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56023439539308 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56023439539308 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43976560460692 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.43976560460692 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.43976560460692 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.43976560460692 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.43976560460692 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.43976560460692 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.43976560460692 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.43976560460692 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.43976560460692 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89356772872641 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89356772872641 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89356772872641 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89356772872641 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89356772872641 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89356772872641 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89356772872641 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89356772872641 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89356772872641 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77309893794026 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77309893794026 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77309893794026 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77309893794026 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77309893794026 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77309893794026 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77309893794026 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77309893794026 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77309893794026 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 82 83 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 82 84 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 82 85 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 82 86 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 82 87 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 82 88 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 82 89 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 82 90 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 82 91 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 82 92 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 82 93 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 82 94 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 82 95 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 82 96 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 82 97 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 82 98 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 82 99 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 82 100 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 82 101 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 82 102 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 82 103 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 82 104 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 82 105 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 82 106 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 82 107 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 82 108 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0573595 -0.0000000 0.0000000 0.0000000 4.0573595 0.0000000 0.0000000 0.0000000 3.4446635 -------------------------- Born effective charges -------------------------- 1 O -2.7952622 -0.0000000 0.0000000 0.0000000 -2.7952622 0.0000000 0.0000000 0.0000000 -2.0677935 2 O -2.7952622 -0.0000000 0.0000000 0.0000000 -2.7952622 0.0000000 0.0000000 0.0000000 -2.0677935 3 Rb 1.0729447 0.0000000 0.0000000 0.0000000 1.0729447 0.0000000 0.0000000 0.0000000 1.6170182 4 La 4.5175797 -0.0000000 0.0000000 0.0000000 4.5175797 0.0000000 0.0000000 0.0000000 2.5185688 ---------------------------------------------------------------------------- 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[ 55, 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 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 22:38:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:38:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.858176781644425 1.072818865084319 6.495201493333326 b -1.858176781644421 1.072818865084319 6.495201493333326 c 0.000000000000002 -2.145637730168641 6.495201493333326 Atomic positions (fractional): 1 O 0.22690106205974 0.22690106205974 0.22690106205974 15.999 2 O 0.77309893794026 0.77309893794026 0.77309893794026 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.149060689866538 0.000000000000000 0.000000000000000 b -5.574530344933269 9.655369785758880 0.000000000000000 c 0.000000000000000 0.000000000000000 19.485604479999999 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22690106205974 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22690106205974 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22690106205974 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22690106205974 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22690106205974 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22690106205974 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22690106205974 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22690106205974 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22690106205974 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10643227127359 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10643227127359 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10643227127359 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10643227127359 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10643227127359 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10643227127359 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10643227127359 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10643227127359 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10643227127359 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.56023439539308 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56023439539308 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56023439539308 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56023439539308 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56023439539308 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56023439539308 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56023439539308 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56023439539308 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56023439539308 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43976560460692 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.43976560460692 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.43976560460692 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.43976560460692 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.43976560460692 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.43976560460692 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.43976560460692 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.43976560460692 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.43976560460692 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89356772872641 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89356772872641 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89356772872641 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89356772872641 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89356772872641 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89356772872641 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89356772872641 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89356772872641 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89356772872641 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77309893794026 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77309893794026 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77309893794026 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77309893794026 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77309893794026 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77309893794026 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77309893794026 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77309893794026 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77309893794026 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 La 0.11111111111111 0.22222222222222 0.16666666666667 138.905 > 82 83 La 0.44444444444444 0.22222222222222 0.16666666666667 138.905 > 82 84 La 0.77777777777778 0.22222222222222 0.16666666666667 138.905 > 82 85 La 0.11111111111111 0.55555555555556 0.16666666666667 138.905 > 82 86 La 0.44444444444444 0.55555555555556 0.16666666666667 138.905 > 82 87 La 0.77777777777778 0.55555555555556 0.16666666666667 138.905 > 82 88 La 0.11111111111111 0.88888888888889 0.16666666666667 138.905 > 82 89 La 0.44444444444444 0.88888888888889 0.16666666666667 138.905 > 82 90 La 0.77777777777778 0.88888888888889 0.16666666666667 138.905 > 82 91 La 0.00000000000000 0.00000000000000 0.50000000000000 138.905 > 82 92 La 0.33333333333333 0.00000000000000 0.50000000000000 138.905 > 82 93 La 0.66666666666667 0.00000000000000 0.50000000000000 138.905 > 82 94 La 0.00000000000000 0.33333333333333 0.50000000000000 138.905 > 82 95 La 0.33333333333333 0.33333333333333 0.50000000000000 138.905 > 82 96 La 0.66666666666667 0.33333333333333 0.50000000000000 138.905 > 82 97 La 0.00000000000000 0.66666666666667 0.50000000000000 138.905 > 82 98 La 0.33333333333333 0.66666666666667 0.50000000000000 138.905 > 82 99 La 0.66666666666667 0.66666666666667 0.50000000000000 138.905 > 82 100 La 0.22222222222222 0.11111111111111 0.83333333333333 138.905 > 82 101 La 0.55555555555556 0.11111111111111 0.83333333333333 138.905 > 82 102 La 0.88888888888889 0.11111111111111 0.83333333333333 138.905 > 82 103 La 0.22222222222222 0.44444444444444 0.83333333333333 138.905 > 82 104 La 0.55555555555556 0.44444444444444 0.83333333333333 138.905 > 82 105 La 0.88888888888889 0.44444444444444 0.83333333333333 138.905 > 82 106 La 0.22222222222222 0.77777777777778 0.83333333333333 138.905 > 82 107 La 0.55555555555556 0.77777777777778 0.83333333333333 138.905 > 82 108 La 0.88888888888889 0.77777777777778 0.83333333333333 138.905 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0573595 -0.0000000 0.0000000 0.0000000 4.0573595 0.0000000 0.0000000 0.0000000 3.4446635 -------------------------- Born effective charges -------------------------- 1 O -2.7952622 -0.0000000 0.0000000 0.0000000 -2.7952622 0.0000000 0.0000000 0.0000000 -2.0677935 2 O -2.7952622 -0.0000000 0.0000000 0.0000000 -2.7952622 0.0000000 0.0000000 0.0000000 -2.0677935 3 Rb 1.0729447 0.0000000 0.0000000 0.0000000 1.0729447 0.0000000 0.0000000 0.0000000 1.6170182 4 La 4.5175797 -0.0000000 0.0000000 0.0000000 4.5175797 0.0000000 0.0000000 0.0000000 2.5185688 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) 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 ... [ 16 16 16 ] 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: 0.97, Number of G-points: 313, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/417) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.423 ( 0.000 0.000 0.000) 0.000 12.347 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/417) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 17.943 10.359 7.708) 22.106 0.519 ( 22.591 13.043 1.163) 26.111 1.004 ( 40.823 23.569 4.516) 47.354 1.945 ( 3.048 1.760 -0.991) 3.657 2.089 ( 14.728 8.503 -0.024) 17.007 3.900 ( -0.615 -0.355 2.757) 2.847 6.019 ( 2.563 1.479 0.192) 2.965 8.025 ( -15.609 -9.012 -2.963) 18.266 8.345 ( -2.963 -1.711 0.077) 3.422 8.715 ( 15.512 8.956 -15.389) 23.615 12.172 ( -15.018 -8.671 1.535) 17.410 13.968 ( 4.156 2.399 -20.310) 20.869 ======================= Grid point 2 (3/417) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 17.404 10.048 5.771) 20.908 1.007 ( 20.142 11.629 1.571) 23.311 1.762 ( 24.886 14.368 3.651) 28.967 2.049 ( 6.886 3.976 -1.880) 8.171 2.640 ( 34.043 19.655 0.619) 39.314 3.887 ( -0.997 -0.575 -0.668) 1.330 6.107 ( 5.204 3.004 0.067) 6.009 7.680 ( -14.250 -8.227 -0.859) 16.477 8.253 ( -5.036 -2.907 0.283) 5.822 8.966 ( 9.821 5.670 -7.644) 13.675 11.733 ( -23.902 -13.800 4.735) 28.003 13.968 ( 0.234 0.135 -14.107) 14.110 ======================= Grid point 3 (4/417) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 16.635 9.604 4.103) 19.641 1.408 ( 14.639 8.452 1.785) 16.997 2.219 ( 16.696 9.640 2.856) 19.489 2.253 ( 12.025 6.943 -2.282) 14.071 3.497 ( 39.384 22.739 0.572) 45.481 3.845 ( -2.321 -1.340 -2.814) 3.886 6.249 ( 7.418 4.283 -0.526) 8.582 7.394 ( -10.433 -6.024 -2.722) 12.351 8.134 ( -5.399 -3.117 0.708) 6.274 9.090 ( 2.685 1.550 -4.574) 5.526 11.169 ( -27.842 -16.075 9.413) 33.499 13.880 ( -3.883 -2.242 -14.031) 14.730 ======================= Grid point 4 (5/417) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 15.746 9.091 3.583) 18.532 1.671 ( 8.749 5.051 1.328) 10.190 2.561 ( 15.293 8.829 -1.805) 17.750 2.563 ( 13.461 7.772 2.151) 15.692 3.760 ( -4.158 -2.400 -4.800) 6.789 4.336 ( 34.180 19.734 0.561) 39.472 6.424 ( 8.023 4.632 -1.464) 9.379 7.211 ( -4.462 -2.576 -4.683) 6.962 8.033 ( -3.495 -2.018 1.325) 4.248 9.048 ( -5.068 -2.926 -5.040) 7.723 10.565 ( -29.128 -16.817 13.912) 36.398 13.723 ( -5.582 -3.223 -13.889) 15.312 ======================= Grid point 5 (6/417) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 5.338 3.082 0.740) 6.208 1.978 ( 14.805 8.548 4.203) 17.604 2.837 ( 10.551 6.092 0.700) 12.204 2.892 ( 13.978 8.070 -1.088) 16.177 3.627 ( -6.334 -3.657 -4.683) 8.685 5.001 ( 24.682 14.250 -0.465) 28.504 6.581 ( 6.208 3.584 -2.248) 7.512 7.181 ( 3.473 2.005 -5.065) 6.460 7.999 ( 0.194 0.112 1.825) 1.838 8.846 ( -10.549 -6.090 -6.693) 13.898 9.952 ( -29.765 -17.185 15.039) 37.516 13.567 ( -4.240 -2.448 -11.652) 12.639 ======================= Grid point 6 (7/417) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 3.283 1.895 0.369) 3.808 2.314 ( 13.733 7.928 5.451) 16.768 3.038 ( 7.499 4.330 -2.456) 9.001 3.160 ( 9.945 5.742 -0.570) 11.498 3.448 ( -8.393 -4.845 -2.741) 10.071 5.437 ( 14.747 8.514 -1.203) 17.071 6.680 ( 3.279 1.893 -2.223) 4.391 7.334 ( 11.148 6.436 -3.754) 13.409 8.047 ( 3.104 1.792 1.717) 3.974 8.572 ( -11.080 -6.397 -6.342) 14.280 9.326 ( -29.682 -17.137 11.460) 36.139 13.468 ( -1.760 -1.016 -7.703) 7.967 ======================= Grid point 7 (8/417) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 1.605 0.927 0.154) 1.860 2.626 ( 12.214 7.051 6.842) 15.675 3.131 ( 0.458 0.265 -13.100) 13.110 3.262 ( -6.175 -3.565 6.503) 9.650 3.327 ( 5.026 2.902 -0.239) 5.808 5.674 ( 7.104 4.102 -0.999) 8.264 6.722 ( 1.199 0.692 -1.324) 1.916 7.637 ( 16.217 9.363 -2.280) 18.864 8.124 ( 2.809 1.622 0.988) 3.391 8.339 ( -8.307 -4.796 -3.399) 10.177 8.723 ( -25.158 -14.525 5.862) 29.636 13.430 ( -0.266 -0.154 -3.607) 3.620 ======================= Grid point 8 (9/417) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 554 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.993 ( -0.000 -0.000 -0.000) 0.000 3.245 ( 0.000 0.000 -0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 5.753 ( 0.000 0.000 0.000) 0.000 6.732 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 8.135 ( -0.000 -0.000 0.000) 0.000 8.159 ( 0.000 0.000 -0.000) 0.000 8.403 ( 0.000 0.000 -0.000) 0.000 13.423 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 18 (10/417) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 0.000 19.062 16.282) 25.069 0.547 ( 0.000 25.260 6.697) 26.132 1.010 ( -0.000 46.456 6.031) 46.846 1.947 ( -0.000 3.777 -0.424) 3.801 2.081 ( -0.000 16.807 -1.745) 16.897 3.910 ( 0.000 -2.469 4.627) 5.244 6.023 ( 0.000 3.092 0.997) 3.249 7.986 ( -0.000 -13.653 -11.785) 18.035 8.340 ( 0.000 -3.612 -0.919) 3.727 8.669 ( -0.000 22.185 -22.084) 31.303 12.174 ( 0.000 -17.753 1.961) 17.861 13.883 ( -0.000 12.690 -34.143) 36.425 ======================= Grid point 19 (11/417) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 8.472 16.836 12.304) 22.508 0.911 ( 11.213 21.401 4.521) 24.580 1.609 ( 17.068 28.394 5.574) 33.595 2.019 ( 3.049 6.835 -1.392) 7.612 2.435 ( 17.464 28.531 -0.925) 33.465 3.892 ( -0.743 -1.290 -0.007) 1.489 6.082 ( 2.244 4.711 1.101) 5.333 7.761 ( -7.554 -13.981 -2.148) 16.036 8.273 ( -2.166 -4.922 -0.904) 5.453 8.865 ( 7.041 13.212 -13.831) 20.382 11.873 ( -11.924 -23.068 3.818) 26.247 13.915 ( 1.543 5.287 -20.874) 21.589 ======================= Grid point 20 (12/417) ======================= q-point: ( 0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 11.468 14.106 7.880) 19.814 1.308 ( 11.797 15.690 3.360) 19.915 2.084 ( 13.822 15.001 3.948) 20.777 2.187 ( 7.168 12.044 -1.969) 14.154 3.165 ( 30.517 32.489 -0.235) 44.574 3.856 ( -1.633 -1.250 -2.451) 3.199 6.198 ( 4.739 6.343 0.758) 7.954 7.483 ( -9.806 -10.249 -1.698) 14.286 8.175 ( -3.453 -4.696 -0.325) 5.838 9.024 ( 5.094 4.483 -8.359) 10.767 11.393 ( -18.584 -24.788 7.692) 31.922 13.875 ( -2.669 0.597 -16.634) 16.857 ======================= Grid point 21 (13/417) ======================= q-point: ( 0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 12.723 11.422 5.131) 17.851 1.611 ( 8.192 10.424 2.202) 13.439 2.421 ( 11.630 10.680 1.104) 15.829 2.489 ( 11.137 16.759 0.351) 20.125 3.766 ( -0.380 -1.385 -8.090) 8.216 4.019 ( 28.976 26.766 3.493) 39.601 6.364 ( 6.196 8.028 -0.022) 10.140 7.248 ( -6.838 -6.557 -3.607) 10.137 8.077 ( -3.504 -2.712 0.420) 4.451 9.049 ( -0.738 -2.409 -6.974) 7.415 10.843 ( -21.859 -24.362 12.323) 34.974 13.741 ( -5.645 -2.109 -15.323) 16.466 ======================= Grid point 22 (14/417) ======================= q-point: ( 0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 7.083 5.966 2.595) 9.618 1.855 ( 11.224 11.066 2.514) 15.961 2.702 ( 10.843 6.914 0.610) 12.874 2.846 ( 9.816 19.020 0.331) 21.407 3.663 ( -4.423 -3.821 -6.306) 8.598 4.739 ( 25.813 20.596 0.773) 33.032 6.546 ( 5.178 9.326 -1.132) 10.727 7.124 ( -0.028 -3.239 -4.606) 5.631 8.022 ( -1.614 0.319 1.268) 2.077 8.911 ( -7.035 -6.716 -8.105) 12.660 10.270 ( -24.295 -22.702 14.749) 36.375 13.573 ( -5.068 -3.187 -13.110) 14.412 ======================= Grid point 23 (15/417) ======================= q-point: ( 0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 2.828 5.160 0.904) 5.953 2.179 ( 13.385 9.220 3.517) 16.629 2.916 ( 8.844 3.144 -1.582) 9.519 3.167 ( 5.725 18.977 0.287) 19.823 3.512 ( -6.263 -4.901 -4.195) 8.991 5.265 ( 17.256 12.833 -0.439) 21.509 6.696 ( 1.739 10.109 -2.016) 10.454 7.166 ( 9.041 -0.924 -3.793) 9.848 8.041 ( 1.099 2.976 1.850) 3.672 8.664 ( -9.830 -7.368 -8.256) 14.801 9.674 ( -27.135 -19.879 12.480) 35.878 13.445 ( -1.814 -3.360 -9.057) 9.829 ======================= Grid point 24 (16/417) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 0.679 4.686 0.299) 4.744 2.497 ( 13.178 7.591 4.313) 15.808 3.037 ( 4.981 -0.462 -8.059) 9.485 3.343 ( -6.662 -5.156 1.989) 8.656 3.397 ( 0.266 17.466 -0.008) 17.468 5.578 ( 9.745 6.595 -1.077) 11.816 6.787 ( -2.083 10.713 -1.994) 11.094 7.369 ( 16.639 -1.523 -2.116) 16.842 8.108 ( 1.834 3.116 1.490) 3.910 8.427 ( -7.763 -4.178 -5.884) 10.599 9.069 ( -27.857 -14.278 7.329) 32.150 13.388 ( 1.266 -3.468 -4.432) 5.768 ======================= Grid point 25 (17/417) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -1.192 3.984 -0.068) 4.159 2.785 ( 10.439 4.679 5.167) 12.552 2.986 ( -2.837 -3.418 -14.415) 15.084 3.246 ( -1.753 -3.580 7.340) 8.353 3.513 ( -5.188 14.948 0.083) 15.823 5.728 ( 3.705 1.879 -0.752) 4.222 6.828 ( -4.718 10.843 -1.159) 11.881 7.630 ( 18.230 -9.473 -0.936) 20.565 8.144 ( -0.068 0.880 -0.159) 0.897 8.313 ( -2.966 1.771 -1.465) 3.752 8.574 ( -20.185 -1.369 2.327) 20.365 13.381 ( 2.645 -3.676 -0.403) 4.547 ======================= Grid point 26 (18/417) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -2.878 2.918 -0.343) 4.113 2.719 ( -9.569 -6.489 -8.513) 14.357 3.094 ( 10.582 4.618 4.960) 12.566 3.204 ( -1.430 -3.983 1.621) 4.531 3.513 ( -10.334 11.927 0.081) 15.781 5.733 ( -2.979 -2.071 0.218) 3.635 6.834 ( -6.321 9.828 0.035) 11.685 7.636 ( 0.055 -20.759 0.380) 20.763 8.148 ( -1.267 0.653 0.551) 1.528 8.332 ( 1.385 4.831 2.443) 5.588 8.540 ( 9.151 15.317 -4.661) 18.441 13.398 ( 3.005 -3.439 3.080) 5.509 ======================= Grid point 27 (19/417) ======================= q-point: (-0.38 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -4.387 1.460 -0.616) 4.664 2.441 ( -12.296 -6.672 -7.116) 15.695 3.099 ( -5.277 -5.884 4.160) 8.932 3.332 ( 7.946 4.054 0.206) 8.923 3.404 ( -12.516 8.505 1.334) 15.191 5.588 ( -10.415 -5.299 0.986) 11.727 6.803 ( -7.680 7.226 1.235) 10.617 7.390 ( -5.841 -15.413 2.154) 16.623 8.097 ( -4.407 -0.113 -0.692) 4.462 8.484 ( 8.430 5.993 5.698) 11.809 8.983 ( 24.550 15.768 -10.189) 30.906 13.441 ( 3.785 -2.069 6.443) 7.753 ======================= Grid point 28 (20/417) ======================= q-point: (-0.31 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -5.908 -0.502 -1.031) 6.018 2.138 ( -14.111 -5.951 -4.906) 16.081 2.932 ( -8.580 -6.296 1.580) 10.759 3.164 ( -18.877 4.083 -0.250) 19.315 3.549 ( 8.367 3.302 3.264) 9.569 5.271 ( -20.001 -8.985 0.901) 21.945 6.715 ( -9.473 3.164 1.891) 10.165 7.204 ( -2.763 -8.540 3.993) 9.824 8.024 ( -3.303 0.661 -1.558) 3.711 8.736 ( 11.276 5.673 6.433) 14.167 9.546 ( 29.491 13.138 -13.836) 35.125 13.535 ( 5.496 0.359 9.368) 10.867 ======================= Grid point 29 (21/417) ======================= q-point: (-0.25 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -9.681 -4.786 -2.435) 11.070 1.834 ( -14.348 -2.578 -1.906) 14.702 2.700 ( -12.091 -6.087 0.303) 13.541 2.846 ( -21.204 0.758 0.148) 21.218 3.709 ( 6.171 2.143 3.177) 7.264 4.736 ( -31.215 -12.586 0.303) 33.659 6.560 ( -10.828 -0.591 1.602) 10.962 7.168 ( 3.004 -2.185 4.474) 5.815 8.008 ( 0.698 1.954 -1.536) 2.582 8.973 ( 8.714 3.088 4.465) 10.267 10.134 ( 31.843 10.767 -13.063) 36.064 13.689 ( 6.888 2.470 10.630) 12.905 ======================= Grid point 30 (22/417) ======================= q-point: (-0.19 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -16.787 -5.704 -2.344) 17.883 1.596 ( -13.664 -2.100 -0.919) 13.855 2.412 ( -15.540 -5.388 -0.575) 16.458 2.493 ( -19.801 -0.989 0.744) 19.840 3.816 ( 3.638 1.279 1.750) 4.234 4.000 ( -40.242 -13.593 0.260) 42.476 6.368 ( -10.262 -2.129 0.849) 10.515 7.280 ( 8.614 1.760 3.058) 9.308 8.070 ( 4.328 2.193 -1.008) 4.955 9.095 ( 2.534 -0.039 2.310) 3.429 10.740 ( 32.896 8.743 -8.581) 35.103 13.862 ( 6.130 2.750 9.408) 11.561 ======================= Grid point 31 (23/417) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -19.542 -3.789 -1.620) 19.971 1.288 ( -19.865 -2.782 -0.645) 20.069 2.059 ( -20.857 -4.414 -1.152) 21.350 2.201 ( -13.622 -0.724 1.048) 13.681 3.163 ( -43.720 -9.574 -0.570) 44.760 3.873 ( 1.655 0.311 0.970) 1.943 6.196 ( -7.998 -1.525 0.241) 8.145 7.496 ( 13.341 2.700 0.990) 13.648 8.174 ( 5.939 1.239 -0.426) 6.082 9.075 ( -4.635 -1.435 1.866) 5.198 11.338 ( 31.502 5.601 -3.597) 32.198 13.987 ( 3.005 1.322 6.069) 6.901 ======================= Grid point 32 (24/417) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -21.246 -0.000 0.000) 21.246 0.889 ( -24.816 -0.000 0.000) 24.816 1.582 ( -34.218 -0.000 0.000) 34.218 2.025 ( -7.407 -0.000 0.000) 7.407 2.440 ( -33.161 -0.000 0.000) 33.161 3.892 ( 0.463 0.000 -0.000) 0.463 6.077 ( -5.230 -0.000 0.000) 5.230 7.772 ( 17.036 0.000 -0.000) 17.036 8.278 ( 5.387 0.000 -0.000) 5.387 8.934 ( -11.219 -0.000 0.000) 11.219 11.854 ( 26.113 0.000 -0.000) 26.113 14.023 ( -0.529 -0.000 0.000) 0.529 ======================= Grid point 35 (25/417) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 17.916 13.736) 22.576 1.049 ( -0.000 21.850 5.597) 22.555 1.781 ( -0.000 27.959 5.531) 28.500 2.060 ( -0.000 8.443 -0.833) 8.484 2.615 ( -0.000 39.301 -1.813) 39.343 3.884 ( -0.000 -1.297 -1.038) 1.662 6.125 ( 0.000 6.476 1.874) 6.742 7.672 ( 0.000 -13.824 -1.630) 13.920 8.233 ( -0.000 -6.259 -1.698) 6.485 8.899 ( -0.000 12.692 -13.592) 18.597 11.721 ( 0.000 -29.652 3.426) 29.849 13.899 ( -0.000 6.345 -19.390) 20.402 ======================= Grid point 36 (26/417) ======================= q-point: ( 0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 4.537 16.170 10.734) 19.931 1.327 ( 6.836 17.386 4.474) 19.210 2.093 ( 6.506 19.296 4.357) 20.824 2.201 ( 5.346 12.959 -1.136) 14.065 3.141 ( 14.276 41.087 -1.732) 43.531 3.862 ( -0.880 -0.208 -2.083) 2.271 6.218 ( 2.011 8.233 2.010) 8.710 7.501 ( -5.182 -11.415 -0.443) 12.544 8.153 ( -1.012 -6.260 -1.663) 6.556 8.979 ( 2.485 5.889 -11.032) 12.749 11.358 ( -8.037 -32.184 5.391) 33.608 13.879 ( -1.867 2.828 -15.925) 16.281 ======================= Grid point 37 (27/417) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 7.334 13.248 7.295) 16.808 1.604 ( 7.068 12.192 3.009) 14.410 2.383 ( 7.503 13.825 2.546) 15.935 2.492 ( 10.414 19.200 0.022) 21.843 3.688 ( 7.782 8.850 -9.722) 15.277 3.955 ( 11.632 25.177 4.629) 28.118 6.369 ( 4.361 10.349 1.899) 11.390 7.290 ( -7.503 -8.010 -1.811) 11.124 8.081 ( -0.810 -4.245 -0.997) 4.435 8.999 ( 0.735 -1.652 -9.484) 9.654 10.892 ( -12.458 -31.765 9.208) 35.341 13.778 ( -5.656 -0.430 -14.201) 15.292 ======================= Grid point 38 (28/417) ======================= q-point: ( 0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 8.180 8.995 5.254) 13.245 1.831 ( 6.666 11.026 1.259) 12.945 2.629 ( 7.413 9.330 1.402) 11.999 2.888 ( 10.996 23.069 0.751) 25.567 3.661 ( -2.402 -3.589 -7.871) 8.978 4.574 ( 20.861 27.339 2.189) 34.459 6.570 ( 5.121 12.688 1.367) 13.750 7.108 ( -4.711 -5.260 -3.162) 7.737 8.045 ( -0.268 -0.444 -0.177) 0.548 8.901 ( -3.546 -7.041 -10.029) 12.756 10.396 ( -15.235 -29.340 12.596) 35.378 13.606 ( -7.227 -2.572 -12.757) 14.885 ======================= Grid point 39 (29/417) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 4.480 6.273 2.981) 8.265 2.084 ( 10.116 11.019 1.245) 15.010 2.817 ( 6.638 4.479 -0.562) 8.027 3.282 ( 7.332 24.416 1.144) 25.519 3.541 ( -4.384 -4.237 -5.551) 8.245 5.121 ( 16.816 17.706 0.842) 24.433 6.776 ( 3.097 14.113 0.095) 14.449 7.033 ( 2.269 -3.221 -2.627) 4.735 8.066 ( 0.835 3.572 0.673) 3.730 8.696 ( -6.930 -8.828 -10.511) 15.377 9.889 ( -18.628 -25.029 12.458) 33.595 13.429 ( -4.866 -4.044 -9.997) 11.831 ======================= Grid point 40 (30/417) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 1.511 6.418 1.384) 6.737 2.374 ( 11.831 9.062 1.550) 14.983 2.928 ( 4.814 -0.106 -4.877) 6.854 3.397 ( -5.302 -4.792 0.270) 7.152 3.605 ( 1.077 24.948 -0.026) 24.971 5.480 ( 10.477 9.183 -0.152) 13.933 6.941 ( 0.319 14.386 -1.357) 14.453 7.102 ( 9.295 -2.662 -0.457) 9.680 8.133 ( 0.848 5.249 0.966) 5.404 8.467 ( -6.226 -7.072 -8.632) 12.779 9.369 ( -21.866 -17.755 8.435) 29.402 13.314 ( -0.323 -5.312 -5.933) 7.970 ======================= Grid point 41 (31/417) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -1.067 6.287 0.359) 6.387 2.659 ( 11.896 6.737 2.201) 13.847 2.930 ( 0.216 -3.218 -11.821) 12.253 3.279 ( -4.020 -4.655 6.649) 9.058 3.804 ( -5.724 23.703 0.034) 24.384 5.669 ( 5.623 3.031 -0.606) 6.417 7.052 ( -4.304 16.023 -1.605) 16.669 7.259 ( 13.796 -7.833 1.059) 15.900 8.169 ( -1.270 2.631 -1.164) 3.145 8.331 ( -1.696 -2.972 -3.052) 4.586 8.907 ( -19.938 -5.333 3.178) 20.882 13.273 ( 3.383 -6.237 -1.716) 7.300 ======================= Grid point 42 (32/417) ======================= q-point: (-0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -3.345 5.195 -0.419) 6.193 2.770 ( -5.769 -4.458 -6.979) 10.093 2.950 ( 11.409 5.413 -4.576) 13.431 3.208 ( -2.202 -5.637 8.846) 10.718 3.871 ( -12.147 20.969 -0.151) 24.234 5.733 ( 1.081 -1.176 -0.318) 1.629 7.095 ( -8.261 15.588 -1.089) 17.675 7.351 ( 8.752 -16.232 1.071) 18.473 8.181 ( 0.131 3.150 -1.046) 3.322 8.303 ( 2.189 -1.445 1.769) 3.164 8.680 ( -8.340 8.840 -2.442) 12.396 13.287 ( 5.237 -6.224 1.927) 8.359 ======================= Grid point 43 (33/417) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -5.099 3.028 -1.098) 6.031 2.559 ( -10.584 -3.738 -7.400) 13.444 3.118 ( -1.022 -4.755 -0.869) 4.941 3.201 ( 9.345 2.291 6.192) 11.442 3.802 ( -17.608 16.739 -0.200) 24.295 5.678 ( -4.924 -3.656 0.332) 6.142 7.070 ( -10.961 12.810 0.075) 16.859 7.254 ( 1.361 -18.056 0.838) 18.126 8.182 ( -3.788 2.758 0.459) 4.708 8.419 ( 7.795 2.716 5.591) 9.969 8.786 ( 10.455 12.415 -9.100) 18.607 13.341 ( 6.286 -4.728 4.849) 9.240 ======================= Grid point 44 (34/417) ======================= q-point: (-0.31 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -6.406 0.188 -1.741) 6.641 2.309 ( -13.056 -2.180 -4.667) 14.035 3.003 ( -5.678 -5.613 2.069) 8.248 3.403 ( 8.186 2.425 1.462) 8.662 3.611 ( -20.003 11.193 0.253) 22.923 5.487 ( -13.264 -5.369 0.623) 14.323 6.969 ( -13.274 7.522 1.451) 15.326 7.121 ( 1.280 -12.266 1.494) 12.423 8.117 ( -6.157 2.459 -0.602) 6.657 8.629 ( 9.980 4.475 7.252) 13.123 9.158 ( 23.664 9.174 -12.321) 28.213 13.443 ( 7.624 -1.976 6.700) 10.341 ======================= Grid point 45 (35/417) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -8.284 -2.360 -2.153) 8.878 2.055 ( -14.255 -0.438 -1.848) 14.381 2.835 ( -9.234 -4.240 1.070) 10.217 3.266 ( -23.843 5.343 -0.281) 24.436 3.616 ( 7.520 1.931 1.802) 7.970 5.116 ( -24.287 -6.721 0.398) 25.203 6.787 ( -14.232 2.390 1.258) 14.486 7.085 ( 3.855 -5.281 2.529) 7.010 8.049 ( -3.696 2.336 -1.005) 4.486 8.858 ( 9.819 2.912 4.781) 11.303 9.650 ( 30.091 6.002 -10.430) 32.408 13.599 ( 8.889 0.566 6.703) 11.147 ======================= Grid point 46 (36/417) ======================= q-point: (-0.19 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -12.709 -2.496 -1.437) 13.031 1.815 ( -13.782 0.083 -0.393) 13.788 2.617 ( -13.024 -2.394 0.219) 13.244 2.881 ( -24.896 1.691 0.065) 24.953 3.750 ( 5.979 0.771 1.027) 6.115 4.552 ( -35.215 -5.516 0.117) 35.645 6.561 ( -13.634 -0.140 0.553) 13.646 7.159 ( 7.212 -0.852 1.817) 7.486 8.040 ( 0.702 1.460 -0.643) 1.743 9.025 ( 6.555 0.595 1.586) 6.770 10.210 ( 33.657 3.482 -5.244) 34.241 13.779 ( 8.709 1.245 4.375) 9.826 ======================= Grid point 47 (37/417) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -17.295 -0.000 0.000) 17.295 1.574 ( -15.434 -0.000 0.000) 15.434 2.354 ( -16.778 -0.000 0.000) 16.778 2.495 ( -21.019 -0.000 0.000) 21.019 3.835 ( 3.470 0.000 -0.000) 3.470 3.858 ( -42.791 -0.000 0.000) 42.791 6.349 ( -11.099 -0.000 0.000) 11.099 7.309 ( 10.380 0.000 -0.000) 10.380 8.090 ( 4.308 0.000 -0.000) 4.308 9.098 ( 1.442 0.000 -0.000) 1.442 10.797 ( 34.391 0.000 -0.000) 34.391 13.923 ( 6.459 0.000 -0.000) 6.459 ======================= Grid point 52 (38/417) ======================= q-point: ( 0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.000 15.304 10.284) 18.438 1.442 ( -0.000 15.038 3.791) 15.509 2.246 ( -0.000 18.920 4.120) 19.364 2.275 ( -0.000 14.318 -0.933) 14.349 3.421 ( -0.000 37.777 -4.211) 38.011 3.883 ( -0.000 6.141 -0.392) 6.153 6.294 ( -0.000 9.276 2.234) 9.541 7.443 ( 0.000 -9.112 0.689) 9.138 8.090 ( -0.000 -6.764 -2.010) 7.057 8.968 ( -0.000 2.530 -12.021) 12.284 11.102 ( 0.000 -36.049 5.019) 36.396 13.877 ( -0.000 2.337 -13.369) 13.572 ======================= Grid point 53 (39/417) ======================= q-point: ( 0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 2.661 13.021 7.968) 15.496 1.624 ( 4.776 10.984 2.633) 12.264 2.453 ( 2.759 15.908 2.556) 16.346 2.503 ( 8.756 17.785 0.148) 19.824 3.656 ( 1.865 5.862 -9.401) 11.235 4.109 ( 5.468 33.188 4.047) 33.878 6.419 ( 2.866 10.481 2.268) 11.100 7.327 ( -5.175 -6.151 0.083) 8.038 8.026 ( 0.615 -5.105 -1.663) 5.404 8.934 ( 0.452 -3.025 -11.926) 12.312 10.723 ( -4.636 -36.536 7.003) 37.489 13.821 ( -3.919 0.390 -11.422) 12.082 ======================= Grid point 54 (40/417) ======================= q-point: ( 0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 4.580 9.536 6.076) 12.199 1.824 ( 6.578 9.427 1.062) 11.544 2.646 ( 3.232 11.475 1.449) 12.009 2.895 ( 14.156 21.095 0.661) 25.413 3.632 ( -1.156 -2.596 -8.218) 8.695 4.603 ( 11.170 32.183 2.752) 34.178 6.614 ( 5.787 12.751 2.663) 14.253 7.162 ( -7.670 -3.941 -1.483) 8.749 8.012 ( 2.239 -1.592 -1.103) 2.960 8.837 ( -1.464 -7.545 -12.089) 14.325 10.303 ( -7.033 -34.608 9.832) 36.659 13.679 ( -7.860 -1.491 -10.384) 13.109 ======================= Grid point 55 (41/417) ======================= q-point: ( 0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 5.160 6.431 4.805) 9.543 2.043 ( 8.178 10.054 -0.369) 12.965 2.785 ( 2.874 6.013 -0.439) 6.679 3.355 ( 13.343 23.409 1.307) 26.976 3.543 ( -2.725 -3.411 -5.714) 7.191 5.074 ( 11.672 22.188 1.610) 25.123 6.855 ( 4.538 14.000 2.302) 14.896 7.019 ( -3.615 -1.549 -1.130) 4.092 8.063 ( 3.353 2.754 -0.781) 4.409 8.664 ( -4.316 -9.339 -12.379) 16.096 9.885 ( -8.943 -30.610 11.061) 33.753 13.479 ( -8.818 -3.125 -9.225) 13.139 ======================= Grid point 56 (42/417) ======================= q-point: ( 0.44 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 4.021 5.693 3.367) 7.740 2.288 ( 9.724 9.681 -1.206) 13.774 2.854 ( 2.304 0.469 -3.198) 3.969 3.437 ( -4.303 -3.220 -0.467) 5.394 3.786 ( 8.281 25.432 0.334) 26.748 5.416 ( 8.711 11.689 0.792) 14.599 6.916 ( 1.430 -1.784 -0.944) 2.474 7.136 ( 2.866 15.622 2.997) 16.163 8.163 ( 3.029 6.141 -0.461) 6.863 8.452 ( -5.253 -8.623 -11.214) 15.090 9.480 ( -11.527 -23.614 9.068) 27.798 13.287 ( -5.602 -4.878 -7.000) 10.207 ======================= Grid point 57 (43/417) ======================= q-point: ( 0.50 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 1.419 5.926 1.710) 6.329 2.543 ( 10.575 8.093 -1.670) 13.420 2.854 ( 1.166 -3.114 -6.476) 7.280 3.332 ( -4.974 -3.475 4.318) 7.447 4.113 ( -0.035 26.556 0.115) 26.557 5.603 ( 5.293 3.044 0.240) 6.110 6.964 ( 7.817 -5.126 0.076) 9.349 7.318 ( -1.668 17.036 2.742) 17.335 8.227 ( -3.361 2.456 -4.835) 6.380 8.300 ( 0.497 -3.015 -3.316) 4.509 9.117 ( -12.616 -12.045 4.647) 18.052 13.165 ( -0.067 -6.557 -3.698) 7.528 ======================= Grid point 58 (44/417) ======================= q-point: ( 0.56 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -1.998 5.155 -0.022) 5.529 2.766 ( 4.239 0.504 0.990) 4.382 2.814 ( 4.704 2.630 -11.964) 13.122 3.232 ( -4.173 -5.286 8.299) 10.688 4.289 ( -9.373 25.504 -0.214) 27.172 5.675 ( 3.423 -2.595 0.054) 4.296 7.037 ( 8.258 -9.849 -0.321) 12.857 7.419 ( -6.526 15.565 2.622) 17.080 8.170 ( 1.451 -0.763 -4.972) 5.236 8.302 ( -1.438 1.421 2.262) 3.033 8.883 ( -9.361 0.788 -0.684) 9.419 13.133 ( 4.751 -7.164 -0.160) 8.598 ======================= Grid point 59 (45/417) ======================= q-point: (-0.38 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -4.861 2.553 -1.417) 5.670 2.674 ( -7.318 -0.032 -5.455) 9.127 3.000 ( 9.280 2.362 -7.139) 11.945 3.157 ( -0.677 -5.328 11.095) 12.327 4.287 ( -17.492 20.881 -0.347) 27.242 5.676 ( 0.763 -4.529 0.149) 4.596 7.026 ( 4.427 -13.217 -0.930) 13.970 7.407 ( -11.414 11.723 1.901) 16.471 8.238 ( 3.972 2.953 -2.234) 5.431 8.334 ( 3.332 3.276 5.910) 7.534 8.797 ( -2.934 5.032 -6.231) 8.530 13.179 ( 7.651 -5.902 2.612) 10.010 ======================= Grid point 60 (46/417) ======================= q-point: (-0.31 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -6.500 -0.105 -1.914) 6.777 2.505 ( -11.850 1.476 -3.438) 12.427 3.017 ( -1.365 -4.821 0.255) 5.017 3.263 ( 9.622 1.177 2.754) 10.077 4.109 ( -23.027 13.352 -0.266) 26.619 5.603 ( -5.265 -3.899 0.256) 6.557 6.962 ( 3.263 -10.922 0.044) 11.399 7.287 ( -14.180 7.516 0.984) 16.079 8.254 ( -5.292 3.872 -0.321) 6.565 8.526 ( 9.800 3.703 8.418) 13.439 8.877 ( 11.878 3.741 -10.914) 16.559 13.289 ( 9.328 -3.192 3.804) 10.567 ======================= Grid point 61 (47/417) ======================= q-point: (-0.25 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -7.611 -0.995 -1.326) 7.789 2.290 ( -13.904 0.840 -1.249) 13.985 2.927 ( -5.178 -2.605 0.741) 5.843 3.440 ( 8.569 0.702 0.655) 8.623 3.789 ( -24.693 5.551 -0.047) 25.310 5.405 ( -14.950 -2.690 0.181) 15.191 6.948 ( 3.653 -4.841 1.004) 6.147 7.090 ( -14.736 2.933 0.267) 15.028 8.165 ( -7.338 1.978 -0.284) 7.605 8.737 ( 9.154 2.055 4.450) 10.383 9.195 ( 24.764 2.081 -6.751) 25.752 13.449 ( 10.351 -0.682 2.917) 10.776 ======================= Grid point 62 (48/417) ======================= q-point: (-0.19 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -9.274 -0.000 0.000) 9.274 2.053 ( -14.325 -0.000 0.000) 14.325 2.795 ( -9.242 -0.000 0.000) 9.242 3.324 ( -24.936 -0.000 0.000) 24.936 3.642 ( 6.544 0.000 -0.000) 6.544 5.046 ( -25.959 -0.000 0.000) 25.959 6.813 ( -15.468 -0.000 0.000) 15.468 7.042 ( 5.824 0.000 -0.000) 5.824 8.074 ( -4.000 -0.000 0.000) 4.000 8.903 ( 8.599 0.000 -0.000) 8.599 9.670 ( 30.926 0.000 -0.000) 30.926 13.628 ( 10.295 0.000 -0.000) 10.295 ======================= Grid point 69 (49/417) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 11.577 6.712) 13.382 1.684 ( -0.000 8.563 1.816) 8.753 2.586 ( -0.000 17.422 -0.742) 17.437 2.597 ( -0.000 14.841 2.493) 15.049 3.645 ( -0.000 0.242 -8.707) 8.711 4.425 ( -0.000 36.926 3.372) 37.080 6.491 ( -0.000 8.918 1.261) 9.006 7.333 ( 0.000 -2.764 0.745) 2.862 7.971 ( -0.000 -3.536 -1.178) 3.727 8.843 ( -0.000 -6.605 -13.469) 15.001 10.416 ( 0.000 -37.876 7.010) 38.519 13.828 ( -0.000 0.157 -8.804) 8.805 ======================= Grid point 70 (50/417) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 1.937 7.551 4.674) 9.089 1.812 ( 4.290 8.380 1.263) 9.498 2.735 ( 0.466 11.441 0.425) 11.458 2.855 ( 11.406 17.645 -0.136) 21.011 3.604 ( -0.860 -1.719 -7.097) 7.352 4.810 ( 3.735 32.287 2.456) 32.595 6.623 ( 5.893 8.520 0.959) 10.403 7.264 ( -6.540 -0.384 -0.475) 6.569 7.963 ( 1.632 -0.060 -0.269) 1.655 8.723 ( 0.243 -9.485 -13.603) 16.585 10.056 ( -2.206 -36.595 8.279) 37.584 13.756 ( -5.323 -0.626 -7.329) 9.079 ======================= Grid point 71 (51/417) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 3.579 5.728 4.681) 8.218 1.990 ( 7.585 7.468 -0.899) 10.682 2.823 ( -0.104 6.198 -1.871) 6.475 3.285 ( 18.018 18.140 -0.157) 25.568 3.545 ( -2.065 -1.375 -3.571) 4.348 5.167 ( 5.139 23.560 1.518) 24.162 6.865 ( 10.708 10.701 1.959) 15.265 7.118 ( -9.421 0.232 -1.197) 9.500 8.024 ( 3.577 3.565 -0.013) 5.050 8.578 ( -1.250 -9.815 -13.205) 16.501 9.697 ( -3.032 -33.505 9.130) 34.859 13.593 ( -9.810 -1.597 -6.736) 12.007 ======================= Grid point 72 (52/417) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 4.590 4.690 4.215) 7.799 2.203 ( 9.786 7.246 -2.392) 12.409 2.840 ( -0.728 0.969 -3.756) 3.947 3.481 ( -3.269 -0.607 -0.474) 3.359 3.784 ( 18.071 19.402 0.793) 26.526 5.434 ( 4.278 13.747 0.895) 14.425 6.962 ( -7.491 0.775 -0.352) 7.539 7.185 ( 10.447 12.673 3.516) 16.796 8.144 ( 4.984 5.758 -0.608) 7.640 8.410 ( -3.432 -7.784 -12.308) 14.962 9.370 ( -3.205 -28.274 8.409) 29.672 13.370 ( -10.907 -2.861 -6.135) 12.837 ======================= Grid point 73 (53/417) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 4.269 4.246 3.148) 6.794 2.435 ( 10.496 6.943 -3.788) 13.143 2.805 ( -0.749 -2.452 -4.068) 4.808 3.408 ( -5.119 -0.832 2.973) 5.977 4.252 ( 12.943 21.607 0.288) 25.189 5.575 ( 1.716 4.164 0.608) 4.545 6.883 ( -1.732 -0.997 1.175) 2.319 7.462 ( 4.825 14.027 4.048) 15.376 8.225 ( -1.479 -6.765 -7.716) 10.368 8.298 ( 1.190 7.398 -3.467) 8.257 9.110 ( -2.614 -18.956 5.899) 20.024 13.157 ( -7.420 -4.480 -4.657) 9.839 ======================= Grid point 74 (54/417) ======================= q-point: ( 0.56 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 1.409 3.612 1.135) 4.040 2.658 ( 9.972 5.770 -4.806) 12.483 2.758 ( 0.238 -2.761 -3.212) 4.242 3.307 ( -6.544 -2.473 5.187) 8.709 4.613 ( 2.346 24.318 -0.160) 24.431 5.588 ( 1.046 -4.963 0.535) 5.100 6.878 ( 2.426 -3.833 1.435) 4.758 7.635 ( -1.178 12.423 3.546) 12.973 8.109 ( -0.235 -5.048 -6.547) 8.270 8.367 ( -1.219 5.329 -0.042) 5.467 8.965 ( -2.138 -5.861 1.662) 6.456 13.024 ( -0.793 -5.619 -2.161) 6.072 ======================= Grid point 75 (55/417) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -3.164 1.559 -0.960) 3.655 2.739 ( -0.558 0.448 -0.744) 1.032 2.850 ( 8.999 3.490 -7.119) 11.994 3.185 ( -5.459 -4.333 7.071) 9.928 4.760 ( -12.721 22.264 -0.409) 25.645 5.561 ( 4.908 -9.169 0.487) 10.411 6.869 ( 1.970 -6.569 0.240) 6.863 7.670 ( -7.468 7.769 1.881) 10.940 8.120 ( 7.106 -1.143 -2.379) 7.580 8.395 ( -0.810 5.349 2.440) 5.935 8.889 ( -4.928 0.469 -2.718) 5.648 13.012 ( 5.571 -4.910 0.301) 7.432 ======================= Grid point 76 (56/417) ======================= q-point: (-0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -5.935 -0.060 -1.134) 6.043 2.692 ( -7.762 2.584 -1.340) 8.290 2.957 ( 3.837 -1.792 -2.915) 5.141 3.151 ( 4.170 -1.100 4.176) 6.003 4.613 ( -22.513 10.559 -0.226) 24.867 5.580 ( 3.648 -4.151 0.203) 5.530 6.835 ( 1.752 -5.264 -0.211) 5.552 7.565 ( -11.528 3.605 0.665) 12.097 8.262 ( 7.874 0.772 -0.680) 7.941 8.481 ( 3.536 5.484 5.214) 8.352 8.791 ( -3.346 -0.697 -5.684) 6.633 13.108 ( 9.336 -2.425 1.225) 9.723 ======================= Grid point 77 (57/417) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -7.040 -0.000 0.000) 7.040 2.521 ( -12.811 -0.000 0.000) 12.811 2.964 ( -0.758 -0.000 0.000) 0.758 3.283 ( 9.546 0.000 -0.000) 9.546 4.251 ( -25.526 -0.000 0.000) 25.526 5.558 ( -4.768 -0.000 0.000) 4.768 6.852 ( 3.698 0.000 -0.000) 3.698 7.363 ( -14.558 -0.000 0.000) 14.558 8.295 ( -4.951 -0.000 0.000) 4.951 8.620 ( 7.115 0.000 -0.000) 7.115 8.848 ( 14.225 0.000 -0.000) 14.225 13.270 ( 10.647 0.000 -0.000) 10.647 ======================= Grid point 86 (58/417) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -0.000 4.953 0.473) 4.976 1.877 ( 0.000 7.590 3.342) 8.293 2.831 ( -0.000 8.204 -1.685) 8.375 2.909 ( -0.000 15.612 -0.613) 15.624 3.579 ( -0.000 -0.792 -4.979) 5.041 5.083 ( -0.000 27.466 1.622) 27.514 6.620 ( -0.000 3.819 -1.261) 4.022 7.338 ( -0.000 3.010 -1.020) 3.179 7.966 ( 0.000 3.408 1.006) 3.553 8.573 ( -0.000 -11.044 -13.021) 17.074 9.745 ( 0.000 -35.574 7.863) 36.433 13.781 ( -0.000 -0.255 -5.060) 5.066 ======================= Grid point 87 (59/417) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 4.171 3.886 1.110) 5.808 1.966 ( 2.355 5.802 0.884) 6.324 2.873 ( -0.741 3.651 -4.265) 5.663 3.163 ( 12.948 13.965 -0.583) 19.053 3.560 ( -0.980 0.795 -1.620) 2.054 5.332 ( 1.610 19.851 0.576) 19.925 6.734 ( 10.866 2.948 -1.340) 11.339 7.296 ( -8.338 4.162 -2.147) 9.563 8.034 ( 1.586 6.441 1.888) 6.896 8.439 ( 0.911 -10.029 -11.244) 15.094 9.429 ( -0.839 -32.718 7.456) 33.568 13.709 ( -6.479 -0.367 -4.057) 7.653 ======================= Grid point 88 (60/417) ======================= q-point: ( 0.44 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 4.524 3.369 3.511) 6.644 2.096 ( 7.909 4.575 -2.692) 9.525 2.854 ( -1.536 -0.066 -5.167) 5.391 3.522 ( 2.354 4.566 -1.573) 5.373 3.610 ( 16.356 10.089 2.412) 19.368 5.519 ( 1.825 12.166 0.028) 12.302 7.029 ( 18.422 5.297 0.658) 19.180 7.152 ( -11.522 3.989 -1.579) 12.295 8.142 ( 2.278 6.757 1.585) 7.305 8.332 ( -0.026 -6.335 -10.253) 12.053 9.140 ( -0.502 -28.484 6.623) 29.248 13.534 ( -11.700 -0.896 -3.866) 12.354 ======================= Grid point 89 (61/417) ======================= q-point: ( 0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 4.861 2.861 3.215) 6.492 2.292 ( 11.128 3.974 -3.570) 12.343 2.798 ( -1.975 -1.755 -4.028) 4.817 3.502 ( -4.360 1.496 2.090) 5.061 4.100 ( 23.301 12.439 0.331) 26.415 5.622 ( -0.305 5.729 0.187) 5.740 6.993 ( -9.506 2.112 0.564) 9.754 7.415 ( 16.143 8.817 2.385) 18.548 8.170 ( -1.545 -4.472 -5.121) 6.973 8.321 ( 2.860 7.080 -4.174) 8.703 8.918 ( 1.840 -22.235 5.558) 22.993 13.293 ( -13.209 -1.807 -3.578) 13.804 ======================= Grid point 90 (62/417) ======================= q-point: ( 0.56 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 4.350 2.118 1.869) 5.186 2.508 ( 11.435 3.327 -3.971) 12.554 2.739 ( -1.492 -1.866 -1.757) 2.965 3.424 ( -6.732 0.118 2.728) 7.265 4.600 ( 20.584 13.326 -0.013) 24.521 5.603 ( -5.445 -0.738 0.405) 5.510 6.888 ( -4.724 0.283 1.485) 4.960 7.708 ( 6.869 8.724 3.417) 11.618 8.058 ( -2.714 -5.380 -5.865) 8.409 8.427 ( 0.834 6.485 -2.180) 6.892 8.840 ( 7.140 -11.342 3.424) 13.833 13.063 ( -9.495 -2.661 -2.446) 10.160 ======================= Grid point 91 (63/417) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.581 0.882 0.100) 1.061 2.705 ( 9.967 2.120 -3.660) 10.827 2.718 ( 1.282 -0.738 0.555) 1.580 3.298 ( -8.392 -0.974 2.348) 8.768 5.027 ( 11.401 16.971 -0.376) 20.448 5.430 ( -7.849 -10.385 0.535) 13.029 6.836 ( -1.890 -1.261 0.774) 2.401 7.829 ( -3.312 5.517 2.558) 6.924 7.989 ( 4.347 -3.666 -3.433) 6.642 8.456 ( -1.133 2.897 0.170) 3.115 8.900 ( 3.676 -1.663 0.089) 4.036 12.935 ( -1.626 -2.244 -0.742) 2.869 ======================= Grid point 92 (64/417) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -3.929 -0.000 0.000) 3.929 2.755 ( 1.501 0.000 -0.000) 1.501 2.853 ( 7.031 0.000 -0.000) 7.031 3.165 ( -5.873 -0.000 0.000) 5.873 5.043 ( -20.952 -0.000 0.000) 20.952 5.408 ( 13.014 0.000 -0.000) 13.014 6.804 ( -0.741 -0.000 0.000) 0.741 7.747 ( -8.101 -0.000 0.000) 8.101 8.102 ( 9.539 0.000 -0.000) 9.539 8.472 ( 1.354 0.000 -0.000) 1.354 8.877 ( -5.204 -0.000 0.000) 5.204 12.963 ( 5.868 0.000 -0.000) 5.868 ======================= Grid point 103 (65/417) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -0.000 2.798 -0.179) 2.803 1.998 ( -0.000 3.839 0.218) 3.845 2.882 ( -0.000 0.339 -5.956) 5.965 3.167 ( -0.000 11.111 -0.449) 11.120 3.582 ( -0.000 2.428 0.215) 2.438 5.481 ( -0.000 13.257 -0.800) 13.281 6.628 ( -0.000 -0.911 -2.947) 3.084 7.416 ( -0.000 6.085 -3.891) 7.223 8.097 ( 0.000 7.807 2.414) 8.172 8.310 ( -0.000 -7.941 -6.613) 10.334 9.152 ( 0.000 -29.576 5.759) 30.132 13.756 ( -0.000 0.203 -2.388) 2.397 ======================= Grid point 104 (66/417) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 5.241 2.106 0.360) 5.660 2.044 ( 2.246 2.472 -1.202) 3.550 2.849 ( -0.810 -1.451 -5.542) 5.786 3.382 ( 13.658 8.791 -0.563) 16.253 3.603 ( -0.937 2.640 1.646) 3.249 5.586 ( 1.272 7.301 -1.437) 7.549 6.742 ( 15.534 -0.150 -2.005) 15.664 7.376 ( -9.313 5.358 -3.606) 11.333 8.193 ( 0.555 6.056 2.475) 6.566 8.245 ( 1.406 -2.685 -4.387) 5.332 8.900 ( -0.085 -25.065 4.160) 25.408 13.689 ( -7.404 0.175 -1.842) 7.632 ======================= Grid point 105 (67/417) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 5.469 1.517 3.024) 6.430 2.135 ( 8.394 1.869 -3.776) 9.392 2.799 ( -1.428 -1.575 -3.602) 4.183 3.588 ( -2.662 2.535 1.012) 3.813 3.784 ( 22.918 5.938 0.489) 23.680 5.660 ( 1.487 3.622 -0.835) 4.004 7.105 ( 23.510 2.519 1.096) 23.670 7.221 ( -11.112 3.587 -2.639) 11.971 8.162 ( -2.694 -2.155 -2.357) 4.178 8.330 ( 2.889 6.857 -0.791) 7.483 8.702 ( 1.121 -19.193 3.337) 19.514 13.506 ( -13.170 -0.228 -1.732) 13.285 ======================= Grid point 106 (68/417) ======================= q-point: ( 0.56 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 5.078 0.917 1.302) 5.322 2.322 ( 11.871 1.171 -1.911) 12.081 2.751 ( -1.876 -0.900 -1.420) 2.519 3.539 ( -5.296 0.824 1.080) 5.468 4.264 ( 26.906 4.229 0.047) 27.236 5.684 ( -2.104 1.235 -0.052) 2.441 7.033 ( -10.652 1.163 0.390) 10.722 7.552 ( 20.550 3.816 0.789) 20.916 8.071 ( -4.663 -2.084 -2.340) 5.618 8.447 ( 3.481 6.993 -2.693) 8.263 8.606 ( 5.585 -12.392 3.666) 14.078 13.255 ( -14.774 -0.581 -1.194) 14.833 ======================= Grid point 107 (69/417) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 4.199 0.000 -0.000) 4.199 2.526 ( 11.708 0.000 -0.000) 11.708 2.715 ( -1.243 -0.000 0.000) 1.243 3.436 ( -7.485 -0.000 0.000) 7.485 4.736 ( 25.615 0.000 -0.000) 25.615 5.589 ( -9.909 -0.000 0.000) 9.909 6.898 ( -5.897 -0.000 0.000) 5.897 7.826 ( 9.846 0.000 -0.000) 9.846 7.963 ( -5.726 -0.000 0.000) 5.726 8.490 ( -1.087 -0.000 0.000) 1.087 8.735 ( 12.992 0.000 -0.000) 12.992 13.028 ( -10.429 -0.000 0.000) 10.429 ======================= Grid point 121 (70/417) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -0.000 1.248 -0.267) 1.277 2.038 ( -0.000 1.003 -1.436) 1.751 2.823 ( -0.000 -1.756 -4.305) 4.650 3.328 ( -0.000 5.642 -0.231) 5.647 3.642 ( 0.000 2.390 1.260) 2.702 5.617 ( -0.000 3.077 -2.020) 3.680 6.580 ( -0.000 -1.564 -2.217) 2.713 7.499 ( -0.000 4.589 -4.232) 6.243 8.215 ( 0.000 0.152 0.606) 0.624 8.253 ( 0.000 5.780 1.775) 6.046 8.689 ( 0.000 -20.067 1.785) 20.146 13.754 ( -0.000 0.406 -0.834) 0.927 ======================= Grid point 122 (71/417) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 5.954 0.667 0.133) 5.993 2.060 ( 2.454 0.441 -1.111) 2.730 2.793 ( -0.557 -1.033 -2.130) 2.432 3.495 ( 14.389 3.043 -0.237) 14.709 3.652 ( -1.397 1.117 0.920) 2.011 5.646 ( 1.872 1.082 -1.108) 2.430 6.726 ( 18.551 -0.270 -0.872) 18.573 7.436 ( -9.510 2.302 -1.949) 9.977 8.203 ( -3.043 1.178 0.429) 3.291 8.343 ( 3.325 5.523 0.868) 6.505 8.531 ( 0.619 -13.686 0.615) 13.714 13.687 ( -7.933 0.181 -0.501) 7.951 ======================= Grid point 123 (72/417) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 4.299 0.000 -0.000) 4.299 2.134 ( 10.222 0.000 -0.000) 10.222 2.770 ( -1.220 -0.000 0.000) 1.220 3.618 ( -3.336 -0.000 0.000) 3.336 3.843 ( 24.099 0.000 -0.000) 24.099 5.687 ( 1.905 0.000 -0.000) 1.905 7.137 ( 27.913 0.000 -0.000) 27.913 7.246 ( -12.972 -0.000 0.000) 12.972 8.141 ( -4.592 -0.000 0.000) 4.592 8.450 ( 1.551 0.000 -0.000) 1.551 8.462 ( 3.385 0.000 -0.000) 3.385 13.499 ( -13.731 -0.000 0.000) 13.731 ======================= Grid point 140 (73/417) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 586 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 5.631 ( -0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 8.267 ( -0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 -0.000 -0.000) 0.000 13.756 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 280 (74/417) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( 0.000 -0.000 21.252) 21.252 0.206 ( 0.000 -0.000 21.252) 21.252 0.421 ( 0.000 -0.000 43.600) 43.600 1.906 ( -0.000 0.000 -1.415) 1.415 1.906 ( -0.000 0.000 -1.415) 1.415 4.657 ( -0.000 0.000 -4.757) 4.757 5.996 ( 0.000 -0.000 1.233) 1.233 5.996 ( 0.000 -0.000 1.233) 1.233 8.374 ( -0.000 0.000 -0.865) 0.865 8.374 ( -0.000 0.000 -0.865) 0.865 12.350 ( 0.000 -0.000 0.601) 0.601 12.850 ( -0.000 0.000 -0.287) 0.287 ======================= Grid point 281 (75/417) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 20.058 11.581 8.657) 24.726 0.593 ( 12.577 7.261 22.120) 26.461 1.096 ( 36.853 21.277 14.665) 45.011 1.929 ( 2.844 1.642 -2.348) 4.037 2.081 ( 15.323 8.847 -1.664) 17.771 3.951 ( -6.730 -3.886 6.677) 10.246 6.027 ( 2.406 1.389 1.360) 3.093 7.909 ( 5.073 2.929 -23.325) 24.049 8.341 ( -2.783 -1.607 -0.783) 3.308 8.462 ( 23.067 13.318 -27.682) 38.415 12.200 ( -14.250 -8.227 4.090) 16.956 13.615 ( 22.374 12.917 -42.797) 49.990 ======================= Grid point 282 (76/417) ======================= q-point: ( 0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 13.982 8.072 14.295) 21.564 1.041 ( 19.296 11.140 5.322) 22.908 1.818 ( 23.133 13.356 7.835) 27.837 2.025 ( 6.787 3.919 -3.089) 8.424 2.642 ( 34.580 19.965 -0.150) 39.930 3.875 ( -2.361 -1.363 -1.949) 3.351 6.112 ( 4.869 2.811 1.100) 5.729 7.667 ( -14.039 -8.105 -1.927) 16.324 8.252 ( -4.774 -2.756 -0.544) 5.539 8.846 ( 14.983 8.650 -16.562) 23.950 11.795 ( -22.534 -13.010 7.886) 27.189 13.768 ( 4.479 2.586 -25.905) 26.417 ======================= Grid point 283 (77/417) ======================= q-point: ( 0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 14.729 8.504 8.319) 18.933 1.435 ( 13.972 8.067 3.749) 16.564 2.227 ( 12.286 7.093 -3.070) 14.515 2.259 ( 15.921 9.192 5.386) 19.157 3.490 ( 37.340 21.558 -2.174) 43.171 3.818 ( -0.942 -0.544 -2.653) 2.867 6.248 ( 6.897 3.982 0.329) 7.971 7.366 ( -11.302 -6.525 -3.066) 13.406 8.137 ( -5.030 -2.904 -0.036) 5.808 9.021 ( 4.317 2.493 -9.408) 10.647 11.275 ( -26.249 -15.155 12.461) 32.771 13.710 ( -2.166 -1.251 -20.674) 20.825 ======================= Grid point 284 (78/417) ======================= q-point: ( 0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 15.065 8.698 4.804) 18.047 1.687 ( 8.169 4.716 2.020) 9.646 2.542 ( 15.728 9.081 -2.044) 18.276 2.594 ( 12.640 7.298 4.152) 15.175 3.694 ( -3.260 -1.882 -8.753) 9.528 4.349 ( 33.079 19.098 2.155) 38.257 6.412 ( 7.436 4.293 -0.885) 8.632 7.166 ( -4.950 -2.858 -4.615) 7.346 8.043 ( -3.072 -1.774 0.791) 3.635 8.981 ( -5.033 -2.906 -8.526) 10.318 10.707 ( -28.411 -16.403 15.300) 36.199 13.573 ( -3.939 -2.274 -16.779) 17.385 ======================= Grid point 285 (79/417) ======================= q-point: ( 0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 5.030 2.904 0.779) 5.860 2.014 ( 14.969 8.642 3.155) 17.570 2.849 ( 9.198 5.311 1.776) 10.768 2.881 ( 14.275 8.242 -1.109) 16.521 3.572 ( -5.207 -3.006 -6.640) 8.958 5.000 ( 24.023 13.870 0.276) 27.741 6.560 ( 5.858 3.382 -2.165) 7.102 7.134 ( 3.723 2.150 -4.613) 6.306 8.017 ( 0.445 0.257 1.736) 1.810 8.771 ( -10.319 -5.958 -8.661) 14.731 10.091 ( -30.774 -17.768 13.442) 37.993 13.454 ( -2.249 -1.298 -11.297) 11.591 ======================= Grid point 286 (80/417) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 3.156 1.822 0.109) 3.646 2.353 ( 14.401 8.314 2.527) 16.819 3.007 ( 4.681 2.702 -4.082) 6.773 3.155 ( 10.122 5.844 -0.557) 11.701 3.429 ( -5.965 -3.444 -1.202) 6.992 5.426 ( 14.449 8.342 -1.015) 16.715 6.655 ( 3.439 1.985 -2.821) 4.871 7.300 ( 11.742 6.779 -3.406) 13.980 8.066 ( 2.962 1.710 2.260) 4.100 8.508 ( -10.001 -5.774 -6.825) 13.415 9.421 ( -31.578 -18.232 8.108) 37.354 13.405 ( 0.030 0.017 -5.348) 5.348 ======================= Grid point 287 (81/417) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 1.569 0.906 -0.248) 1.829 2.672 ( 13.269 7.661 2.490) 15.522 3.000 ( -3.051 -1.762 -13.432) 13.887 3.325 ( 5.139 2.967 -0.235) 5.939 3.330 ( -3.355 -1.937 7.459) 8.405 5.663 ( 7.355 4.247 -1.381) 8.605 6.703 ( 1.786 1.031 -2.523) 3.259 7.612 ( 16.449 9.497 -2.800) 19.199 8.139 ( 2.348 1.356 2.084) 3.420 8.306 ( -6.505 -3.755 -3.176) 8.155 8.767 ( -26.901 -15.531 3.136) 31.221 13.410 ( 1.020 0.589 -0.581) 1.313 ======================= Grid point 288 (82/417) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 0.002 0.001 -0.440) 0.440 2.803 ( -8.389 -4.843 -9.827) 13.798 2.977 ( 12.040 6.951 -2.610) 14.145 3.292 ( -3.210 -1.853 8.464) 9.240 3.383 ( 0.096 0.055 -0.011) 0.111 5.750 ( 0.585 0.338 -0.679) 0.958 6.725 ( 0.792 0.457 -1.511) 1.766 7.946 ( 4.086 2.359 -3.075) 5.631 8.138 ( -2.438 -1.408 0.592) 2.877 8.166 ( -0.619 -0.357 1.371) 1.546 8.402 ( -1.244 -0.719 -0.203) 1.451 13.438 ( 1.025 0.592 2.948) 3.176 ======================= Grid point 289 (83/417) ======================= q-point: (-0.38 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -1.601 -0.925 -0.533) 1.924 2.545 ( -11.122 -6.421 -9.660) 16.070 3.185 ( 0.043 0.025 -5.298) 5.299 3.267 ( 5.157 2.978 11.000) 12.509 3.330 ( -4.910 -2.835 0.208) 5.674 5.682 ( -6.636 -3.831 0.553) 7.682 6.728 ( -0.415 -0.239 -0.130) 0.496 7.656 ( -15.436 -8.912 1.639) 17.900 8.120 ( -3.451 -1.992 0.312) 3.997 8.367 ( 10.376 5.991 2.200) 12.182 8.660 ( 22.389 12.926 -6.931) 26.765 13.477 ( 1.398 0.807 5.952) 6.167 ======================= Grid point 290 (84/417) ======================= q-point: (-0.31 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -3.320 -1.917 -0.574) 3.876 2.251 ( -12.603 -7.277 -7.295) 16.279 3.053 ( -8.258 -4.768 0.677) 9.560 3.165 ( -9.771 -5.641 0.497) 11.293 3.478 ( 8.690 5.017 3.373) 10.586 5.449 ( -14.777 -8.531 1.330) 17.114 6.697 ( -2.771 -1.600 1.230) 3.428 7.371 ( -10.365 -5.984 3.783) 12.552 8.034 ( -3.563 -2.057 -0.856) 4.202 8.625 ( 11.767 6.794 4.274) 14.244 9.208 ( 27.940 16.131 -12.496) 34.598 13.548 ( 3.048 1.760 8.628) 9.318 ======================= Grid point 291 (85/417) ======================= q-point: (-0.25 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -5.463 -3.154 -0.596) 6.336 1.935 ( -13.926 -8.040 -4.589) 16.723 2.836 ( -11.253 -6.497 0.244) 12.996 2.901 ( -13.714 -7.918 0.909) 15.862 3.660 ( 6.611 3.817 2.201) 7.945 5.009 ( -25.069 -14.474 1.233) 28.973 6.602 ( -6.212 -3.587 1.982) 7.442 7.230 ( -3.269 -1.887 4.999) 6.264 7.982 ( -0.250 -0.145 -1.629) 1.654 8.893 ( 10.302 5.948 2.731) 12.205 9.812 ( 29.599 17.089 -13.462) 36.734 13.672 ( 5.253 3.033 10.053) 11.741 ======================= Grid point 292 (86/417) ======================= q-point: (-0.19 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -15.391 -8.886 -1.895) 17.873 1.662 ( -8.939 -5.161 -0.485) 10.333 2.552 ( -14.011 -8.089 -0.212) 16.180 2.576 ( -15.000 -8.661 1.344) 17.373 3.785 ( 3.969 2.291 0.370) 4.598 4.340 ( -34.384 -19.852 1.376) 39.727 6.440 ( -8.389 -4.843 1.836) 9.859 7.254 ( 3.867 2.232 4.226) 6.147 8.018 ( 3.735 2.156 -1.674) 4.626 9.073 ( 4.907 2.833 -0.030) 5.666 10.448 ( 30.376 17.538 -9.941) 36.457 13.834 ( 5.946 3.433 8.922) 11.258 ======================= Grid point 293 (87/417) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -16.941 -9.781 0.799) 19.578 1.401 ( -14.670 -8.469 0.285) 16.941 2.204 ( -17.123 -9.886 -0.173) 19.773 2.270 ( -11.970 -6.911 1.322) 13.885 3.483 ( -38.488 -22.221 -2.155) 44.494 3.868 ( 0.880 0.508 1.954) 2.203 6.258 ( -7.814 -4.512 1.308) 9.118 7.417 ( 9.510 5.491 2.054) 11.172 8.124 ( 5.684 3.282 -1.353) 6.701 9.106 ( -1.778 -1.026 -1.431) 2.502 11.099 ( 29.354 16.948 -4.913) 34.250 13.972 ( 3.873 2.236 4.695) 6.484 ======================= Grid point 294 (88/417) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -17.985 -10.383 5.017) 21.364 1.011 ( -20.002 -11.548 2.280) 23.209 1.749 ( -25.312 -14.614 0.984) 29.244 2.061 ( -7.066 -4.079 0.571) 8.179 2.631 ( -33.831 -19.533 -1.315) 39.087 3.889 ( 0.524 0.302 -0.117) 0.616 6.111 ( -5.462 -3.154 0.970) 6.381 7.682 ( 13.586 7.844 -0.488) 15.696 8.246 ( 5.261 3.038 -1.064) 6.168 8.985 ( -8.347 -4.819 -3.732) 10.336 11.707 ( 24.973 14.418 -0.625) 28.843 14.018 ( -0.204 -0.118 -4.074) 4.081 ======================= Grid point 297 (89/417) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.000 21.804 11.861) 24.822 0.679 ( 0.000 15.618 21.820) 26.833 1.125 ( 0.000 39.290 18.063) 43.243 1.936 ( -0.000 4.030 -1.895) 4.454 2.057 ( -0.000 16.969 -3.164) 17.261 3.969 ( 0.000 -10.530 6.326) 12.284 6.038 ( 0.000 3.157 2.053) 3.766 7.773 ( -0.000 21.279 -32.042) 38.464 8.327 ( -0.000 -3.758 -1.639) 4.100 8.435 ( -0.000 21.769 -20.019) 29.574 12.205 ( 0.000 -17.382 4.115) 17.863 13.492 ( -0.000 30.198 -39.376) 49.622 ======================= Grid point 298 (90/417) ======================= q-point: ( 0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 6.002 13.470 18.610) 23.744 0.974 ( 9.614 20.061 8.439) 23.792 1.688 ( 15.700 25.239 10.763) 31.612 1.999 ( 2.505 7.287 -2.755) 8.183 2.422 ( 18.534 28.873 -1.700) 34.352 3.888 ( -1.997 -3.288 -1.155) 4.016 6.098 ( 1.897 4.818 2.056) 5.572 7.732 ( -5.324 -11.051 -3.858) 12.859 8.260 ( -1.649 -5.012 -1.796) 5.574 8.689 ( 10.064 19.811 -21.426) 30.868 11.924 ( -10.706 -22.981 6.601) 26.198 13.663 ( 4.549 12.537 -29.446) 32.326 ======================= Grid point 299 (91/417) ======================= q-point: ( 0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 8.898 11.938 12.553) 19.475 1.352 ( 10.813 15.016 5.665) 19.352 2.129 ( 11.615 12.762 3.970) 17.707 2.169 ( 8.537 13.664 -0.394) 16.117 3.158 ( 30.202 31.325 -1.379) 43.536 3.826 ( -1.720 -0.753 -3.771) 4.212 6.210 ( 4.139 6.502 1.652) 7.883 7.465 ( -10.552 -10.314 -2.010) 14.891 8.168 ( -2.860 -4.776 -1.045) 5.664 8.920 ( 7.391 6.719 -13.002) 16.396 11.482 ( -16.611 -24.740 10.582) 31.622 13.680 ( -1.442 4.110 -23.080) 23.487 ======================= Grid point 300 (92/417) ======================= q-point: ( 0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 11.120 10.506 7.388) 16.988 1.637 ( 7.302 9.706 3.229) 12.568 2.424 ( 10.928 13.075 -0.637) 17.052 2.508 ( 11.515 14.303 3.732) 18.738 3.670 ( 1.856 0.424 -11.439) 11.596 4.058 ( 26.450 24.870 4.348) 36.565 6.368 ( 5.295 8.265 0.796) 9.848 7.212 ( -7.679 -6.623 -3.620) 10.767 8.078 ( -2.890 -2.689 -0.238) 3.955 8.966 ( -0.088 -2.349 -10.101) 10.371 10.971 ( -20.262 -24.553 14.081) 34.809 13.575 ( -4.650 0.296 -18.855) 19.422 ======================= Grid point 301 (93/417) ======================= q-point: ( 0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 5.000 6.086 2.276) 8.199 1.882 ( 12.049 10.365 3.124) 16.198 2.711 ( 10.427 6.861 1.222) 12.542 2.853 ( 9.403 18.562 1.117) 20.838 3.589 ( -3.314 -2.843 -8.759) 9.787 4.750 ( 24.932 20.232 1.597) 32.148 6.538 ( 4.145 9.617 -0.520) 10.485 7.082 ( -0.271 -2.851 -4.146) 5.039 8.032 ( -0.983 0.358 0.810) 1.323 8.823 ( -6.683 -7.121 -9.968) 13.955 10.409 ( -24.474 -23.420 13.753) 36.560 13.443 ( -3.348 -1.350 -13.515) 13.989 ======================= Grid point 302 (94/417) ======================= q-point: ( 0.44 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 2.239 5.367 0.656) 5.853 2.204 ( 13.634 9.041 1.639) 16.441 2.902 ( 7.147 1.545 -1.422) 7.449 3.168 ( 5.304 19.346 -0.153) 20.061 3.472 ( -4.222 -3.361 -3.987) 6.709 5.262 ( 16.538 12.702 -0.009) 20.853 6.677 ( 1.037 10.499 -1.830) 10.708 7.133 ( 9.277 -0.074 -3.203) 9.814 8.059 ( 1.459 2.860 1.841) 3.701 8.581 ( -8.696 -7.422 -8.700) 14.366 9.779 ( -28.854 -20.880 9.107) 36.762 13.366 ( 0.278 -2.164 -7.135) 7.462 ======================= Grid point 303 (95/417) ======================= q-point: ( 0.50 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.391 4.812 -0.058) 4.828 2.520 ( 13.789 7.850 0.251) 15.869 2.954 ( 1.072 -2.540 -8.686) 9.113 3.357 ( -2.341 3.010 0.519) 3.848 3.412 ( -0.594 11.474 3.216) 11.931 5.568 ( 9.434 6.722 -1.118) 11.638 6.765 ( -2.214 11.285 -2.372) 11.743 7.349 ( 16.689 -0.472 -2.018) 16.817 8.125 ( 1.634 2.349 1.957) 3.466 8.373 ( -5.878 -3.596 -5.260) 8.669 9.122 ( -29.579 -15.113 3.678) 33.419 13.358 ( 3.017 -2.840 -1.624) 4.451 ======================= Grid point 304 (96/417) ======================= q-point: ( 0.56 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -1.315 4.022 -0.467) 4.257 2.817 ( 12.768 6.265 0.054) 14.222 2.840 ( -5.021 -4.516 -13.988) 15.533 3.323 ( -1.639 -3.231 8.178) 8.944 3.516 ( -5.210 14.596 0.450) 15.504 5.719 ( 3.949 2.218 -1.252) 4.699 6.812 ( -4.425 11.513 -2.015) 12.497 7.617 ( 17.961 -8.111 -1.762) 19.786 8.145 ( -0.221 -0.242 0.243) 0.408 8.305 ( -1.234 2.732 -0.230) 3.007 8.585 ( -21.536 -2.570 0.044) 21.689 13.390 ( 3.941 -3.318 2.309) 5.645 ======================= Grid point 305 (97/417) ======================= q-point: (-0.38 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( -2.893 2.847 -0.698) 4.119 2.623 ( -9.119 -5.538 -11.145) 15.428 3.074 ( 10.826 4.640 -5.343) 12.933 3.283 ( -1.861 -4.052 10.912) 11.788 3.515 ( -10.160 11.684 0.216) 15.485 5.733 ( -2.420 -1.726 -0.351) 2.994 6.829 ( -5.777 10.478 -1.054) 12.011 7.637 ( 0.958 -20.224 -0.340) 20.250 8.155 ( -1.042 0.680 0.934) 1.555 8.357 ( 1.739 7.066 2.463) 7.682 8.489 ( 7.236 12.241 -5.533) 15.258 13.438 ( 4.129 -3.122 5.154) 7.304 ======================= Grid point 306 (98/417) ======================= q-point: (-0.31 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -4.334 1.229 -0.827) 4.580 2.365 ( -11.334 -5.383 -8.612) 15.218 3.112 ( -4.092 -4.469 -1.345) 6.207 3.349 ( 0.268 3.755 2.858) 4.727 3.423 ( -6.298 7.012 2.640) 9.788 5.597 ( -10.033 -5.257 0.824) 11.357 6.810 ( -7.093 7.757 0.272) 10.514 7.410 ( -4.607 -15.388 1.979) 16.185 8.095 ( -5.170 -0.471 0.291) 5.199 8.531 ( 8.627 7.497 3.719) 12.019 8.880 ( 23.061 14.255 -10.557) 29.094 13.508 ( 4.939 -1.862 7.264) 8.979 ======================= Grid point 307 (99/417) ======================= q-point: (-0.25 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -5.857 -1.045 -0.963) 6.027 2.087 ( -13.159 -4.444 -5.344) 14.882 2.944 ( -8.923 -6.090 0.926) 10.843 3.163 ( -18.547 3.846 0.003) 18.942 3.573 ( 8.239 3.022 1.844) 8.967 5.282 ( -20.011 -9.285 1.313) 22.099 6.732 ( -9.172 3.299 1.473) 9.858 7.242 ( -1.822 -8.849 3.750) 9.782 8.011 ( -3.729 0.504 -0.983) 3.889 8.779 ( 10.642 6.274 2.101) 12.531 9.419 ( 28.901 13.281 -11.632) 33.867 13.620 ( 6.516 0.079 8.112) 10.405 ======================= Grid point 308 (100/417) ======================= q-point: (-0.19 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -10.204 -5.410 -1.467) 11.642 1.818 ( -13.044 -1.270 -1.265) 13.166 2.707 ( -12.503 -6.167 1.018) 13.978 2.848 ( -20.912 0.587 0.343) 20.923 3.723 ( 6.058 2.065 -0.131) 6.401 4.744 ( -31.284 -12.954 1.391) 33.889 6.577 ( -10.872 -0.953 1.857) 11.071 7.209 ( 3.142 -2.966 3.811) 5.761 7.993 ( 0.642 2.168 -1.562) 2.748 8.990 ( 7.954 3.338 -1.195) 8.709 10.029 ( 32.333 12.412 -8.326) 35.620 13.773 ( 7.428 1.389 6.616) 10.044 ======================= Grid point 309 (101/417) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -16.236 -5.523 0.975) 17.177 1.593 ( -13.603 -2.076 0.416) 13.766 2.413 ( -15.991 -5.595 0.945) 16.967 2.500 ( -19.420 -1.170 0.561) 19.464 3.799 ( -1.222 0.540 -4.648) 4.836 4.024 ( -35.717 -13.114 4.091) 38.268 6.380 ( -10.421 -2.671 1.570) 10.872 7.305 ( 8.190 0.728 2.160) 8.502 8.058 ( 4.416 2.641 -1.446) 5.345 9.091 ( 2.485 0.521 -3.255) 4.128 10.682 ( 33.625 10.880 -3.333) 35.498 13.918 ( 6.070 1.006 2.112) 6.505 ======================= Grid point 310 (102/417) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -18.850 -4.202 5.064) 19.966 1.295 ( -19.504 -2.940 2.096) 19.836 2.063 ( -20.878 -4.280 1.790) 21.387 2.206 ( -13.596 -1.311 -0.051) 13.659 3.155 ( -43.494 -8.864 -1.185) 44.404 3.875 ( 1.219 -0.180 -0.551) 1.350 6.203 ( -8.092 -2.029 1.208) 8.430 7.502 ( 12.883 1.980 0.179) 13.035 8.167 ( 5.987 1.803 -1.116) 6.351 9.059 ( -4.652 -0.973 -5.144) 7.004 11.326 ( 31.896 7.493 1.076) 32.782 13.987 ( 2.103 -0.658 -5.972) 6.366 ======================= Grid point 314 (103/417) ======================= q-point: ( 0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 0.000 14.222 18.280) 23.161 1.115 ( 0.000 19.883 8.007) 21.435 1.854 ( 0.000 24.704 9.437) 26.445 2.045 ( -0.000 8.796 -2.321) 9.097 2.597 ( -0.000 39.997 -1.923) 40.043 3.867 ( -0.000 -2.648 -2.689) 3.774 6.146 ( 0.000 6.491 2.519) 6.963 7.653 ( 0.000 -10.942 -2.107) 11.143 8.214 ( -0.000 -6.338 -2.101) 6.677 8.737 ( -0.000 17.740 -19.240) 26.171 11.770 ( 0.000 -29.802 6.571) 30.518 13.674 ( -0.000 13.231 -26.076) 29.241 ======================= Grid point 315 (104/417) ======================= q-point: ( 0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 3.106 13.172 14.381) 19.747 1.380 ( 6.453 15.808 6.310) 18.203 2.142 ( 5.604 17.128 5.229) 18.765 2.187 ( 5.743 14.148 -1.054) 15.306 3.121 ( 13.992 39.417 -2.349) 41.892 3.835 ( -0.751 1.020 -3.565) 3.784 6.240 ( 1.883 8.285 2.529) 8.864 7.495 ( -5.729 -10.869 -0.682) 12.306 8.136 ( -0.700 -6.246 -1.991) 6.593 8.853 ( 3.834 8.244 -14.743) 17.321 11.427 ( -6.775 -32.423 8.732) 34.255 13.694 ( -1.603 7.680 -21.731) 23.104 ======================= Grid point 316 (105/417) ======================= q-point: ( 0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 5.833 11.475 9.796) 16.176 1.638 ( 6.413 10.893 4.015) 13.263 2.406 ( 7.110 14.131 1.792) 15.920 2.499 ( 10.670 18.684 1.814) 21.592 3.587 ( 6.345 7.585 -11.367) 15.067 3.996 ( 12.849 26.489 3.892) 29.697 6.390 ( 3.977 10.615 2.490) 11.606 7.270 ( -8.505 -7.859 -2.164) 11.781 8.069 ( -0.302 -4.267 -1.364) 4.490 8.895 ( 1.592 -1.480 -11.867) 12.064 10.995 ( -10.717 -32.216 11.834) 35.955 13.620 ( -5.568 3.122 -18.272) 19.355 ======================= Grid point 317 (106/417) ======================= q-point: ( 0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 6.823 8.298 6.173) 12.390 1.845 ( 6.337 10.155 1.750) 12.097 2.646 ( 6.987 8.752 2.106) 11.395 2.897 ( 11.005 23.017 1.073) 25.535 3.574 ( -1.449 -2.088 -10.054) 10.370 4.597 ( 20.118 26.737 2.627) 33.564 6.586 ( 4.218 13.174 2.047) 13.984 7.078 ( -5.204 -4.722 -3.023) 7.650 8.041 ( 0.381 -0.578 -0.655) 0.953 8.797 ( -3.188 -7.637 -11.416) 14.100 10.521 ( -14.459 -30.170 13.050) 35.911 13.473 ( -6.551 0.018 -14.446) 15.862 ======================= Grid point 318 (107/417) ======================= q-point: ( 0.44 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 3.064 6.659 2.489) 7.742 2.096 ( 10.462 9.965 1.125) 14.492 2.814 ( 5.514 3.095 -0.036) 6.323 3.291 ( 7.156 24.899 0.444) 25.911 3.486 ( -2.871 -2.566 -5.646) 6.834 5.131 ( 16.169 17.502 1.201) 23.858 6.780 ( 1.885 14.265 0.665) 14.405 7.010 ( 2.300 -1.665 -1.985) 3.464 8.071 ( 1.610 3.247 0.293) 3.635 8.593 ( -6.058 -9.194 -10.702) 15.355 9.999 ( -19.679 -26.020 10.230) 34.190 13.335 ( -3.252 -2.500 -9.354) 10.214 ======================= Grid point 319 (108/417) ======================= q-point: ( 0.50 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.700 6.778 0.899) 6.873 2.378 ( 12.113 8.424 -0.794) 14.775 2.882 ( 2.324 -1.566 -4.689) 5.463 3.400 ( -2.975 -2.219 0.239) 3.720 3.608 ( 1.056 24.636 0.743) 24.670 5.480 ( 9.869 9.262 0.035) 13.534 6.930 ( 0.054 13.737 -0.882) 13.765 7.100 ( 8.713 0.077 -0.059) 8.714 8.142 ( 1.086 4.303 0.803) 4.510 8.387 ( -4.280 -6.652 -7.772) 11.089 9.433 ( -23.800 -18.540 4.933) 30.570 13.265 ( 1.663 -4.693 -3.952) 6.357 ======================= Grid point 320 (109/417) ======================= q-point: ( 0.56 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -1.529 6.394 -0.070) 6.575 2.653 ( 12.455 6.811 -4.123) 14.783 2.831 ( -2.415 -3.723 -7.725) 8.909 3.344 ( -1.950 -3.418 6.630) 7.710 3.805 ( -5.803 23.496 0.061) 24.202 5.663 ( 5.309 3.384 -0.697) 6.334 7.036 ( -3.891 15.220 -1.467) 15.778 7.269 ( 12.638 -5.088 0.998) 13.661 8.155 ( -1.181 0.337 -1.733) 2.125 8.311 ( 0.362 -0.821 -1.132) 1.444 8.923 ( -21.591 -6.193 0.116) 22.462 13.267 ( 5.129 -6.108 0.429) 7.988 ======================= Grid point 321 (110/417) ======================= q-point: (-0.38 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -3.548 5.018 -0.740) 6.190 2.678 ( -6.608 -2.860 -11.384) 13.470 2.911 ( 11.541 4.362 -3.597) 12.851 3.301 ( -1.499 -5.006 9.859) 11.159 3.868 ( -12.145 20.837 -0.296) 24.120 5.728 ( 1.203 -0.738 -0.618) 1.541 7.082 ( -7.269 14.593 -1.387) 16.362 7.362 ( 7.268 -13.959 1.197) 15.783 8.169 ( 1.836 2.699 -1.342) 3.529 8.326 ( 2.848 -0.090 2.673) 3.907 8.648 ( -10.404 7.291 -4.205) 13.382 13.313 ( 6.628 -6.275 3.467) 9.763 ======================= Grid point 322 (111/417) ======================= q-point: (-0.31 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -5.124 2.594 -1.194) 5.865 2.482 ( -10.063 -1.628 -8.470) 13.253 3.072 ( 4.543 -0.731 -6.156) 7.685 3.292 ( 3.409 -2.275 10.307) 11.092 3.800 ( -17.500 16.666 -0.384) 24.170 5.681 ( -4.581 -3.473 0.149) 5.751 7.068 ( -9.583 12.146 -0.402) 15.476 7.266 ( 0.630 -16.709 1.415) 16.780 8.187 ( -3.682 2.342 0.540) 4.398 8.474 ( 8.770 4.098 5.662) 11.215 8.689 ( 8.348 11.256 -10.671) 17.614 13.390 ( 7.425 -5.042 5.234) 10.389 ======================= Grid point 323 (112/417) ======================= q-point: (-0.25 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -6.377 -0.254 -1.341) 6.522 2.262 ( -12.345 -0.051 -5.141) 13.373 3.010 ( -4.832 -5.024 -0.680) 7.004 3.425 ( 6.392 1.537 3.105) 7.271 3.611 ( -19.234 10.962 -0.300) 22.141 5.494 ( -13.063 -5.587 0.815) 14.231 6.982 ( -12.941 8.028 1.374) 15.291 7.137 ( 2.062 -12.962 1.684) 13.232 8.113 ( -6.651 2.222 -0.190) 7.015 8.680 ( 8.752 5.170 2.550) 10.480 9.049 ( 23.813 9.749 -9.426) 27.404 13.502 ( 8.488 -2.932 5.427) 10.493 ======================= Grid point 324 (113/417) ======================= q-point: (-0.19 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -8.314 -2.194 -0.749) 8.631 2.036 ( -13.512 0.869 -1.985) 13.685 2.843 ( -9.182 -4.483 0.593) 10.235 3.267 ( -23.898 5.353 0.423) 24.494 3.622 ( 7.379 1.637 -0.464) 7.572 5.123 ( -24.221 -7.124 1.051) 25.269 6.802 ( -14.334 1.978 1.863) 14.589 7.107 ( 4.516 -6.261 1.864) 7.941 8.040 ( -3.951 2.606 -0.924) 4.822 8.872 ( 8.878 2.979 -2.190) 9.617 9.576 ( 30.386 8.522 -4.387) 31.862 13.648 ( 9.304 -1.278 3.438) 10.001 ======================= Grid point 325 (114/417) ======================= q-point: (-0.12 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -12.425 -1.879 1.143) 12.618 1.813 ( -13.429 0.364 0.048) 13.434 2.623 ( -13.006 -2.805 0.867) 13.333 2.884 ( -24.869 1.562 0.398) 24.921 3.742 ( 5.570 0.894 -2.705) 6.256 4.559 ( -34.959 -6.021 1.458) 35.504 6.571 ( -13.715 -0.890 1.512) 13.827 7.171 ( 7.268 -2.245 0.659) 7.635 8.032 ( 0.637 2.105 -0.903) 2.377 9.011 ( 6.380 1.051 -4.494) 7.874 10.189 ( 33.815 6.550 0.825) 34.453 13.795 ( 8.541 -1.244 -1.024) 8.692 ======================= Grid point 326 (115/417) ======================= q-point: (-0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -16.727 -0.050 3.884) 17.172 1.582 ( -15.080 -0.012 1.614) 15.166 2.362 ( -16.472 -0.206 1.594) 16.551 2.494 ( -21.261 -0.404 -0.238) 21.266 3.774 ( -12.472 2.682 -8.055) 15.087 3.907 ( -26.805 -2.756 5.479) 27.498 6.354 ( -11.112 -0.746 1.025) 11.184 7.304 ( 10.458 -1.304 -1.033) 10.590 8.088 ( 4.248 0.765 -0.522) 4.348 9.072 ( 1.360 0.731 -5.335) 5.554 10.822 ( 34.198 2.731 5.114) 34.686 13.885 ( 5.567 -2.476 -7.804) 9.900 ======================= Grid point 331 (116/417) ======================= q-point: ( 0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 0.000 12.181 13.375) 18.090 1.484 ( 0.000 13.378 4.919) 14.253 2.260 ( -0.000 14.892 -2.115) 15.041 2.292 ( 0.000 17.560 5.488) 18.398 3.375 ( -0.000 32.691 -5.525) 33.155 3.875 ( -0.000 11.092 -1.155) 11.153 6.316 ( -0.000 9.019 2.230) 9.291 7.447 ( 0.000 -8.714 0.194) 8.716 8.070 ( -0.000 -6.593 -1.913) 6.865 8.838 ( -0.000 3.751 -14.534) 15.011 11.169 ( 0.000 -36.289 8.793) 37.339 13.721 ( -0.000 6.995 -18.605) 19.876 ======================= Grid point 332 (117/417) ======================= q-point: ( 0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 1.990 10.681 10.208) 14.908 1.654 ( 4.608 9.442 3.527) 11.082 2.469 ( 4.510 16.566 0.182) 17.170 2.514 ( 7.169 16.410 2.618) 18.098 3.558 ( 1.483 6.023 -10.864) 12.511 4.145 ( 5.688 33.458 3.353) 34.104 6.440 ( 3.236 10.152 2.107) 10.862 7.323 ( -5.989 -6.044 -0.908) 8.557 8.011 ( 0.698 -4.747 -1.403) 4.999 8.811 ( 1.100 -3.045 -13.232) 13.623 10.808 ( -3.726 -36.936 10.409) 38.555 13.689 ( -4.197 4.330 -15.676) 16.796 ======================= Grid point 333 (118/417) ======================= q-point: ( 0.38 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 3.920 8.250 7.612) 11.890 1.836 ( 6.206 8.159 1.481) 10.357 2.661 ( 3.063 10.316 1.716) 10.897 2.900 ( 14.474 20.905 0.358) 25.429 3.545 ( -0.727 -0.460 -9.579) 9.618 4.630 ( 10.864 31.497 2.643) 33.423 6.639 ( 6.140 12.657 2.633) 14.312 7.144 ( -8.175 -3.607 -2.157) 9.192 8.002 ( 2.218 -1.300 -1.027) 2.768 8.717 ( -1.062 -8.099 -12.493) 14.926 10.408 ( -6.101 -35.439 11.696) 37.814 13.565 ( -8.113 1.621 -13.108) 15.501 ======================= Grid point 334 (119/417) ======================= q-point: ( 0.44 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 4.247 6.048 5.030) 8.939 2.041 ( 8.046 8.919 0.066) 12.012 2.782 ( 2.454 4.290 -0.243) 4.948 3.360 ( 13.496 22.681 -0.761) 26.403 3.492 ( -1.759 -0.075 -4.463) 4.798 5.090 ( 11.370 21.791 1.611) 24.632 6.876 ( 3.032 12.743 1.915) 13.238 7.010 ( -2.230 0.835 -0.510) 2.435 8.055 ( 3.527 2.719 -0.982) 4.560 8.546 ( -3.820 -9.693 -11.903) 15.818 9.990 ( -9.064 -31.738 10.631) 34.677 13.385 ( -8.427 -1.013 -10.134) 13.218 ======================= Grid point 335 (120/417) ======================= q-point: ( 0.50 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 2.933 5.963 2.893) 7.248 2.274 ( 9.760 8.418 -1.632) 12.991 2.825 ( 1.357 -0.763 -2.840) 3.239 3.430 ( -2.618 -0.692 -1.054) 2.906 3.792 ( 8.027 25.243 0.894) 26.504 5.424 ( 8.389 11.547 0.852) 14.298 6.909 ( 1.439 -0.853 -0.574) 1.768 7.167 ( 2.326 16.444 3.333) 16.939 8.157 ( 3.391 5.683 -0.792) 6.666 8.349 ( -3.908 -8.557 -9.971) 13.709 9.557 ( -12.970 -24.501 6.839) 28.553 13.222 ( -4.327 -3.834 -6.359) 8.594 ======================= Grid point 336 (121/417) ======================= q-point: ( 0.56 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 0.431 6.108 1.070) 6.216 2.514 ( 10.572 7.145 -4.254) 13.451 2.802 ( -0.367 -2.863 -4.311) 5.189 3.373 ( -3.044 -2.256 4.110) 5.590 4.114 ( -0.238 26.401 0.155) 26.403 5.606 ( 4.971 3.191 0.317) 5.916 6.965 ( 7.314 -4.030 0.201) 8.353 7.346 ( -2.117 17.575 3.167) 17.983 8.170 ( -2.859 -2.711 -6.344) 7.468 8.285 ( 2.469 1.968 -0.468) 3.192 9.149 ( -14.668 -12.604 1.881) 19.430 13.136 ( 1.664 -6.290 -2.353) 6.919 ======================= Grid point 337 (122/417) ======================= q-point: ( 0.62 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -2.618 4.891 -0.490) 5.569 2.700 ( 1.653 3.059 -11.488) 12.003 2.772 ( 5.618 0.957 0.020) 5.699 3.310 ( -2.468 -4.925 7.788) 9.539 4.286 ( -9.470 25.417 -0.346) 27.126 5.676 ( 3.202 -2.257 0.102) 3.919 7.033 ( 7.156 -8.914 -0.449) 11.440 7.448 ( -6.577 15.324 3.298) 16.999 8.127 ( 2.943 -0.747 -4.120) 5.118 8.324 ( -0.240 2.107 2.292) 3.122 8.865 ( -11.387 0.111 -2.847) 11.739 13.137 ( 6.347 -7.305 0.903) 9.719 ======================= Grid point 338 (123/417) ======================= q-point: (-0.31 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -5.068 2.213 -1.362) 5.696 2.615 ( -7.641 2.805 -6.757) 10.579 2.936 ( 8.709 1.474 -6.133) 10.753 3.259 ( 0.123 -5.682 9.984) 11.488 4.283 ( -17.477 20.910 -0.501) 27.256 5.678 ( 0.726 -4.305 0.194) 4.370 7.018 ( 4.160 -12.379 -0.702) 13.078 7.430 ( -11.604 10.830 2.877) 16.131 8.216 ( 5.091 2.991 -2.432) 6.386 8.390 ( 4.811 4.578 5.623) 8.702 8.731 ( -5.504 4.334 -7.426) 10.209 13.205 ( 8.817 -6.454 2.682) 11.251 ======================= Grid point 339 (124/417) ======================= q-point: (-0.25 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -6.507 0.111 -1.064) 6.594 2.467 ( -11.545 3.646 -4.271) 12.838 2.996 ( 1.042 -2.841 -4.040) 5.047 3.309 ( 6.975 -1.743 6.097) 9.427 4.106 ( -22.980 13.473 -0.368) 26.641 5.606 ( -5.178 -3.988 0.417) 6.549 6.964 ( 3.772 -10.707 0.341) 11.357 7.303 ( -14.388 6.802 2.173) 16.063 8.250 ( -4.709 3.629 -0.571) 5.973 8.593 ( 8.008 3.361 4.431) 9.750 8.777 ( 12.391 5.735 -8.525) 16.097 13.320 ( 9.998 -4.433 2.546) 11.229 ======================= Grid point 340 (125/417) ======================= q-point: (-0.19 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -7.554 -0.255 0.272) 7.563 2.274 ( -13.538 2.344 -1.996) 13.884 2.925 ( -4.628 -2.580 -1.103) 5.412 3.451 ( 7.966 -0.279 1.450) 8.102 3.787 ( -24.834 5.722 -0.399) 25.488 5.409 ( -14.859 -2.987 0.582) 15.167 6.956 ( 4.239 -5.703 0.731) 7.143 7.100 ( -15.137 2.404 1.625) 15.412 8.161 ( -7.450 2.200 -0.471) 7.782 8.735 ( 8.415 0.800 -5.009) 9.826 9.168 ( 25.171 5.942 1.426) 25.902 13.465 ( 10.504 -2.691 0.330) 10.848 ======================= Grid point 341 (126/417) ======================= q-point: (-0.12 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -9.146 0.755 2.027) 9.398 2.051 ( -14.144 0.821 -0.330) 14.171 2.793 ( -8.920 -0.456 -0.268) 8.936 3.328 ( -25.200 -0.188 0.913) 25.217 3.630 ( 6.291 -0.023 -2.557) 6.791 5.050 ( -25.838 -0.422 0.750) 25.852 6.819 ( -15.406 -1.116 1.103) 15.486 7.039 ( 5.556 -1.027 -0.680) 5.691 8.073 ( -4.005 0.608 -0.259) 4.059 8.868 ( 9.053 -0.144 -6.953) 11.416 9.702 ( 30.678 3.496 6.337) 31.521 13.610 ( 9.907 -2.414 -3.756) 10.866 ======================= Grid point 342 (127/417) ======================= q-point: (-0.06 0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -12.539 2.797 3.633) 13.351 1.821 ( -13.580 0.131 0.813) 13.605 2.619 ( -12.546 1.995 0.595) 12.718 2.883 ( -25.167 -1.873 0.332) 25.239 3.722 ( 5.518 -0.509 -4.743) 7.294 4.557 ( -34.875 4.921 1.231) 35.242 6.561 ( -13.581 -0.835 0.458) 13.615 7.137 ( 7.091 -0.421 -2.721) 7.607 8.045 ( 0.659 -0.731 0.275) 1.022 8.984 ( 7.217 -0.136 -6.778) 9.902 10.286 ( 33.229 -0.632 10.040) 34.718 13.713 ( 7.757 -3.409 -9.215) 12.518 ======================= Grid point 348 (128/417) ======================= q-point: ( 0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 0.000 7.465 2.217) 7.788 1.736 ( 0.000 8.956 9.062) 12.741 2.575 ( -0.000 17.836 -1.417) 17.892 2.622 ( -0.000 13.176 2.682) 13.446 3.553 ( -0.000 1.829 -10.198) 10.361 4.455 ( -0.000 36.325 2.897) 36.440 6.499 ( -0.000 8.067 0.572) 8.087 7.331 ( -0.000 -2.907 -1.053) 3.092 7.963 ( 0.000 -2.827 -0.546) 2.879 8.712 ( -0.000 -6.680 -13.302) 14.885 10.501 ( 0.000 -38.358 10.382) 39.738 13.723 ( -0.000 3.853 -12.746) 13.316 ======================= Grid point 349 (129/417) ======================= q-point: ( 0.38 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 4.421 5.753 1.427) 7.394 1.852 ( 1.541 7.193 6.742) 9.978 2.738 ( 0.406 9.648 0.129) 9.658 2.851 ( 11.648 17.416 -0.705) 20.964 3.531 ( -0.534 0.913 -7.870) 7.941 4.831 ( 3.665 31.579 1.984) 31.853 6.629 ( 6.836 7.606 0.219) 10.229 7.250 ( -6.827 -0.509 -2.367) 7.244 7.963 ( 1.411 0.807 0.356) 1.664 8.597 ( 0.339 -9.388 -12.257) 15.443 10.148 ( -1.787 -37.508 10.610) 39.021 13.669 ( -5.715 2.517 -10.467) 12.188 ======================= Grid point 350 (130/417) ======================= q-point: ( 0.44 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 4.428 4.773 4.699) 8.029 1.986 ( 6.323 6.293 0.665) 8.945 2.804 ( -0.083 4.074 -2.098) 4.583 3.277 ( 17.518 17.316 -1.580) 24.682 3.514 ( -0.656 2.401 -2.797) 3.744 5.180 ( 5.130 22.960 1.115) 23.552 6.881 ( 11.877 10.069 1.216) 15.618 7.102 ( -8.854 0.581 -2.124) 9.123 8.026 ( 2.830 4.300 0.352) 5.160 8.458 ( -1.351 -9.519 -11.372) 14.892 9.789 ( -2.783 -34.851 9.886) 36.333 13.517 ( -10.225 0.837 -8.721) 13.465 ======================= Grid point 351 (131/417) ======================= q-point: ( 0.50 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 4.156 4.252 4.508) 7.462 2.182 ( 9.403 6.252 -1.959) 11.460 2.806 ( -0.575 -0.168 -3.288) 3.342 3.470 ( -1.811 2.100 -1.611) 3.207 3.794 ( 17.536 18.820 1.299) 25.756 5.442 ( 4.326 13.399 0.674) 14.096 6.957 ( -6.773 1.471 -0.736) 6.970 7.217 ( 11.341 12.441 3.067) 17.112 8.139 ( 4.302 6.169 -0.429) 7.533 8.300 ( -3.217 -7.418 -10.352) 13.135 9.448 ( -3.651 -29.524 7.744) 30.740 13.307 ( -10.827 -1.219 -6.843) 12.866 ======================= Grid point 352 (132/417) ======================= q-point: ( 0.56 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 3.439 4.006 2.720) 5.939 2.399 ( 9.900 6.247 -3.713) 12.281 2.772 ( -0.614 -2.136 -2.729) 3.519 3.432 ( -3.952 0.144 1.951) 4.410 4.256 ( 12.739 21.379 0.409) 24.890 5.580 ( 1.718 4.068 0.527) 4.447 6.894 ( -1.399 -0.363 1.040) 1.780 7.500 ( 4.947 13.988 3.753) 15.304 8.146 ( -2.739 -6.195 -7.964) 10.455 8.279 ( 3.467 7.299 -1.275) 8.180 9.159 ( -4.047 -19.623 4.385) 20.510 13.113 ( -6.593 -3.576 -4.331) 8.661 ======================= Grid point 353 (133/417) ======================= q-point: ( 0.62 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 0.374 3.303 0.444) 3.353 2.604 ( 9.095 5.829 -5.910) 12.314 2.740 ( 0.101 -1.489 -0.937) 1.762 3.353 ( -4.979 -2.799 4.325) 7.164 4.611 ( 2.150 24.179 -0.181) 24.275 5.594 ( 1.041 -4.894 0.557) 5.034 6.891 ( 1.962 -3.676 1.251) 4.351 7.670 ( -1.545 12.220 3.608) 12.835 8.050 ( 0.929 -4.071 -5.563) 6.956 8.369 ( 0.125 5.184 0.402) 5.201 8.973 ( -4.273 -6.204 0.053) 7.533 13.007 ( 0.438 -5.283 -1.516) 5.514 ======================= Grid point 354 (134/417) ======================= q-point: (-0.31 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -3.629 1.621 -0.830) 4.061 2.722 ( -1.765 4.358 -3.246) 5.714 2.790 ( 8.182 2.027 -4.881) 9.741 3.252 ( -3.399 -5.775 6.691) 9.469 4.756 ( -12.712 22.257 -0.532) 25.637 5.566 ( 4.776 -9.124 0.633) 10.318 6.873 ( 1.454 -6.565 0.440) 6.738 7.692 ( -7.794 6.719 2.599) 10.613 8.094 ( 7.985 0.105 -2.855) 8.481 8.420 ( 0.716 4.925 2.666) 5.646 8.858 ( -6.936 1.120 -3.530) 7.863 13.015 ( 6.528 -5.134 0.382) 8.314 ======================= Grid point 355 (135/417) ======================= q-point: (-0.25 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -5.957 0.676 -0.137) 5.997 2.674 ( -8.471 4.583 -2.527) 9.957 2.908 ( 5.421 0.900 -6.168) 8.261 3.210 ( 3.160 -5.123 7.157) 9.351 4.610 ( -22.444 10.774 -0.330) 24.898 5.583 ( 3.565 -4.341 0.408) 5.632 6.836 ( 1.752 -5.209 0.496) 5.518 7.578 ( -11.533 2.562 1.972) 11.978 8.247 ( 7.877 1.823 -2.340) 8.418 8.519 ( 4.946 1.861 2.142) 5.702 8.747 ( -4.975 3.552 -2.860) 6.749 13.115 ( 9.676 -3.367 0.307) 10.249 ======================= Grid point 356 (136/417) ======================= q-point: (-0.19 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -6.957 0.861 1.365) 7.142 2.515 ( -12.754 1.939 -1.236) 12.960 2.945 ( 0.059 0.922 -3.687) 3.801 3.299 ( 8.594 -2.279 3.073) 9.407 4.250 ( -25.525 0.184 -0.044) 25.525 5.560 ( -4.740 -0.234 0.267) 4.753 6.855 ( 3.544 -0.279 0.516) 3.592 7.371 ( -14.554 -1.029 1.517) 14.669 8.293 ( -4.789 0.597 -0.433) 4.845 8.568 ( 6.923 -3.357 -9.075) 11.898 8.892 ( 14.320 5.095 7.462) 16.933 13.261 ( 10.417 -1.552 -1.756) 10.677 ======================= Grid point 357 (137/417) ======================= q-point: (-0.12 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -7.499 1.393 2.587) 8.054 2.298 ( -14.023 0.809 0.356) 14.051 2.912 ( -4.643 2.380 -2.283) 5.695 3.438 ( 8.331 -1.482 0.036) 8.462 3.788 ( -25.135 -5.452 -0.239) 25.721 5.406 ( -14.902 2.341 0.240) 15.087 6.937 ( 2.749 3.849 -1.157) 4.869 7.095 ( -14.524 -3.615 1.089) 15.007 8.167 ( -7.179 -1.575 0.066) 7.350 8.664 ( 10.185 -2.194 -9.695) 14.232 9.282 ( 24.361 0.522 10.460) 26.517 13.410 ( 9.649 -1.001 -5.103) 10.961 ======================= Grid point 358 (138/417) ======================= q-point: (-0.06 0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -8.041 1.858 2.911) 8.751 2.071 ( -14.670 1.913 1.541) 14.874 2.824 ( -8.526 3.860 -1.020) 9.414 3.272 ( -24.192 -5.525 0.909) 24.832 3.588 ( 7.018 -1.931 -3.992) 8.302 5.116 ( -24.115 6.225 0.283) 24.907 6.778 ( -14.066 -3.252 -0.565) 14.448 7.059 ( 2.878 4.378 -2.810) 5.945 8.058 ( -3.539 -1.794 0.921) 4.074 8.790 ( 10.733 -2.425 -8.831) 14.109 9.765 ( 30.159 -4.279 12.879) 33.072 13.522 ( 7.719 -1.805 -9.033) 12.018 ======================= Grid point 365 (139/417) ======================= q-point: ( 0.38 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -0.000 4.391 0.680) 4.443 1.920 ( 0.000 5.256 5.438) 7.563 2.811 ( -0.000 5.679 -2.394) 6.163 2.901 ( -0.000 15.850 -0.929) 15.877 3.529 ( -0.000 2.278 -5.260) 5.732 5.095 ( -0.000 26.586 0.887) 26.601 6.605 ( -0.000 2.864 -1.900) 3.437 7.315 ( -0.000 2.528 -3.702) 4.482 7.979 ( 0.000 4.220 1.531) 4.489 8.461 ( -0.000 -9.781 -9.863) 13.890 9.830 ( 0.000 -36.890 9.618) 38.123 13.717 ( -0.000 2.546 -8.059) 8.452 ======================= Grid point 366 (140/417) ======================= q-point: ( 0.44 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 5.026 3.651 0.391) 6.224 1.990 ( 1.587 3.636 3.867) 5.540 2.831 ( -0.561 1.883 -4.349) 4.772 3.156 ( 12.756 14.066 -0.933) 19.012 3.543 ( -0.360 3.501 -1.823) 3.963 5.335 ( 1.778 18.974 -0.149) 19.057 6.719 ( 11.915 2.366 -1.769) 12.276 7.266 ( -7.714 4.007 -3.999) 9.568 8.053 ( 1.391 7.024 2.020) 7.440 8.347 ( -0.002 -8.290 -7.759) 11.354 9.505 ( -0.630 -34.458 8.254) 35.438 13.658 ( -6.870 1.942 -6.515) 9.665 ======================= Grid point 367 (141/417) ======================= q-point: ( 0.50 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 6.937 3.236 2.944) 8.201 2.078 ( 5.393 2.997 -0.032) 6.170 2.808 ( -1.108 -0.449 -4.282) 4.446 3.502 ( 4.940 7.237 -2.342) 9.070 3.633 ( 14.299 8.927 2.118) 16.989 5.517 ( 2.231 11.633 -0.401) 11.851 7.031 ( 19.943 5.395 -0.402) 20.664 7.134 ( -10.446 3.867 -1.929) 11.305 8.158 ( 1.336 6.892 1.780) 7.242 8.246 ( -1.045 -4.598 -7.461) 8.826 9.204 ( -0.264 -30.208 6.658) 30.934 13.489 ( -12.132 0.933 -5.501) 13.353 ======================= Grid point 368 (142/417) ======================= q-point: ( 0.56 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 4.550 2.002 3.067) 5.841 2.266 ( 10.686 3.883 -1.750) 11.504 2.765 ( -1.417 -1.227 -2.729) 3.310 3.514 ( -3.686 2.124 0.462) 4.279 4.104 ( 23.146 12.145 0.511) 26.143 5.623 ( 0.037 5.559 -0.020) 5.559 6.996 ( -8.644 2.482 0.046) 8.993 7.433 ( 17.503 8.303 1.398) 19.423 8.119 ( -3.147 -4.207 -5.137) 7.348 8.295 ( 2.883 8.066 -1.489) 8.694 8.970 ( 1.755 -23.254 5.240) 23.902 13.255 ( -13.271 -0.371 -4.265) 13.945 ======================= Grid point 369 (143/417) ======================= q-point: ( 0.62 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 3.796 1.421 1.202) 4.228 2.479 ( 10.422 4.173 -2.118) 11.424 2.727 ( -0.785 -1.159 -0.685) 1.559 3.443 ( -6.013 -0.366 1.155) 6.134 4.601 ( 20.436 13.213 0.126) 24.336 5.606 ( -5.289 -0.837 0.212) 5.359 6.901 ( -4.434 0.005 1.072) 4.562 7.736 ( 7.728 8.284 2.305) 11.561 8.007 ( -3.227 -3.967 -4.541) 6.839 8.410 ( 1.770 6.439 -1.471) 6.838 8.871 ( 5.646 -12.042 3.122) 13.661 13.039 ( -9.073 -1.570 -2.387) 9.512 ======================= Grid point 370 (144/417) ======================= q-point: ( 0.69 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.198 0.831 -0.052) 0.856 2.672 ( 8.087 3.842 -3.066) 9.463 2.728 ( 2.202 0.052 1.095) 2.460 3.317 ( -7.323 -2.788 1.499) 7.978 5.023 ( 11.037 17.031 -0.265) 20.296 5.434 ( -7.508 -10.587 0.395) 12.985 6.842 ( -2.034 -1.871 0.565) 2.821 7.852 ( -4.870 4.130 2.245) 6.768 7.958 ( 6.235 -1.584 -2.879) 7.048 8.458 ( -0.331 2.679 0.281) 2.714 8.900 ( 2.497 -1.597 -0.098) 2.966 12.929 ( -1.201 -1.642 -0.568) 2.112 ======================= Grid point 371 (145/417) ======================= q-point: (-0.25 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -3.761 0.598 0.598) 3.855 2.749 ( 1.981 -0.608 -1.176) 2.382 2.844 ( 4.878 5.769 -1.897) 7.790 3.176 ( -4.443 -4.762 2.248) 6.890 5.042 ( -20.920 0.629 -0.208) 20.931 5.410 ( 13.003 -0.720 0.257) 13.025 6.806 ( -0.579 -0.297 0.392) 0.760 7.751 ( -7.846 -1.210 0.834) 7.983 8.097 ( 9.091 1.419 -1.145) 9.272 8.470 ( 1.007 -1.783 -0.491) 2.105 8.879 ( -4.782 2.105 0.491) 5.248 12.961 ( 5.697 -0.118 -0.306) 5.707 ======================= Grid point 372 (146/417) ======================= q-point: (-0.19 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -5.709 0.500 1.840) 6.019 2.700 ( -7.245 -0.731 0.385) 7.292 2.946 ( 1.314 6.654 -4.981) 8.415 3.147 ( 6.015 -4.880 3.304) 8.421 4.614 ( -22.539 -10.352 0.090) 24.803 5.579 ( 3.724 3.925 0.032) 5.410 6.840 ( 1.803 5.181 0.834) 5.549 7.565 ( -11.363 -4.734 0.722) 12.330 8.259 ( 8.368 0.728 -1.608) 8.552 8.429 ( 0.159 -6.942 -5.184) 8.666 8.848 ( -0.497 2.381 5.934) 6.413 13.092 ( 8.596 1.746 -1.962) 8.988 ======================= Grid point 373 (147/417) ======================= q-point: (-0.12 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -6.369 -0.149 2.298) 6.772 2.532 ( -12.076 0.927 2.273) 12.323 2.987 ( -1.484 5.688 -5.545) 8.081 3.261 ( 9.757 -3.216 1.985) 10.463 4.111 ( -23.078 -13.277 0.152) 26.625 5.601 ( -5.307 3.696 -0.065) 6.467 6.962 ( 2.453 10.811 0.071) 11.086 7.285 ( -13.996 -8.423 0.436) 16.341 8.256 ( -5.624 -4.061 0.010) 6.937 8.441 ( 9.528 -2.226 -9.024) 13.311 8.977 ( 13.282 -3.457 9.646) 16.775 13.249 ( 8.278 2.495 -4.483) 9.739 ======================= Grid point 374 (148/417) ======================= q-point: (-0.06 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -6.379 -0.976 1.716) 6.677 2.349 ( -13.565 4.212 3.473) 14.622 2.972 ( -4.665 5.309 -4.106) 8.174 3.396 ( 8.438 -2.625 -0.168) 8.838 3.608 ( -21.252 -11.424 -0.426) 24.131 5.483 ( -13.303 4.985 -0.379) 14.212 6.955 ( -13.164 -7.169 -1.505) 15.064 7.109 ( -0.263 11.043 -0.996) 11.091 8.124 ( -5.585 -2.332 0.881) 6.116 8.551 ( 9.994 -3.278 -8.637) 13.610 9.273 ( 24.714 -9.302 11.222) 28.692 13.376 ( 6.315 1.755 -6.900) 9.517 ======================= Grid point 382 (149/417) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -0.000 2.564 0.105) 2.566 2.013 ( 0.000 1.864 2.842) 3.399 2.828 ( -0.000 -0.133 -5.178) 5.180 3.162 ( -0.000 11.283 -0.557) 11.297 3.580 ( -0.000 4.087 -0.534) 4.122 5.470 ( -0.000 12.425 -1.442) 12.508 6.600 ( -0.000 -0.980 -2.651) 2.827 7.372 ( -0.000 6.000 -5.097) 7.873 8.119 ( 0.000 7.856 2.090) 8.129 8.264 ( -0.000 -5.288 -3.187) 6.174 9.209 ( 0.000 -31.681 6.063) 32.256 13.721 ( -0.000 2.152 -4.870) 5.324 ======================= Grid point 383 (150/417) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 5.651 2.079 -0.054) 6.022 2.051 ( 2.063 0.893 2.702) 3.515 2.802 ( -0.557 -0.787 -4.136) 4.246 3.376 ( 13.249 8.956 -0.661) 16.006 3.613 ( -0.348 3.248 0.506) 3.306 5.572 ( 1.641 7.000 -1.594) 7.364 6.724 ( 16.239 0.115 -1.716) 16.330 7.342 ( -8.355 5.826 -3.321) 10.713 8.208 ( -1.729 -1.879 -0.925) 2.716 8.220 ( 2.047 7.129 0.649) 7.445 8.939 ( 0.284 -27.137 4.069) 27.442 13.661 ( -7.678 1.787 -3.986) 8.834 ======================= Grid point 384 (151/417) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 7.354 1.201 -2.045) 7.727 2.127 ( 6.428 1.213 4.812) 8.121 2.771 ( -1.105 -0.462 -2.220) 2.523 3.589 ( -1.778 3.059 -0.790) 3.625 3.790 ( 22.248 5.442 0.755) 22.917 5.653 ( 1.942 3.755 -0.731) 4.290 7.104 ( 25.224 2.922 -1.500) 25.437 7.207 ( -11.292 3.795 0.140) 11.914 8.142 ( -3.728 -1.004 -1.875) 4.292 8.327 ( 1.899 6.760 -0.023) 7.022 8.733 ( 1.943 -20.608 3.320) 20.964 13.482 ( -13.384 1.218 -3.242) 13.825 ======================= Grid point 385 (152/417) ======================= q-point: ( 0.62 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 5.116 -0.056 0.359) 5.129 2.321 ( 11.301 1.827 1.940) 11.611 2.742 ( -1.633 0.101 -0.384) 1.681 3.540 ( -5.068 0.445 -0.829) 5.155 4.265 ( 26.855 4.103 0.259) 27.168 5.683 ( -1.951 1.301 -0.131) 2.349 7.035 ( -10.269 0.998 -0.010) 10.318 7.555 ( 20.977 3.380 -0.174) 21.248 8.054 ( -5.159 -0.232 -1.240) 5.311 8.424 ( 2.923 6.312 -2.079) 7.260 8.643 ( 5.939 -13.024 4.093) 14.887 13.240 ( -14.696 0.832 -1.932) 14.846 ======================= Grid point 386 (153/417) ======================= q-point: (-0.31 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 4.247 -0.715 -0.499) 4.336 2.537 ( 11.261 1.618 2.374) 11.621 2.719 ( -1.258 0.396 0.745) 1.514 3.427 ( -7.346 -1.002 -1.720) 7.611 4.737 ( 25.615 -0.001 0.220) 25.616 5.588 ( -9.927 -0.160 -0.261) 9.931 6.896 ( -5.901 -0.776 -0.384) 5.964 7.813 ( 9.094 -2.316 -2.438) 9.696 7.976 ( -4.868 3.588 2.345) 6.486 8.488 ( -0.745 1.776 -0.536) 1.999 8.741 ( 12.422 -2.565 1.268) 12.748 13.028 ( -10.286 1.263 -0.141) 10.364 ======================= Grid point 387 (154/417) ======================= q-point: (-0.25 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 1.300 -1.169 -0.460) 1.807 2.714 ( 1.106 2.114 0.153) 2.391 2.745 ( 9.642 -0.761 4.119) 10.512 3.272 ( -8.659 -0.957 -3.134) 9.258 5.031 ( 11.607 -17.027 0.445) 20.612 5.424 ( -7.998 10.306 -0.604) 13.059 6.828 ( -1.515 0.630 -0.888) 1.865 7.804 ( -1.659 -6.381 -2.537) 7.064 8.023 ( 2.336 5.418 3.512) 6.866 8.455 ( -1.934 -2.827 0.119) 3.427 8.898 ( 4.597 1.198 -0.389) 4.766 12.943 ( -2.078 2.980 0.802) 3.721 ======================= Grid point 388 (155/417) ======================= q-point: (-0.19 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -2.379 -1.852 0.643) 3.083 2.742 ( 0.524 1.027 0.095) 1.157 2.918 ( 8.924 -0.910 6.577) 11.123 3.119 ( -7.047 1.328 -6.362) 9.586 4.763 ( -12.763 -22.249 0.222) 25.651 5.557 ( 5.075 9.157 -0.265) 10.472 6.868 ( 2.692 6.393 -0.094) 6.937 7.656 ( -6.712 -8.826 -0.993) 11.133 8.139 ( 5.386 2.965 1.448) 6.317 8.375 ( -2.254 -5.637 -1.538) 6.262 8.909 ( -2.792 -0.562 1.473) 3.207 13.009 ( 4.404 5.056 -0.166) 6.707 ======================= Grid point 389 (156/417) ======================= q-point: (-0.12 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -4.502 -3.121 1.115) 5.591 2.719 ( -6.282 2.304 3.887) 7.739 3.047 ( -1.260 4.068 -11.795) 12.540 3.073 ( 8.561 -2.062 7.923) 11.846 4.289 ( -17.498 -20.861 0.152) 27.229 5.675 ( 0.745 4.598 -0.082) 4.658 7.034 ( 4.637 13.649 0.692) 14.432 7.395 ( -11.141 -12.757 -0.401) 16.942 8.259 ( 3.658 -1.923 2.020) 4.600 8.278 ( 0.888 -2.530 -5.751) 6.346 8.848 ( -0.368 -5.947 4.243) 7.314 13.156 ( 6.280 5.928 -2.099) 8.888 ======================= Grid point 390 (157/417) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -5.025 -3.550 0.785) 6.203 2.621 ( -11.035 5.518 5.434) 13.482 3.046 ( -0.244 4.409 -11.688) 12.494 3.218 ( 8.714 -2.695 5.813) 10.816 3.804 ( -17.693 -16.792 0.073) 24.393 5.674 ( -5.214 3.612 -0.480) 6.361 7.065 ( -11.808 -12.678 -1.014) 17.355 7.251 ( 1.210 17.749 0.301) 17.793 8.177 ( -3.161 -2.863 -0.614) 4.308 8.369 ( 6.000 -1.243 -4.718) 7.734 8.861 ( 12.641 -13.504 6.386) 19.569 13.299 ( 4.971 5.071 -3.603) 7.963 ======================= Grid point 399 (158/417) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -0.000 1.206 0.154) 1.216 2.045 ( 0.000 -0.023 2.997) 2.997 2.789 ( -0.000 -0.410 -2.690) 2.721 3.326 ( -0.000 5.774 -0.244) 5.779 3.648 ( -0.000 2.462 -0.011) 2.462 5.600 ( -0.000 3.473 -1.430) 3.756 6.564 ( -0.000 -0.935 -1.136) 1.471 7.467 ( -0.000 5.725 -2.303) 6.171 8.223 ( 0.000 1.385 0.888) 1.645 8.265 ( -0.000 5.296 0.799) 5.356 8.704 ( 0.000 -22.008 1.356) 22.049 13.734 ( -0.000 1.732 -3.123) 3.571 ======================= Grid point 400 (159/417) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 5.722 0.682 -0.188) 5.766 2.077 ( 2.658 -0.281 4.431) 5.175 2.780 ( -0.487 0.520 -0.691) 0.992 3.492 ( 14.043 3.279 -0.333) 14.424 3.654 ( -1.029 0.727 -0.391) 1.319 5.640 ( 1.977 1.863 -0.240) 2.727 6.721 ( 18.579 0.367 -0.199) 18.584 7.429 ( -9.173 3.519 0.444) 9.835 8.204 ( -3.696 1.268 -0.212) 3.913 8.349 ( 3.001 5.114 0.308) 5.937 8.535 ( 1.323 -14.843 0.209) 14.904 13.672 ( -7.968 1.396 -2.572) 8.488 ======================= Grid point 401 (160/417) ======================= q-point: (-0.38 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 6.296 -0.467 -1.467) 6.481 2.171 ( 7.871 -0.297 5.741) 9.746 2.776 ( -1.281 1.453 1.182) 2.269 3.609 ( -3.296 -0.095 -1.963) 3.837 3.845 ( 24.005 -0.263 0.337) 24.009 5.689 ( 1.743 0.484 0.410) 1.855 7.121 ( 23.097 0.275 -2.689) 23.254 7.267 ( -8.878 0.407 3.732) 9.639 8.141 ( -4.308 0.868 -0.063) 4.395 8.441 ( 1.159 6.279 -1.363) 6.529 8.472 ( 4.130 -7.634 1.526) 8.813 13.492 ( -13.536 1.317 -1.556) 13.688 ======================= Grid point 402 (161/417) ======================= q-point: (-0.31 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 5.190 -1.838 -1.307) 5.658 2.354 ( 11.610 -0.948 4.688) 12.556 2.770 ( -2.230 2.051 2.480) 3.915 3.519 ( -5.488 -1.143 -3.049) 6.381 4.264 ( 26.932 -4.375 0.194) 27.286 5.684 ( -2.419 -1.213 -0.042) 2.707 7.027 ( -10.900 -1.389 -0.697) 11.010 7.540 ( 19.124 -4.297 -1.739) 19.678 8.098 ( -3.734 4.011 3.147) 6.319 8.478 ( 3.724 -7.073 3.694) 8.806 8.572 ( 5.682 11.227 -3.476) 13.054 13.262 ( -14.402 2.017 0.279) 14.545 ======================= Grid point 403 (162/417) ======================= q-point: (-0.25 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 4.692 -2.840 -2.066) 5.861 2.552 ( 11.871 -3.150 4.975) 13.251 2.762 ( -2.194 2.869 3.057) 4.732 3.390 ( -7.189 -0.438 -4.344) 8.410 4.601 ( 20.682 -13.489 0.172) 24.693 5.598 ( -5.560 0.694 -0.542) 5.629 6.873 ( -4.963 -0.548 -1.667) 5.264 7.672 ( 6.546 -8.978 -3.873) 11.767 8.116 ( -2.406 6.794 6.140) 9.468 8.453 ( -0.481 -5.965 3.095) 6.738 8.805 ( 8.343 9.825 -3.743) 13.422 13.085 ( -9.556 3.895 2.139) 10.539 ======================= Grid point 404 (163/417) ======================= q-point: (-0.19 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 2.405 -3.949 -1.782) 4.955 2.690 ( 7.369 -5.627 1.902) 9.465 2.808 ( 3.153 3.506 6.812) 8.285 3.254 ( -7.763 2.305 -5.892) 10.015 4.614 ( 2.443 -24.460 0.117) 24.582 5.584 ( 1.142 5.042 -0.432) 5.188 6.864 ( 2.914 3.990 -1.454) 5.150 7.603 ( -0.460 -12.526 -2.992) 12.887 8.173 ( -1.503 6.601 6.520) 9.399 8.371 ( -2.754 -5.720 0.955) 6.420 8.941 ( -0.260 4.878 -3.378) 5.939 13.047 ( -1.836 6.319 2.472) 7.029 ======================= Grid point 405 (164/417) ======================= q-point: (-0.12 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -1.241 -5.357 -0.575) 5.529 2.749 ( 5.473 -2.375 -2.383) 6.425 2.931 ( 4.414 -0.523 12.166) 12.952 3.151 ( -5.671 5.792 -8.372) 11.653 4.290 ( -9.324 -25.560 0.044) 27.208 5.675 ( 3.565 2.832 0.009) 4.553 7.039 ( 9.166 10.629 -0.144) 14.036 7.400 ( -6.226 -15.947 -1.281) 17.167 8.221 ( -0.368 1.225 5.579) 5.724 8.281 ( -2.650 -0.834 -2.195) 3.541 8.877 ( -7.162 -1.839 -1.806) 7.612 13.140 ( 3.213 7.548 1.228) 8.295 ======================= Grid point 406 (165/417) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -3.097 -5.363 -0.000) 6.193 2.804 ( 0.974 1.687 -0.000) 1.948 2.981 ( -0.059 -0.102 -0.000) 0.118 3.156 ( 2.148 3.721 0.000) 4.297 3.871 ( -12.137 -21.023 -0.000) 24.275 5.734 ( 0.833 1.443 -0.000) 1.667 7.101 ( -9.187 -15.913 -0.000) 18.375 7.345 ( 9.813 16.996 -0.000) 19.626 8.187 ( -1.657 -2.870 -0.000) 3.314 8.294 ( 1.429 2.475 0.000) 2.858 8.693 ( -5.947 -10.301 -0.000) 11.894 13.278 ( 3.871 6.704 0.000) 7.742 ======================= Grid point 417 (166/417) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.000 0.007 0.465) 0.465 2.065 ( 0.000 -0.697 5.377) 5.422 2.796 ( 0.000 1.740 1.439) 2.258 3.382 ( -0.000 0.111 0.002) 0.111 3.665 ( -0.000 -0.331 -1.373) 1.412 5.637 ( 0.000 0.966 1.217) 1.554 6.562 ( 0.000 0.781 1.266) 1.488 7.545 ( 0.000 1.590 3.079) 3.466 8.260 ( -0.000 -2.177 -1.355) 2.564 8.312 ( -0.000 -0.580 -1.123) 1.264 8.451 ( -0.000 0.901 -0.522) 1.041 13.745 ( -0.000 1.091 -2.291) 2.538 ======================= Grid point 418 (167/417) ======================= q-point: (-0.38 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 5.167 -0.703 -0.066) 5.215 2.095 ( 2.797 -1.627 5.893) 6.723 2.820 ( -0.705 2.672 3.508) 4.465 3.496 ( 14.502 -2.780 0.098) 14.766 3.636 ( -1.617 -1.513 -2.285) 3.182 5.660 ( 1.534 -0.613 1.738) 2.398 6.737 ( 17.826 0.816 1.447) 17.904 7.465 ( -10.201 -1.718 4.054) 11.110 8.197 ( -2.080 -0.388 -0.767) 2.251 8.333 ( 4.128 -5.818 -1.098) 7.218 8.522 ( 0.112 12.674 -1.300) 12.741 13.681 ( -7.679 1.022 -1.664) 7.923 ======================= Grid point 419 (168/417) ======================= q-point: (-0.31 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 5.190 -2.182 -1.534) 5.835 2.180 ( 8.168 -2.802 5.561) 10.271 2.840 ( -1.820 2.719 4.820) 5.826 3.568 ( -3.336 -1.913 -3.157) 4.976 3.782 ( 23.298 -6.427 0.017) 24.168 5.668 ( 0.908 -3.748 0.771) 3.933 7.090 ( 18.906 -1.801 -1.734) 19.071 7.250 ( -9.048 -4.418 2.955) 10.493 8.184 ( -1.375 2.507 1.935) 3.453 8.347 ( 4.192 -5.301 3.138) 7.451 8.668 ( 0.428 17.837 -3.683) 18.219 13.515 ( -12.562 1.672 -0.046) 12.673 ======================= Grid point 420 (169/417) ======================= q-point: (-0.25 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 4.776 -3.684 -2.484) 6.523 2.332 ( 11.248 -4.663 4.489) 12.977 2.842 ( -2.461 2.158 5.063) 6.029 3.473 ( -4.918 -0.596 -3.830) 6.262 4.098 ( 23.382 -12.717 -0.045) 26.617 5.620 ( -0.598 -5.941 -0.373) 5.983 6.986 ( -10.159 -1.816 -0.902) 10.359 7.389 ( 14.706 -9.235 -3.042) 17.630 8.210 ( 1.082 2.171 3.056) 3.902 8.381 ( 1.553 -3.398 8.359) 9.156 8.863 ( 1.667 21.071 -5.978) 21.966 13.322 ( -12.637 3.333 2.370) 13.282 ======================= Grid point 421 (170/417) ======================= q-point: (-0.19 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 4.698 -4.592 -3.084) 7.258 2.470 ( 10.343 -7.936 3.288) 13.445 2.849 ( -0.469 2.410 5.110) 5.669 3.375 ( -6.000 2.214 -3.887) 7.484 4.250 ( 13.047 -21.790 -0.116) 25.398 5.569 ( 1.801 -4.231 -0.597) 4.637 6.872 ( -1.945 1.726 -1.143) 2.841 7.424 ( 5.065 -13.872 -3.716) 15.228 8.272 ( 2.767 0.283 2.362) 3.649 8.365 ( -4.335 -0.523 9.858) 10.782 9.046 ( -1.781 17.879 -7.311) 19.398 13.200 ( -7.690 5.688 4.275) 10.476 ======================= Grid point 422 (171/417) ======================= q-point: (-0.12 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 2.360 -5.727 -2.191) 6.570 2.547 ( 8.995 -9.003 -0.637) 12.742 2.922 ( 3.639 2.578 7.382) 8.625 3.292 ( -6.697 5.044 -3.996) 9.287 4.112 ( 0.057 -26.621 -0.098) 26.622 5.602 ( 5.602 -2.894 -0.110) 6.306 6.963 ( 8.138 6.396 -0.063) 10.350 7.295 ( -1.079 -16.648 -1.781) 16.778 8.253 ( -1.241 -6.848 0.936) 7.022 8.357 ( -4.032 7.217 7.998) 11.503 9.059 ( -10.881 11.068 -7.362) 17.179 13.205 ( -1.345 7.312 4.450) 8.665 ======================= Grid point 434 (172/417) ======================= q-point: (-0.38 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 0.000 -1.337 0.644) 1.483 2.071 ( 0.000 -2.806 5.352) 6.043 2.871 ( 0.000 3.067 5.630) 6.411 3.330 ( 0.000 -5.533 0.184) 5.536 3.623 ( -0.000 -2.204 -2.692) 3.479 5.637 ( 0.000 -3.239 2.167) 3.897 6.606 ( 0.000 1.969 3.016) 3.602 7.546 ( 0.000 -4.774 5.447) 7.243 8.214 ( -0.000 2.503 0.524) 2.557 8.232 ( -0.000 -6.083 -2.537) 6.591 8.669 ( -0.000 18.477 -2.401) 18.632 13.750 ( -0.000 0.886 -1.627) 1.853 ======================= Grid point 435 (173/417) ======================= q-point: (-0.31 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 4.208 -2.351 -0.222) 4.825 2.072 ( 2.782 -4.517 4.362) 6.868 2.907 ( -1.071 1.771 6.366) 6.694 3.386 ( 13.947 -8.661 0.353) 16.421 3.581 ( -1.467 -1.724 -2.838) 3.630 5.598 ( 0.906 -7.983 1.003) 8.097 6.762 ( 14.398 0.176 2.068) 14.547 7.408 ( -10.287 -5.963 2.877) 12.234 8.168 ( 0.974 -6.721 -2.730) 7.319 8.301 ( 2.852 6.384 7.187) 10.027 8.859 ( -0.436 23.406 -4.298) 23.802 13.695 ( -6.912 1.389 -0.624) 7.078 ======================= Grid point 436 (174/417) ======================= q-point: (-0.25 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 3.849 -4.241 -2.182) 6.128 2.127 ( 8.224 -5.865 3.700) 10.758 2.905 ( -1.850 -0.836 5.304) 5.679 3.526 ( -2.536 0.035 -1.170) 2.793 3.593 ( 20.679 -12.746 -0.736) 24.303 5.517 ( 1.554 -12.771 -0.448) 12.873 7.020 ( 16.447 -5.353 -1.144) 17.334 7.163 ( -12.041 -4.323 0.527) 12.804 8.128 ( 3.294 -6.396 -1.240) 7.300 8.441 ( 0.666 7.941 12.291) 14.649 9.077 ( -0.968 27.068 -6.304) 27.809 13.561 ( -10.837 2.719 1.654) 11.294 ======================= Grid point 437 (175/417) ======================= q-point: (-0.19 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 4.570 -5.330 -3.307) 7.761 2.228 ( 9.864 -8.326 2.590) 13.165 2.876 ( -0.645 -2.427 3.562) 4.358 3.479 ( -4.216 3.138 -0.848) 5.324 3.780 ( 18.201 -19.504 -0.037) 26.677 5.425 ( 4.363 -14.057 -0.972) 14.750 6.964 ( -7.789 -0.035 -0.036) 7.789 7.151 ( 9.854 -12.666 -3.398) 16.404 8.150 ( 5.446 -5.517 0.665) 7.780 8.532 ( -3.839 7.937 12.961) 15.675 9.288 ( -3.506 26.989 -8.454) 28.499 13.422 ( -10.325 4.661 4.538) 12.203 ======================= Grid point 438 (176/417) ======================= q-point: (-0.12 -0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 4.743 -5.641 -3.295) 8.073 2.297 ( 8.969 -10.798 0.515) 14.047 2.885 ( 3.401 -1.800 3.101) 4.942 3.439 ( -5.272 5.202 -0.079) 7.407 3.786 ( 8.186 -25.084 0.150) 26.387 5.410 ( 9.093 -11.759 -0.585) 14.877 6.926 ( 1.622 2.975 1.141) 3.576 7.111 ( 3.476 -14.876 -2.224) 15.437 8.166 ( 2.602 -6.585 0.181) 7.083 8.561 ( -6.396 8.346 11.332) 15.459 9.385 ( -11.014 22.466 -10.545) 27.152 13.353 ( -6.062 6.300 6.547) 10.922 ======================= Grid point 451 (177/417) ======================= q-point: (-0.31 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 0.000 -3.077 0.433) 3.107 2.010 ( 0.000 -6.270 2.575) 6.778 2.939 ( 0.000 -1.511 5.779) 5.974 3.171 ( 0.000 -10.997 0.275) 11.001 3.576 ( -0.000 -0.253 -1.038) 1.068 5.485 ( 0.000 -14.278 0.044) 14.278 6.656 ( 0.000 0.481 2.804) 2.845 7.444 ( 0.000 -7.069 1.699) 7.270 8.074 ( -0.000 -7.433 -2.381) 7.805 8.391 ( 0.000 11.033 10.042) 14.919 9.100 ( -0.000 28.084 -5.085) 28.540 13.766 ( -0.000 1.642 -0.521) 1.723 ======================= Grid point 452 (178/417) ======================= q-point: (-0.25 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 2.705 -4.624 -1.022) 5.454 1.971 ( 3.532 -7.762 1.776) 8.710 2.910 ( -0.789 -5.792 3.361) 6.743 3.167 ( 12.921 -13.986 0.141) 19.042 3.574 ( -1.416 2.188 1.273) 2.901 5.324 ( 1.553 -20.686 -1.171) 20.777 6.744 ( 9.700 -3.772 0.705) 10.431 7.306 ( -8.443 -4.537 0.072) 9.585 8.018 ( 1.829 -5.611 -1.392) 6.064 8.558 ( 1.331 11.380 13.106) 17.408 9.364 ( -1.222 31.591 -5.754) 32.134 13.734 ( -5.846 2.555 0.953) 6.451 ======================= Grid point 453 (179/417) ======================= q-point: (-0.19 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 3.222 -6.836 -3.052) 8.150 2.001 ( 7.886 -8.656 1.484) 11.803 2.838 ( 0.058 -8.073 1.177) 8.159 3.282 ( 17.608 -18.399 -0.739) 25.478 3.580 ( -2.452 4.266 3.463) 6.017 5.151 ( 5.298 -24.070 -1.670) 24.703 6.844 ( 9.685 -11.176 -2.301) 14.967 7.124 ( -9.299 0.192 0.127) 9.302 8.026 ( 4.105 -2.914 0.386) 5.049 8.706 ( -1.455 9.633 12.894) 16.161 9.618 ( -3.949 32.452 -7.047) 33.443 13.644 ( -8.856 3.985 3.787) 10.424 ======================= Grid point 454 (180/417) ======================= q-point: (-0.12 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 5.460 -6.970 -3.720) 9.604 2.047 ( 8.125 -11.032 0.486) 13.710 2.790 ( 3.423 -7.274 0.438) 8.051 3.340 ( 12.728 -22.616 -1.496) 25.995 3.594 ( -2.951 4.726 4.656) 7.260 5.060 ( 12.088 -22.475 -1.320) 25.554 6.834 ( 5.701 -14.195 -1.956) 15.422 7.030 ( -3.982 3.153 1.131) 5.204 8.069 ( 3.000 -2.914 0.524) 4.215 8.778 ( -4.692 8.617 11.020) 14.755 9.782 ( -10.006 29.459 -9.931) 32.658 13.558 ( -8.323 5.352 6.985) 12.112 ======================= Grid point 468 (181/417) ======================= q-point: (-0.25 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.000 -5.495 -0.203) 5.499 1.858 ( 0.000 -10.078 -0.627) 10.098 2.842 ( 0.000 -10.433 0.666) 10.454 2.913 ( 0.000 -15.487 0.213) 15.488 3.623 ( 0.000 3.511 4.063) 5.370 5.064 ( 0.000 -28.215 -2.078) 28.292 6.628 ( 0.000 -4.915 0.397) 4.931 7.335 ( -0.000 -3.349 -1.397) 3.628 7.960 ( 0.000 -2.438 -0.295) 2.456 8.704 ( 0.000 11.570 13.589) 17.847 9.684 ( -0.000 34.877 -4.658) 35.186 13.811 ( 0.000 2.846 1.242) 3.106 ======================= Grid point 469 (182/417) ======================= q-point: (-0.19 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 1.171 -9.821 -2.789) 10.276 1.807 ( 5.091 -9.090 -0.102) 10.420 2.729 ( 0.655 -12.841 -0.922) 12.891 2.855 ( 11.101 -17.712 -0.210) 20.904 3.665 ( -1.054 3.825 5.502) 6.783 4.785 ( 3.894 -32.915 -2.557) 33.243 6.611 ( 5.132 -9.279 -1.529) 10.713 7.260 ( -5.851 0.546 -1.253) 6.009 7.968 ( 1.727 0.834 0.870) 2.106 8.849 ( -0.122 9.027 12.187) 15.166 9.994 ( -3.000 35.963 -4.270) 36.340 13.807 ( -4.624 3.547 3.079) 6.591 ======================= Grid point 470 (183/417) ======================= q-point: (-0.12 -0.25 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 4.783 -10.741 -3.781) 12.351 1.816 ( 6.880 -10.575 -0.548) 12.628 2.633 ( 3.610 -12.313 -1.251) 12.892 2.889 ( 13.885 -20.948 -0.627) 25.140 3.700 ( -1.576 4.219 5.888) 7.413 4.578 ( 11.658 -32.842 -2.384) 34.931 6.590 ( 5.769 -12.628 -2.261) 14.067 7.171 ( -6.743 4.504 0.509) 8.125 8.023 ( 1.978 1.696 1.057) 2.811 8.943 ( -1.898 6.714 9.440) 11.739 10.224 ( -8.816 33.730 -6.224) 35.414 13.760 ( -6.918 4.433 6.182) 10.283 ======================= Grid point 485 (184/417) ======================= q-point: (-0.19 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.000 -14.162 -3.610) 14.615 1.670 ( 0.000 -9.476 -1.183) 9.550 2.574 ( 0.000 -15.895 -2.121) 16.036 2.589 ( 0.000 -17.197 0.002) 17.197 3.719 ( 0.000 1.397 6.564) 6.711 4.391 ( 0.000 -37.779 -3.442) 37.936 6.476 ( 0.000 -9.517 -1.740) 9.675 7.318 ( -0.000 3.100 -2.205) 3.804 7.985 ( 0.000 4.060 1.610) 4.368 8.962 ( 0.000 6.098 10.892) 12.482 10.371 ( -0.000 37.356 -2.081) 37.414 13.888 ( 0.000 3.231 3.414) 4.700 ======================= Grid point 486 (185/417) ======================= q-point: (-0.12 -0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 3.102 -15.238 -4.592) 16.214 1.603 ( 4.915 -12.144 -1.639) 13.203 2.429 ( 3.000 -16.535 -2.226) 16.952 2.503 ( 8.595 -17.509 -0.126) 19.505 3.738 ( 1.918 -4.662 7.611) 9.129 4.067 ( 5.563 -34.010 -4.587) 34.766 6.398 ( 2.748 -10.549 -2.073) 11.096 7.321 ( -4.286 6.675 -1.119) 8.011 8.043 ( 0.391 5.241 1.676) 5.516 9.034 ( -0.205 2.725 8.418) 8.850 10.677 ( -5.906 35.805 -2.254) 36.359 13.902 ( -3.257 3.227 5.237) 6.961 ======================= Grid point 502 (186/417) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.000 -18.052 -5.847) 18.975 1.413 ( 0.000 -16.278 -2.208) 16.427 2.215 ( 0.000 -19.679 -2.243) 19.807 2.278 ( 0.000 -13.968 -0.234) 13.970 3.457 ( 0.000 -41.701 3.204) 41.824 3.881 ( -0.000 -2.109 -0.735) 2.233 6.274 ( 0.000 -9.273 -1.907) 9.467 7.434 ( -0.000 9.947 -1.316) 10.033 8.108 ( 0.000 6.750 1.810) 6.989 9.063 ( 0.000 -1.908 7.396) 7.638 11.076 ( -0.000 35.251 -0.239) 35.252 13.969 ( 0.000 1.962 5.188) 5.547 ======================= Grid point 555 (187/417) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 0.000 -0.000 20.639) 20.639 0.408 ( 0.000 -0.000 20.639) 20.639 0.838 ( 0.000 -0.000 42.940) 42.940 1.886 ( -0.000 0.000 -2.826) 2.826 1.886 ( -0.000 0.000 -2.826) 2.826 4.589 ( -0.000 0.000 -9.365) 9.365 6.013 ( 0.000 -0.000 2.303) 2.303 6.013 ( 0.000 -0.000 2.303) 2.303 8.362 ( -0.000 0.000 -1.622) 1.622 8.362 ( -0.000 0.000 -1.622) 1.622 12.358 ( 0.000 -0.000 1.129) 1.129 12.845 ( -0.000 0.000 -0.549) 0.549 ======================= Grid point 556 (188/417) ======================= q-point: ( 0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 16.341 9.434 13.255) 23.059 0.809 ( 12.544 7.242 21.477) 25.905 1.286 ( 27.794 16.047 24.561) 40.414 1.900 ( 2.679 1.547 -3.651) 4.785 2.058 ( 15.970 9.220 -3.065) 18.693 4.005 ( -12.779 -7.378 3.624) 15.195 6.045 ( 2.228 1.286 2.349) 3.484 7.597 ( 44.635 25.770 -36.385) 63.089 8.282 ( 3.915 2.260 -10.953) 11.849 8.330 ( -2.613 -1.509 -1.549) 3.392 12.245 ( -12.571 -7.258 4.971) 15.344 13.258 ( 23.293 13.448 -29.920) 40.233 ======================= Grid point 557 (189/417) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 17.736 10.240 8.394) 22.134 1.112 ( 10.173 5.874 18.592) 21.992 1.911 ( 20.171 11.646 11.233) 25.859 1.990 ( 6.791 3.921 -4.203) 8.897 2.637 ( 35.258 20.356 -0.886) 40.722 3.847 ( -3.885 -2.243 -3.947) 5.975 6.127 ( 4.501 2.599 1.988) 5.565 7.646 ( -13.102 -7.564 -2.300) 15.302 8.243 ( -4.508 -2.603 -1.309) 5.368 8.662 ( 20.999 12.124 -20.869) 31.992 11.881 ( -20.848 -12.037 9.770) 25.980 13.499 ( 7.975 4.604 -28.745) 30.184 ======================= Grid point 558 (190/417) ======================= q-point: ( 0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 11.788 6.806 11.489) 17.812 1.479 ( 12.709 7.337 5.345) 15.618 2.194 ( 12.802 7.391 -3.635) 15.223 2.321 ( 14.953 8.633 7.453) 18.806 3.451 ( 31.048 17.926 -6.186) 36.381 3.798 ( 4.695 2.711 -1.275) 5.569 6.255 ( 6.322 3.650 1.142) 7.388 7.337 ( -12.087 -6.978 -2.854) 14.246 8.133 ( -4.623 -2.669 -0.781) 5.395 8.915 ( 6.385 3.686 -12.450) 14.469 11.403 ( -24.884 -14.367 13.825) 31.887 13.494 ( 0.292 0.169 -23.622) 23.624 ======================= Grid point 559 (191/417) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 7.251 4.186 2.438) 8.720 1.715 ( 13.379 7.724 5.922) 16.545 2.522 ( 16.280 9.400 -2.010) 18.906 2.642 ( 11.635 6.718 5.749) 14.614 3.595 ( -1.816 -1.049 -11.670) 11.857 4.375 ( 31.744 18.327 3.032) 36.780 6.407 ( 6.712 3.875 -0.186) 7.752 7.124 ( -5.322 -3.073 -3.916) 7.287 8.048 ( -2.526 -1.458 0.152) 2.921 8.889 ( -4.676 -2.699 -10.454) 11.766 10.851 ( -28.589 -16.506 14.221) 35.945 13.409 ( -1.241 -0.716 -16.980) 17.041 ======================= Grid point 560 (192/417) ======================= q-point: ( 0.44 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 4.582 2.646 0.702) 5.338 2.039 ( 14.218 8.209 2.149) 16.557 2.869 ( 7.206 4.161 2.140) 8.592 2.871 ( 14.565 8.409 -0.962) 16.846 3.502 ( -3.108 -1.795 -7.504) 8.319 5.006 ( 23.195 13.392 0.891) 26.798 6.540 ( 5.237 3.024 -1.766) 6.300 7.094 ( 3.946 2.278 -3.645) 5.834 8.032 ( 0.945 0.546 1.398) 1.774 8.684 ( -9.654 -5.574 -9.325) 14.534 10.204 ( -32.469 -18.746 9.726) 38.733 13.356 ( 0.452 0.261 -8.907) 8.922 ======================= Grid point 561 (193/417) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 2.959 1.708 -0.168) 3.421 2.361 ( 14.208 8.203 -0.755) 16.423 2.960 ( 1.021 0.589 -5.462) 5.587 3.150 ( 10.273 5.931 -0.460) 11.872 3.427 ( -2.297 -1.326 0.852) 2.786 5.417 ( 13.915 8.034 -0.776) 16.086 6.627 ( 3.249 1.876 -2.956) 4.777 7.270 ( 12.045 6.954 -2.794) 14.186 8.089 ( 3.135 1.810 2.426) 4.358 8.443 ( -8.627 -4.981 -6.483) 11.886 9.479 ( -33.326 -19.241 3.929) 38.682 13.369 ( 1.996 1.152 -2.040) 3.078 ======================= Grid point 562 (194/417) ======================= q-point: ( 0.56 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 1.498 0.865 -0.617) 1.837 2.664 ( 13.262 7.657 -4.854) 16.064 2.885 ( -4.734 -2.733 -9.622) 11.067 3.323 ( 5.233 3.021 -0.194) 6.046 3.403 ( -1.568 -0.905 7.636) 7.848 5.648 ( 7.371 4.256 -1.691) 8.677 6.675 ( 2.078 1.200 -3.262) 4.049 7.583 ( 16.059 9.271 -3.288) 18.832 8.163 ( 2.145 1.238 2.785) 3.727 8.279 ( -4.755 -2.745 -2.415) 5.998 8.784 ( -27.775 -16.036 0.480) 32.076 13.419 ( 2.225 1.285 2.466) 3.561 ======================= Grid point 563 (195/417) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.005 0.003 -0.818) 0.818 2.683 ( -7.494 -4.327 -14.357) 16.763 2.950 ( 11.106 6.412 -3.100) 13.193 3.383 ( 0.177 0.102 -0.018) 0.205 3.384 ( -2.773 -1.601 9.884) 10.390 5.740 ( 1.134 0.655 -1.373) 1.897 6.704 ( 1.431 0.826 -2.723) 3.185 7.901 ( 6.582 3.800 -6.232) 9.829 8.147 ( -4.329 -2.499 1.391) 5.189 8.185 ( -1.111 -0.641 2.463) 2.777 8.402 ( -1.528 -0.882 0.207) 1.776 13.478 ( 1.873 1.081 5.273) 5.699 ======================= Grid point 564 (196/417) ======================= q-point: (-0.31 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -1.557 -0.899 -0.834) 1.982 2.444 ( -9.811 -5.664 -11.148) 15.894 3.125 ( 3.606 2.082 -6.607) 7.809 3.331 ( -4.810 -2.777 0.147) 5.557 3.374 ( 1.027 0.593 10.503) 10.570 5.685 ( -5.963 -3.443 0.014) 6.886 6.720 ( 0.415 0.240 -1.552) 1.624 7.667 ( -14.045 -8.109 0.587) 16.228 8.130 ( -4.142 -2.391 1.551) 5.028 8.371 ( 12.959 7.482 -2.013) 15.099 8.604 ( 18.249 10.536 -3.798) 21.412 13.541 ( 2.178 1.257 7.157) 7.586 ======================= Grid point 565 (197/417) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -3.262 -1.883 -0.694) 3.830 2.178 ( -11.189 -6.460 -7.777) 15.080 3.051 ( -7.159 -4.133 -1.259) 8.362 3.169 ( -9.623 -5.556 0.353) 11.118 3.511 ( 7.175 4.142 3.262) 8.904 5.462 ( -14.523 -8.385 1.325) 16.822 6.703 ( -1.993 -1.151 0.007) 2.301 7.406 ( -9.457 -5.460 3.372) 11.428 8.031 ( -4.269 -2.465 0.177) 4.933 8.644 ( 12.139 7.008 -0.967) 14.050 9.100 ( 26.371 15.225 -9.039) 31.764 13.629 ( 3.643 2.103 8.040) 9.074 ======================= Grid point 566 (198/417) ======================= q-point: (-0.19 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -5.393 -3.114 -0.370) 6.238 1.893 ( -12.538 -7.239 -3.850) 14.981 2.840 ( -11.227 -6.482 0.567) 12.976 2.909 ( -13.517 -7.804 0.603) 15.620 3.669 ( 6.106 3.526 -0.314) 7.058 5.024 ( -25.137 -14.513 1.853) 29.085 6.618 ( -5.848 -3.376 1.384) 6.893 7.276 ( -3.139 -1.812 4.395) 5.697 7.969 ( -0.630 -0.364 -1.156) 1.366 8.890 ( 9.901 5.716 -3.662) 12.004 9.706 ( 29.931 17.281 -8.048) 35.486 13.755 ( 5.218 3.013 6.942) 9.192 ======================= Grid point 567 (199/417) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -14.151 -8.170 0.549) 16.349 1.662 ( -8.741 -5.047 0.387) 10.101 2.558 ( -14.144 -8.166 1.260) 16.381 2.586 ( -14.865 -8.582 0.719) 17.180 3.769 ( 2.746 1.585 -3.579) 4.781 4.361 ( -33.667 -19.438 2.840) 38.979 6.458 ( -8.471 -4.891 1.937) 9.971 7.291 ( 3.232 1.866 3.369) 5.028 8.001 ( 3.747 2.163 -1.779) 4.678 9.044 ( 4.911 2.836 -5.922) 8.200 10.380 ( 31.582 18.234 -4.049) 36.691 13.891 ( 4.960 2.864 2.803) 6.376 ======================= Grid point 572 (200/417) ======================= q-point: ( 0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 18.088 14.210) 23.002 0.875 ( 0.000 18.806 18.663) 26.495 1.353 ( 0.000 26.486 28.323) 38.777 1.911 ( -0.000 4.254 -3.412) 5.454 2.021 ( -0.000 17.193 -4.285) 17.719 4.012 ( 0.000 -16.082 1.869) 16.191 6.062 ( 0.000 3.145 2.830) 4.231 7.440 ( -0.000 54.705 -33.266) 64.026 8.303 ( -0.000 4.392 -9.062) 10.070 8.309 ( -0.000 -3.838 -2.143) 4.395 12.248 ( 0.000 -15.694 4.845) 16.425 13.182 ( -0.000 26.156 -25.319) 36.403 ======================= Grid point 573 (201/417) ======================= q-point: ( 0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 8.493 18.374 10.559) 22.830 1.134 ( 4.466 10.902 20.226) 23.407 1.813 ( 12.802 19.953 14.971) 28.039 1.966 ( 2.182 7.804 -3.979) 9.028 2.404 ( 19.656 29.813 -2.064) 35.769 3.865 ( -3.265 -5.175 -3.698) 7.150 6.121 ( 1.623 4.833 2.730) 5.783 7.690 ( -1.722 -5.663 -4.658) 7.532 8.238 ( -1.032 -4.437 -2.956) 5.430 8.476 ( 11.069 22.963 -21.666) 33.456 11.996 ( -9.387 -22.159 8.246) 25.439 13.381 ( 5.472 15.401 -27.984) 32.407 ======================= Grid point 574 (202/417) ======================= q-point: ( 0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 6.283 9.364 15.074) 18.825 1.415 ( 9.530 13.808 7.355) 18.319 2.120 ( 7.136 12.608 -3.498) 14.904 2.218 ( 12.207 13.021 8.307) 19.687 3.137 ( 28.694 29.252 -3.031) 41.088 3.785 ( -0.762 0.713 -4.684) 4.799 6.229 ( 3.601 6.612 2.316) 7.878 7.447 ( -11.267 -10.471 -1.740) 15.479 8.155 ( -2.332 -4.750 -1.637) 5.538 8.782 ( 9.868 9.361 -15.292) 20.466 11.593 ( -14.904 -24.372 12.182) 31.057 13.445 ( -0.134 7.033 -25.073) 26.041 ======================= Grid point 575 (203/417) ======================= q-point: ( 0.38 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 8.854 9.025 9.076) 15.563 1.672 ( 6.129 8.713 3.789) 11.306 2.412 ( 11.083 15.743 -1.600) 19.319 2.557 ( 11.164 11.523 6.213) 17.205 3.550 ( 2.697 1.438 -13.558) 13.898 4.099 ( 25.502 23.945 4.204) 35.234 6.379 ( 4.398 8.490 1.498) 9.678 7.180 ( -8.313 -6.767 -2.985) 11.127 8.072 ( -2.298 -2.600 -0.873) 3.578 8.860 ( 0.670 -2.008 -11.609) 11.800 11.107 ( -19.634 -24.798 13.857) 34.532 13.388 ( -2.673 2.789 -19.498) 19.877 ======================= Grid point 576 (204/417) ======================= q-point: ( 0.44 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 3.517 6.139 1.803) 7.301 1.915 ( 11.250 9.190 3.740) 15.000 2.724 ( 10.200 7.950 1.336) 13.001 2.868 ( 8.476 16.614 1.830) 18.741 3.498 ( -1.598 -1.299 -10.070) 10.278 4.768 ( 24.059 19.748 2.086) 31.195 6.537 ( 2.981 9.905 0.157) 10.345 7.046 ( -0.395 -2.564 -3.078) 4.025 8.037 ( -0.230 0.471 0.239) 0.576 8.723 ( -6.061 -7.186 -10.490) 14.085 10.528 ( -25.802 -24.215 10.680) 36.962 13.320 ( -0.567 0.464 -11.615) 11.638 ======================= Grid point 577 (205/417) ======================= q-point: ( 0.50 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 1.677 5.470 0.348) 5.732 2.211 ( 12.745 8.522 -0.069) 15.332 2.887 ( 4.759 -0.143 -1.774) 5.081 3.162 ( 4.781 19.068 -1.108) 19.690 3.440 ( -1.015 -0.803 -2.283) 2.624 5.264 ( 15.718 12.454 0.376) 20.058 6.662 ( 0.024 10.915 -1.358) 10.999 7.106 ( 9.379 0.561 -2.259) 9.663 8.075 ( 2.084 2.848 1.565) 3.861 8.499 ( -7.321 -7.180 -8.286) 13.183 9.847 ( -30.908 -21.693 4.793) 38.064 13.312 ( 2.872 -1.231 -3.951) 5.037 ======================= Grid point 578 (206/417) ======================= q-point: ( 0.56 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.095 4.900 -0.390) 4.917 2.500 ( 12.869 7.509 -4.508) 15.567 2.877 ( -1.449 -3.316 -7.110) 7.978 3.357 ( 0.556 10.088 -0.220) 10.106 3.452 ( -0.487 5.898 4.800) 7.620 5.557 ( 8.886 6.742 -1.069) 11.206 6.743 ( -2.776 11.941 -2.311) 12.475 7.330 ( 16.341 0.312 -1.875) 16.451 8.144 ( 1.659 1.455 2.013) 2.986 8.327 ( -3.819 -2.605 -4.184) 6.235 9.140 ( -30.832 -15.680 0.265) 34.591 13.357 ( 4.825 -2.543 1.375) 5.625 ======================= Grid point 579 (207/417) ======================= q-point: ( 0.62 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -1.447 4.069 -0.784) 4.389 2.679 ( -0.001 -0.408 -16.448) 16.453 2.829 ( 6.475 2.349 -0.114) 6.889 3.397 ( -0.614 -1.109 6.915) 7.030 3.524 ( -5.093 12.917 1.417) 13.957 5.705 ( 3.979 2.545 -1.678) 5.013 6.791 ( -4.552 12.352 -2.417) 13.384 7.595 ( 17.039 -6.580 -2.934) 18.500 8.149 ( -0.113 -1.536 0.743) 1.710 8.308 ( 0.147 3.635 0.784) 3.722 8.578 ( -21.811 -3.669 -1.338) 22.158 13.424 ( 5.133 -3.293 4.503) 7.581 ======================= Grid point 580 (208/417) ======================= q-point: (-0.31 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -2.903 2.835 -0.932) 4.163 2.508 ( -8.064 -4.060 -12.515) 15.432 3.019 ( 8.952 3.520 -5.876) 11.272 3.383 ( -1.214 -2.576 9.498) 9.915 3.518 ( -9.680 10.782 0.580) 14.501 5.726 ( -1.849 -1.238 -0.948) 2.419 6.814 ( -5.562 11.398 -1.838) 12.815 7.628 ( 1.944 -18.726 -1.655) 18.900 8.165 ( -0.070 0.774 1.118) 1.362 8.369 ( -1.345 11.383 -0.887) 11.496 8.449 ( 7.906 5.893 -1.677) 10.002 13.494 ( 5.036 -3.209 6.245) 8.641 ======================= Grid point 581 (209/417) ======================= q-point: (-0.25 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -4.252 1.125 -0.870) 4.483 2.280 ( -10.212 -3.878 -8.906) 14.094 3.081 ( -1.051 -2.389 -4.527) 5.226 3.374 ( -9.913 5.524 1.901) 11.507 3.458 ( 0.476 2.899 4.560) 5.424 5.604 ( -9.459 -5.003 0.542) 10.714 6.808 ( -6.631 8.697 -0.673) 10.957 7.426 ( -3.344 -15.055 1.376) 15.483 8.103 ( -5.814 -1.024 1.276) 6.040 8.540 ( 8.171 9.464 -2.731) 12.798 8.799 ( 21.875 11.967 -5.189) 25.469 13.577 ( 5.643 -2.200 6.825) 9.124 ======================= Grid point 582 (210/417) ======================= q-point: (-0.19 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -5.748 -1.306 -0.601) 5.925 2.038 ( -11.888 -2.815 -4.794) 13.123 2.947 ( -8.143 -5.508 -0.380) 9.838 3.164 ( -18.465 3.836 0.225) 18.861 3.584 ( 7.125 2.241 0.449) 7.483 5.296 ( -19.769 -9.393 1.551) 21.942 6.743 ( -8.783 3.978 0.826) 9.677 7.275 ( -0.972 -9.200 3.005) 9.727 8.006 ( -4.349 0.082 -0.204) 4.355 8.765 ( 9.900 6.727 -5.343) 13.108 9.337 ( 28.606 13.703 -4.980) 32.107 13.687 ( 6.767 -0.829 5.633) 8.843 ======================= Grid point 583 (211/417) ======================= q-point: (-0.12 0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -10.010 -4.988 0.381) 11.190 1.809 ( -11.682 -0.496 -0.591) 11.707 2.718 ( -12.296 -6.117 1.217) 13.788 2.852 ( -20.804 0.585 0.353) 20.815 3.707 ( 5.241 1.670 -3.132) 6.330 4.762 ( -30.982 -13.114 2.199) 33.715 6.595 ( -10.793 -0.823 1.839) 10.980 7.240 ( 3.257 -3.883 2.707) 5.746 7.979 ( 0.352 2.161 -1.329) 2.561 8.947 ( 7.649 3.750 -7.627) 11.434 9.980 ( 32.648 14.078 -1.687) 35.594 13.813 ( 6.882 -0.254 1.792) 7.116 ======================= Grid point 589 (212/417) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 17.617 9.466) 19.999 1.280 ( 0.000 11.735 19.234) 22.532 1.959 ( 0.000 19.597 12.123) 23.043 2.015 ( -0.000 9.225 -3.868) 10.003 2.581 ( -0.000 40.853 -1.305) 40.874 3.830 ( -0.000 -3.740 -5.169) 6.381 6.172 ( 0.000 6.344 2.807) 6.938 7.634 ( 0.000 -7.426 -1.626) 7.602 8.193 ( -0.000 -6.296 -2.207) 6.672 8.542 ( -0.000 21.627 -20.804) 30.009 11.844 ( 0.000 -29.151 8.697) 30.421 13.420 ( -0.000 16.534 -25.955) 30.774 ======================= Grid point 590 (213/417) ======================= q-point: ( 0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 5.187 13.204 8.508) 16.542 1.464 ( 2.681 11.027 14.689) 18.561 2.148 ( 4.523 14.392 -3.009) 15.383 2.225 ( 6.565 15.559 7.726) 18.570 3.095 ( 12.961 36.631 -3.231) 38.991 3.794 ( -0.122 3.282 -4.783) 5.802 6.266 ( 1.923 8.161 2.676) 8.801 7.489 ( -6.369 -10.758 -0.530) 12.514 8.116 ( -0.547 -6.018 -2.042) 6.379 8.703 ( 5.271 10.938 -16.047) 20.122 11.522 ( -5.764 -32.117 10.986) 34.429 13.474 ( -1.335 11.300 -23.541) 26.147 ======================= Grid point 591 (214/417) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 4.405 9.488 10.507) 14.827 1.681 ( 5.372 9.362 4.993) 11.893 2.413 ( 7.849 16.808 -0.127) 18.551 2.531 ( 10.114 15.521 4.760) 19.127 3.470 ( 4.925 6.667 -12.853) 15.294 4.031 ( 14.058 27.656 3.226) 31.191 6.415 ( 3.815 10.743 2.707) 11.717 7.250 ( -9.221 -8.009 -2.057) 12.385 8.055 ( -0.026 -4.136 -1.556) 4.419 8.777 ( 2.387 -0.987 -12.419) 12.685 11.115 ( -9.773 -32.451 12.963) 36.286 13.435 ( -4.824 6.370 -19.708) 21.266 ======================= Grid point 592 (215/417) ======================= q-point: ( 0.44 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 3.935 7.302 5.151) 9.764 1.867 ( 6.943 9.267 3.355) 12.056 2.669 ( 6.726 8.472 2.765) 11.165 2.907 ( 10.836 22.074 1.027) 24.612 3.471 ( -0.319 0.017 -11.033) 11.037 4.623 ( 19.598 26.098 2.617) 32.742 6.608 ( 3.488 13.546 2.423) 14.197 7.052 ( -5.353 -4.380 -2.323) 7.296 8.033 ( 0.902 -0.607 -1.071) 1.526 8.686 ( -2.792 -7.853 -11.273) 14.019 10.642 ( -14.984 -30.868 11.731) 36.263 13.334 ( -4.792 2.337 -13.959) 14.943 ======================= Grid point 593 (216/417) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 1.827 7.071 1.702) 7.499 2.107 ( 9.755 8.634 1.164) 13.079 2.815 ( 4.149 1.483 0.145) 4.408 3.285 ( 6.243 23.233 -2.002) 24.141 3.441 ( -0.069 1.653 -3.160) 3.567 5.144 ( 15.607 17.196 1.361) 23.263 6.788 ( 0.819 14.160 1.176) 14.232 6.996 ( 2.314 -0.144 -1.022) 2.534 8.072 ( 2.447 3.011 -0.149) 3.883 8.493 ( -5.097 -9.207 -9.852) 14.416 10.082 ( -21.688 -26.667 6.862) 35.051 13.254 ( -0.754 -1.449 -7.139) 7.324 ======================= Grid point 594 (217/417) ======================= q-point: ( 0.56 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 0.004 7.055 0.405) 7.067 2.359 ( 10.945 7.559 -2.955) 13.626 2.839 ( 0.341 -2.334 -4.129) 4.755 3.402 ( -0.188 1.124 0.363) 1.196 3.619 ( 0.766 23.234 1.374) 23.287 5.481 ( 9.223 9.257 0.208) 13.069 6.925 ( -0.347 13.268 -0.079) 13.272 7.101 ( 7.931 2.400 0.156) 8.288 8.147 ( 1.317 3.036 0.368) 3.329 8.319 ( -2.099 -5.613 -6.276) 8.678 9.464 ( -25.847 -18.932 1.375) 32.069 13.240 ( 3.975 -4.608 -1.342) 6.232 ======================= Grid point 595 (218/417) ======================= q-point: ( 0.62 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -1.916 6.460 -0.403) 6.750 2.578 ( 8.209 5.166 -10.550) 14.331 2.786 ( -0.550 -1.959 -2.508) 3.229 3.406 ( -0.127 -2.240 6.196) 6.590 3.805 ( -5.933 23.070 0.088) 23.821 5.656 ( 4.821 3.735 -0.708) 6.139 7.025 ( -3.977 14.757 -0.738) 15.301 7.276 ( 11.438 -2.549 0.296) 11.722 8.138 ( -0.400 -1.666 -1.680) 2.399 8.307 ( 1.749 0.959 0.181) 2.003 8.911 ( -22.743 -6.830 -2.269) 23.854 13.281 ( 6.827 -6.456 2.413) 9.701 ======================= Grid point 596 (219/417) ======================= q-point: (-0.31 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -3.694 4.877 -0.882) 6.181 2.561 ( -5.505 -0.269 -12.583) 13.737 2.878 ( 8.995 2.691 -3.304) 9.953 3.392 ( -0.427 -4.328 8.950) 9.950 3.865 ( -12.155 20.647 -0.430) 23.964 5.721 ( 1.174 -0.161 -0.862) 1.466 7.071 ( -6.770 13.902 -0.853) 15.486 7.370 ( 5.947 -11.138 0.244) 12.628 8.157 ( 3.012 1.908 -1.161) 3.750 8.353 ( 3.551 1.070 2.919) 4.719 8.603 ( -11.792 5.599 -4.877) 13.935 13.352 ( 7.804 -6.816 4.356) 11.239 ======================= Grid point 597 (220/417) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -5.090 2.357 -0.999) 5.698 2.398 ( -9.339 0.612 -8.720) 12.792 3.011 ( 5.393 -0.072 -6.448) 8.406 3.386 ( 1.866 -3.306 9.106) 9.866 3.795 ( -17.439 16.617 -0.551) 24.094 5.681 ( -4.221 -3.068 -0.076) 5.219 7.065 ( -8.601 11.724 -0.161) 14.541 7.278 ( -0.107 -14.700 1.006) 14.735 8.192 ( -2.938 1.759 0.590) 3.475 8.522 ( 6.247 5.304 3.215) 8.803 8.589 ( 9.204 9.769 -8.774) 16.035 13.438 ( 8.203 -5.912 4.747) 11.171 ======================= Grid point 598 (221/417) ======================= q-point: (-0.19 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -6.256 -0.206 -0.480) 6.278 2.212 ( -11.445 1.833 -5.036) 12.638 2.991 ( -2.923 -3.971 -3.088) 5.818 3.461 ( 4.265 0.292 4.084) 5.913 3.605 ( -19.431 10.888 -0.879) 22.291 5.503 ( -12.720 -5.609 0.876) 13.930 6.996 ( -12.522 8.832 1.348) 15.382 7.152 ( 2.281 -13.190 1.388) 13.458 8.113 ( -7.011 1.622 0.294) 7.202 8.660 ( 7.392 5.348 -6.979) 11.487 8.998 ( 24.224 10.765 -0.740) 26.519 13.545 ( 8.798 -4.418 3.358) 10.402 ======================= Grid point 599 (222/417) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -8.071 -1.523 1.097) 8.287 2.017 ( -12.546 1.854 -1.861) 12.818 2.845 ( -8.387 -4.422 -0.258) 9.485 3.274 ( -24.293 5.591 0.873) 24.943 3.608 ( 6.550 0.995 -2.346) 7.028 5.136 ( -23.936 -7.376 1.509) 25.093 6.822 ( -14.422 2.114 2.248) 14.749 7.120 ( 4.831 -7.212 0.936) 8.731 8.032 ( -4.258 2.538 -0.706) 5.007 8.815 ( 8.767 3.126 -9.277) 13.141 9.569 ( 30.242 10.977 2.601) 32.277 13.664 ( 8.940 -3.451 -0.238) 9.586 ======================= Grid point 606 (223/417) ======================= q-point: ( 0.31 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.000 11.442 5.537) 12.712 1.593 ( 0.000 9.376 14.535) 17.297 2.234 ( -0.000 15.727 -3.218) 16.053 2.351 ( 0.000 15.770 6.709) 17.137 3.313 ( -0.000 26.652 -7.341) 27.644 3.862 ( -0.000 16.828 -1.401) 16.887 6.336 ( -0.000 8.530 1.882) 8.735 7.447 ( 0.000 -9.012 -0.328) 9.018 8.054 ( 0.000 -6.249 -1.517) 6.431 8.695 ( -0.000 5.489 -14.713) 15.704 11.268 ( 0.000 -36.096 11.419) 37.859 13.529 ( -0.000 10.825 -20.850) 23.492 ======================= Grid point 607 (224/417) ======================= q-point: ( 0.38 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 4.137 8.177 3.602) 9.847 1.732 ( 1.457 8.113 11.307) 13.993 2.460 ( 7.010 18.312 -1.544) 19.669 2.551 ( 5.060 13.573 4.647) 15.212 3.448 ( 1.086 6.114 -12.069) 13.573 4.174 ( 5.984 33.986 2.644) 34.610 6.458 ( 3.800 9.599 1.602) 10.447 7.309 ( -6.514 -6.471 -1.901) 9.377 8.000 ( 0.604 -4.218 -0.925) 4.361 8.687 ( 1.574 -2.583 -12.337) 12.702 10.919 ( -3.249 -37.183 12.455) 39.348 13.526 ( -4.145 7.926 -17.739) 19.866 ======================= Grid point 608 (225/417) ======================= q-point: ( 0.44 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 5.909 7.140 1.692) 9.422 1.872 ( 2.853 6.824 7.974) 10.876 2.680 ( 3.103 8.982 2.375) 9.795 2.900 ( 14.638 20.107 -0.414) 24.875 3.451 ( -0.110 2.290 -9.856) 10.120 4.653 ( 10.733 30.852 2.192) 32.739 6.663 ( 6.779 12.336 2.159) 14.240 7.121 ( -8.090 -3.590 -2.525) 9.204 7.993 ( 1.901 -0.860 -0.811) 2.239 8.603 ( -0.908 -8.188 -11.053) 13.786 10.523 ( -6.085 -36.228 12.108) 38.680 13.433 ( -7.640 4.472 -14.039) 16.597 ======================= Grid point 609 (226/417) ======================= q-point: ( 0.50 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 3.047 6.238 3.798) 7.913 2.046 ( 7.648 7.319 1.214) 10.656 2.781 ( 2.026 2.280 0.104) 3.051 3.333 ( 10.674 17.505 -4.573) 21.006 3.466 ( 2.456 7.985 -0.824) 8.395 5.105 ( 11.219 21.347 1.380) 24.155 6.889 ( 1.272 10.040 0.937) 10.163 7.010 ( 0.162 4.167 0.504) 4.201 8.045 ( 3.474 2.820 -1.059) 4.597 8.439 ( -3.481 -9.663 -10.106) 14.410 10.086 ( -10.260 -32.592 9.109) 35.362 13.289 ( -7.131 0.656 -9.527) 11.918 ======================= Grid point 610 (227/417) ======================= q-point: ( 0.56 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 1.750 6.410 2.123) 6.975 2.258 ( 9.020 7.076 -1.830) 11.610 2.800 ( 0.588 -1.571 -2.322) 2.865 3.418 ( -0.532 1.839 -1.152) 2.234 3.802 ( 7.589 24.674 1.160) 25.841 5.432 ( 8.171 11.357 0.793) 14.013 6.905 ( 1.665 -0.297 -0.070) 1.693 7.199 ( 1.924 17.169 3.207) 17.572 8.148 ( 3.415 4.997 -1.217) 6.173 8.263 ( -2.405 -7.925 -7.785) 11.366 9.610 ( -15.101 -24.891 4.227) 29.419 13.168 ( -2.399 -3.363 -4.698) 6.256 ======================= Grid point 611 (228/417) ======================= q-point: ( 0.62 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -0.451 6.222 0.503) 6.259 2.464 ( 8.730 6.343 -5.891) 12.294 2.770 ( -0.603 -2.058 -2.473) 3.274 3.411 ( -1.092 -1.388 3.755) 4.149 4.116 ( -0.515 26.175 0.144) 26.180 5.609 ( 4.682 3.314 0.356) 5.747 6.968 ( 6.800 -3.331 0.425) 7.584 7.377 ( -2.497 18.254 3.080) 18.679 8.114 ( -1.368 -4.221 -5.089) 6.751 8.284 ( 3.305 3.389 0.007) 4.734 9.154 ( -16.811 -12.740 -0.608) 21.102 13.121 ( 3.555 -6.553 -0.653) 7.484 ======================= Grid point 612 (229/417) ======================= q-point: ( 0.69 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -3.055 4.648 -0.700) 5.606 2.593 ( 0.957 5.086 -10.550) 11.751 2.768 ( 4.238 0.209 -0.678) 4.297 3.381 ( -0.860 -4.664 6.905) 8.377 4.282 ( -9.602 25.316 -0.438) 27.080 5.677 ( 2.932 -1.864 0.137) 3.477 7.030 ( 6.241 -8.188 -0.269) 10.298 7.480 ( -6.642 15.595 3.308) 17.271 8.092 ( 3.965 -1.086 -3.124) 5.163 8.346 ( 0.883 2.763 2.254) 3.673 8.830 ( -13.044 -0.306 -4.386) 13.765 13.150 ( 7.730 -7.926 1.782) 11.214 ======================= Grid point 613 (230/417) ======================= q-point: (-0.25 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -5.119 2.207 -0.935) 5.653 2.546 ( -7.384 5.490 -7.428) 11.825 2.881 ( 7.409 0.541 -5.182) 9.058 3.349 ( 0.746 -5.820 8.554) 10.373 4.278 ( -17.458 20.950 -0.576) 27.276 5.680 ( 0.641 -3.952 0.208) 4.009 7.014 ( 3.997 -11.541 -0.170) 12.215 7.460 ( -11.854 10.591 3.262) 16.227 8.191 ( 5.999 2.623 -2.782) 7.114 8.442 ( 6.102 5.653 5.092) 9.754 8.658 ( -7.787 3.807 -7.594) 11.524 13.230 ( 9.596 -7.467 2.321) 12.379 ======================= Grid point 614 (231/417) ======================= q-point: (-0.19 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -6.365 0.718 0.102) 6.406 2.424 ( -11.070 5.411 -4.768) 13.212 2.949 ( 2.715 -1.773 -5.530) 6.411 3.371 ( 4.721 -3.465 6.452) 8.714 4.102 ( -22.944 13.621 -0.372) 26.685 5.611 ( -5.059 -3.946 0.503) 6.435 6.969 ( 3.964 -10.374 0.706) 11.128 7.328 ( -14.645 6.588 2.951) 16.327 8.243 ( -3.720 3.238 -0.907) 5.014 8.574 ( 2.899 0.562 -8.332) 8.840 8.752 ( 16.010 9.907 3.373) 19.127 13.337 ( 10.199 -6.013 0.927) 11.876 ======================= Grid point 615 (232/417) ======================= q-point: (-0.12 0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -7.314 0.592 1.914) 7.583 2.252 ( -12.946 3.546 -2.464) 13.647 2.907 ( -3.305 -2.285 -2.654) 4.815 3.466 ( 6.715 -1.279 1.616) 7.024 3.782 ( -25.454 5.906 -0.439) 26.134 5.416 ( -14.645 -3.185 0.866) 15.013 6.962 ( 4.305 -6.352 0.400) 7.683 7.121 ( -15.544 2.117 2.732) 15.924 8.156 ( -7.501 2.204 -0.608) 7.842 8.652 ( 8.745 0.346 -11.302) 14.294 9.212 ( 24.843 8.821 6.925) 27.257 13.455 ( 10.099 -4.756 -2.278) 11.393 ======================= Grid point 623 (233/417) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 0.000 6.306 2.336) 6.725 1.828 ( 0.000 6.657 9.859) 11.896 2.559 ( -0.000 18.419 -1.928) 18.520 2.649 ( 0.000 10.873 3.139) 11.317 3.451 ( -0.000 3.671 -11.044) 11.638 4.480 ( -0.000 35.823 2.169) 35.888 6.501 ( -0.000 7.105 -0.214) 7.108 7.311 ( -0.000 -3.602 -3.119) 4.765 7.961 ( 0.000 -2.052 0.179) 2.060 8.594 ( -0.000 -6.095 -10.741) 12.350 10.611 ( 0.000 -38.953 12.365) 40.868 13.588 ( -0.000 7.335 -14.949) 16.652 ======================= Grid point 624 (234/417) ======================= q-point: ( 0.44 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 4.341 5.135 1.203) 6.831 1.923 ( 1.189 5.218 7.652) 9.338 2.740 ( 0.508 7.470 0.445) 7.500 2.841 ( 11.689 17.109 -1.381) 20.766 3.455 ( -0.021 3.995 -7.816) 8.778 4.847 ( 3.686 30.833 1.254) 31.077 6.627 ( 7.789 6.697 -0.562) 10.287 7.218 ( -6.527 -0.914 -4.155) 7.791 7.969 ( 1.094 1.606 0.883) 2.135 8.493 ( 0.008 -8.717 -8.978) 12.513 10.256 ( -1.729 -38.653 11.697) 40.421 13.559 ( -5.772 5.489 -12.196) 14.567 ======================= Grid point 625 (235/417) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 7.215 5.218 0.326) 8.910 2.022 ( 2.769 4.188 5.525) 7.466 2.785 ( 0.067 1.930 -1.642) 2.535 3.256 ( 15.949 16.458 -2.700) 23.077 3.492 ( 1.843 6.211 -1.858) 6.740 5.188 ( 5.275 22.342 0.563) 22.963 6.887 ( 12.819 9.318 0.134) 15.848 7.078 ( -7.454 0.864 -2.698) 7.974 8.031 ( 2.014 4.994 0.627) 5.422 8.363 ( -1.912 -8.890 -8.190) 12.238 9.885 ( -3.133 -36.224 9.786) 37.654 13.429 ( -10.037 3.001 -9.501) 14.143 ======================= Grid point 626 (236/417) ======================= q-point: ( 0.56 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 3.329 4.077 4.183) 6.724 2.166 ( 8.837 5.494 -1.411) 10.501 2.779 ( -0.330 -0.928 -2.286) 2.489 3.452 ( -0.306 4.364 -2.116) 4.860 3.807 ( 17.011 18.179 1.280) 24.930 5.447 ( 4.498 13.061 0.375) 13.819 6.948 ( -5.685 1.974 -1.063) 6.111 7.242 ( 12.396 12.020 2.133) 17.398 8.136 ( 3.473 6.828 -0.245) 7.665 8.213 ( -3.310 -7.110 -7.442) 10.812 9.518 ( -4.748 -30.445 6.692) 31.532 13.242 ( -10.064 0.017 -6.547) 12.006 ======================= Grid point 627 (237/417) ======================= q-point: ( 0.62 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 2.434 3.760 1.988) 4.900 2.366 ( 8.724 6.127 -3.018) 11.079 2.752 ( -0.361 -1.672 -1.516) 2.286 3.447 ( -2.597 0.680 1.087) 2.896 4.260 ( 12.495 21.158 0.400) 24.576 5.584 ( 1.802 3.953 0.379) 4.361 6.903 ( -0.955 0.059 0.773) 1.230 7.532 ( 5.449 13.732 2.875) 15.051 8.079 ( -2.615 -5.328 -5.824) 8.315 8.269 ( 3.971 6.949 -0.756) 8.040 9.194 ( -5.982 -19.758 2.886) 20.845 13.076 ( -5.315 -3.128 -3.335) 7.011 ======================= Grid point 628 (238/417) ======================= q-point: ( 0.69 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -0.445 3.084 -0.005) 3.116 2.550 ( 7.089 6.627 -5.123) 10.973 2.735 ( 0.348 -0.715 -0.416) 0.897 3.390 ( -3.213 -3.255 3.439) 5.722 4.609 ( 1.897 24.069 -0.202) 24.145 5.599 ( 1.125 -4.848 0.502) 5.002 6.901 ( 1.626 -3.566 0.942) 4.031 7.703 ( -1.459 12.019 3.219) 12.528 8.003 ( 1.703 -3.678 -4.052) 5.731 8.374 ( 1.324 5.226 0.643) 5.430 8.967 ( -6.553 -5.964 -1.252) 8.949 12.996 ( 1.659 -5.364 -0.639) 5.650 ======================= Grid point 629 (239/417) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -3.784 1.995 -0.363) 4.293 2.675 ( -0.670 8.447 -5.900) 10.326 2.759 ( 4.687 -0.434 -2.040) 5.130 3.313 ( -1.445 -6.560 5.879) 8.927 4.750 ( -12.733 22.235 -0.574) 25.629 5.573 ( 4.699 -9.034 0.682) 10.206 6.878 ( 1.234 -6.417 0.632) 6.565 7.719 ( -7.735 5.869 3.121) 10.199 8.066 ( 8.147 0.655 -3.115) 8.747 8.444 ( 1.956 4.247 2.408) 5.259 8.823 ( -8.546 2.524 -3.761) 9.672 13.019 ( 7.126 -5.685 0.400) 9.125 ======================= Grid point 630 (240/417) ======================= q-point: (-0.19 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -5.779 1.510 0.897) 6.040 2.643 ( -8.973 6.640 -3.857) 11.811 2.849 ( 5.616 0.683 -5.904) 8.177 3.279 ( 3.062 -6.383 6.963) 9.930 4.607 ( -22.338 10.963 -0.361) 24.886 5.587 ( 3.486 -4.466 0.546) 5.692 6.844 ( 1.804 -5.060 1.131) 5.490 7.602 ( -11.408 1.742 3.037) 11.933 8.217 ( 8.071 2.248 -3.927) 9.253 8.517 ( 1.793 -2.587 -2.300) 3.899 8.742 ( -2.423 9.005 1.649) 9.470 13.113 ( 9.568 -4.431 -0.653) 10.565 ======================= Grid point 631 (241/417) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -6.714 1.509 2.462) 7.309 2.497 ( -12.533 3.682 -2.376) 13.277 2.900 ( 1.442 1.067 -5.254) 5.552 3.336 ( 6.741 -3.595 4.195) 8.716 4.250 ( -25.497 0.328 -0.012) 25.499 5.563 ( -4.665 -0.429 0.479) 4.709 6.862 ( 3.109 -0.561 0.919) 3.290 7.392 ( -14.546 -1.918 2.822) 14.941 8.287 ( -4.078 1.343 -0.953) 4.398 8.468 ( 5.585 -3.781 -11.095) 12.984 8.970 ( 15.143 6.836 8.276) 18.562 13.237 ( 9.761 -2.888 -3.255) 10.687 ======================= Grid point 640 (242/417) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -0.000 3.886 0.789) 3.966 1.977 ( 0.000 3.459 6.234) 7.129 2.788 ( -0.000 3.186 -2.208) 3.876 2.891 ( -0.000 16.171 -1.112) 16.209 3.479 ( -0.000 5.344 -5.033) 7.341 5.099 ( -0.000 25.668 0.012) 25.668 6.585 ( -0.000 2.201 -2.220) 3.126 7.268 ( -0.000 2.153 -5.868) 6.250 7.995 ( 0.000 4.744 1.794) 5.072 8.387 ( -0.000 -8.250 -5.601) 9.972 9.927 ( 0.000 -38.580 10.453) 39.971 13.629 ( -0.000 5.214 -9.959) 11.242 ======================= Grid point 641 (243/417) ======================= q-point: ( 0.50 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 4.940 3.396 0.291) 6.002 2.035 ( 1.576 2.273 5.244) 5.929 2.793 ( -0.313 0.584 -3.342) 3.407 3.146 ( 12.417 14.288 -1.072) 18.960 3.525 ( 0.320 5.655 -2.007) 6.009 5.330 ( 2.041 18.189 -0.836) 18.322 6.701 ( 12.652 2.088 -1.946) 12.970 7.221 ( -6.724 4.302 -5.010) 9.424 8.071 ( 1.235 7.254 1.754) 7.565 8.291 ( -1.169 -6.741 -3.899) 7.874 9.586 ( -0.577 -36.460 8.556) 37.455 13.587 ( -6.978 4.086 -8.082) 11.433 ======================= Grid point 642 (244/417) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 8.269 3.276 -0.793) 8.930 2.114 ( 3.518 2.098 5.293) 6.693 2.773 ( -0.686 -0.564 -2.769) 2.908 3.479 ( 5.539 8.429 -2.451) 10.379 3.649 ( 14.153 8.800 1.265) 16.714 5.512 ( 2.707 11.262 -0.724) 11.605 7.020 ( 18.872 5.257 -1.980) 19.691 7.118 ( -7.183 4.458 -1.262) 8.547 8.176 ( 0.792 7.228 1.775) 7.485 8.188 ( -2.334 -3.660 -4.584) 6.313 9.268 ( -0.238 -31.913 6.571) 32.584 13.431 ( -12.076 2.526 -6.377) 13.888 ======================= Grid point 643 (245/417) ======================= q-point: ( 0.62 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 4.988 1.200 1.023) 5.231 2.265 ( 8.881 4.508 1.891) 10.137 2.746 ( -0.925 -0.771 -1.375) 1.828 3.511 ( -2.980 2.395 -0.904) 3.929 4.109 ( 22.982 11.930 0.517) 25.899 5.622 ( 0.365 5.452 -0.197) 5.467 6.994 ( -7.650 2.876 -0.455) 8.186 7.442 ( 18.413 7.816 0.268) 20.005 8.077 ( -4.018 -3.094 -3.437) 6.126 8.287 ( 2.315 7.778 -0.432) 8.127 9.019 ( 1.377 -23.926 4.996) 24.480 13.213 ( -12.802 0.767 -4.340) 13.540 ======================= Grid point 644 (246/417) ======================= q-point: ( 0.69 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 3.390 0.861 0.491) 3.532 2.469 ( 8.742 5.424 0.066) 10.289 2.724 ( -0.301 -0.631 0.059) 0.701 3.447 ( -5.056 -1.057 -0.264) 5.172 4.603 ( 20.268 13.181 0.211) 24.179 5.607 ( -5.115 -0.976 -0.003) 5.208 6.909 ( -4.135 -0.247 0.535) 4.177 7.750 ( 8.967 7.480 0.639) 11.695 7.973 ( -3.888 -2.558 -2.394) 5.234 8.398 ( 2.447 6.102 -1.051) 6.657 8.900 ( 3.859 -12.045 2.907) 12.978 13.018 ( -8.342 -0.791 -1.967) 8.607 ======================= Grid point 645 (247/417) ======================= q-point: ( 0.75 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.208 0.845 -0.046) 0.872 2.648 ( 6.010 5.128 -1.711) 8.083 2.737 ( 1.994 1.107 0.754) 2.402 3.327 ( -5.609 -4.478 0.714) 7.213 5.022 ( 10.573 17.196 -0.135) 20.187 5.437 ( -7.026 -10.873 0.209) 12.947 6.847 ( -1.918 -2.387 0.297) 3.076 7.871 ( -5.605 1.277 1.558) 5.956 7.935 ( 7.236 1.690 -1.885) 7.666 8.461 ( 0.406 2.315 0.201) 2.359 8.899 ( 1.161 -1.127 -0.112) 1.621 12.925 ( -0.868 -1.267 -0.308) 1.566 ======================= Grid point 646 (248/417) ======================= q-point: (-0.19 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -3.264 0.955 0.922) 3.524 2.734 ( 2.661 -0.349 -1.634) 3.142 2.819 ( 0.513 8.744 -3.179) 9.318 3.204 ( -1.479 -7.516 3.456) 8.403 5.039 ( -20.831 1.142 -0.367) 20.866 5.413 ( 12.974 -1.310 0.463) 13.049 6.812 ( -0.124 -0.585 0.701) 0.922 7.762 ( -7.125 -2.393 1.593) 7.683 8.080 ( 7.805 2.698 -2.222) 8.552 8.464 ( 0.173 -2.979 -0.660) 3.056 8.886 ( -3.717 3.690 0.733) 5.288 12.957 ( 5.211 -0.219 -0.566) 5.246 ======================= Grid point 647 (249/417) ======================= q-point: (-0.12 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -5.269 0.518 2.070) 5.685 2.700 ( -7.317 1.179 -0.469) 7.426 2.880 ( 0.687 6.742 -7.787) 10.323 3.196 ( 6.227 -6.119 5.944) 10.561 4.615 ( -22.507 -10.194 -0.034) 24.708 5.580 ( 3.776 3.699 0.256) 5.293 6.850 ( 1.892 4.929 1.261) 5.428 7.579 ( -11.043 -5.797 2.003) 12.632 8.228 ( 8.246 1.776 -4.694) 9.653 8.389 ( -2.641 -6.742 -2.924) 7.809 8.901 ( 2.137 2.707 4.931) 6.018 13.071 ( 7.562 1.441 -2.401) 8.064 ======================= Grid point 657 (250/417) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -0.000 2.412 0.374) 2.441 2.051 ( 0.000 0.892 4.948) 5.027 2.785 ( -0.000 -0.219 -3.452) 3.459 3.157 ( -0.000 11.488 -0.580) 11.503 3.572 ( -0.000 5.263 -1.245) 5.409 5.454 ( -0.000 11.960 -1.785) 12.092 6.578 ( -0.000 -0.706 -1.991) 2.112 7.323 ( -0.000 6.952 -4.995) 8.560 8.137 ( -0.000 7.601 1.486) 7.745 8.246 ( 0.000 -3.701 -0.614) 3.751 9.269 ( 0.000 -34.088 6.243) 34.655 13.665 ( -0.000 3.959 -6.687) 7.771 ======================= Grid point 658 (251/417) ======================= q-point: ( 0.56 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 5.300 1.974 0.082) 5.657 2.093 ( 2.304 0.510 5.885) 6.341 2.771 ( -0.377 -0.121 -2.346) 2.380 3.369 ( 12.785 9.113 -0.662) 15.715 3.612 ( 0.217 3.612 -0.630) 3.673 5.557 ( 1.933 7.149 -1.399) 7.537 6.710 ( 16.370 0.574 -1.211) 16.424 7.315 ( -7.562 7.199 -2.304) 10.692 8.195 ( -2.173 -0.719 -1.078) 2.530 8.235 ( 1.324 6.542 1.500) 6.841 8.979 ( 0.693 -29.413 4.142) 29.711 13.614 ( -7.703 3.240 -5.601) 10.059 ======================= Grid point 659 (252/417) ======================= q-point: ( 0.62 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 7.438 1.096 -0.805) 7.561 2.184 ( 5.637 1.124 6.986) 9.047 2.757 ( -0.900 0.474 -0.882) 1.347 3.574 ( -1.186 3.209 -2.198) 4.066 3.798 ( 21.776 5.189 0.681) 22.396 5.647 ( 2.178 4.111 -0.457) 4.675 7.080 ( 20.712 2.834 -2.984) 21.117 7.220 ( -6.457 5.092 2.130) 8.494 8.127 ( -4.343 -0.224 -1.185) 4.508 8.327 ( 1.285 6.125 -0.067) 6.259 8.767 ( 2.885 -21.955 3.618) 22.438 13.445 ( -13.174 2.469 -4.325) 14.084 ======================= Grid point 660 (253/417) ======================= q-point: ( 0.69 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 5.445 -0.567 -0.044) 5.474 2.357 ( 9.797 2.362 5.177) 11.330 2.743 ( -1.528 0.999 0.461) 1.883 3.523 ( -4.812 -0.074 -2.627) 5.483 4.269 ( 26.796 4.042 0.408) 27.102 5.682 ( -1.990 1.389 -0.175) 2.433 7.033 ( -9.829 0.900 -0.270) 9.874 7.549 ( 20.309 2.997 -1.122) 20.559 8.047 ( -5.074 1.307 -0.098) 5.241 8.406 ( 2.460 5.424 -1.899) 6.251 8.685 ( 6.339 -13.303 4.705) 15.469 13.218 ( -14.171 2.021 -2.410) 14.516 ======================= Grid point 661 (254/417) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 4.239 -1.368 -0.567) 4.490 2.570 ( 10.187 3.047 4.316) 11.475 2.729 ( -1.390 0.922 1.259) 2.090 3.403 ( -6.912 -2.070 -3.332) 7.948 4.740 ( 25.615 0.013 0.406) 25.619 5.584 ( -9.979 -0.300 -0.482) 9.996 6.891 ( -5.927 -1.451 -0.648) 6.137 7.784 ( 8.366 -3.348 -3.347) 9.613 8.003 ( -3.840 5.732 3.186) 7.600 8.480 ( 0.179 3.176 -1.172) 3.390 8.759 ( 10.864 -4.662 2.459) 12.075 13.026 ( -9.873 2.338 -0.266) 10.149 ======================= Grid point 662 (255/417) ======================= q-point: (-0.19 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 2.046 -1.702 -0.836) 2.790 2.720 ( -0.645 2.489 1.156) 2.819 2.784 ( 9.526 1.757 3.894) 10.440 3.239 ( -7.908 -3.018 -3.619) 9.205 5.035 ( 11.613 -17.199 0.448) 20.757 5.418 ( -7.924 10.372 -0.583) 13.065 6.819 ( -0.995 0.051 -0.870) 1.323 7.781 ( -0.041 -6.997 -2.192) 7.333 8.055 ( 0.347 6.967 3.075) 7.623 8.458 ( -2.542 -2.330 0.469) 3.480 8.893 ( 5.120 0.154 -0.661) 5.165 12.950 ( -2.489 3.738 0.741) 4.552 ======================= Grid point 663 (256/417) ======================= q-point: (-0.12 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -1.379 -2.389 -0.000) 2.759 2.742 ( 0.846 1.464 -0.000) 1.691 2.958 ( 3.631 6.290 -0.000) 7.263 3.080 ( -3.136 -5.431 0.000) 6.271 4.765 ( -12.827 -22.217 -0.000) 25.654 5.556 ( 5.247 9.087 -0.000) 10.493 6.867 ( 3.481 6.029 -0.000) 6.962 7.651 ( -5.597 -9.695 -0.000) 11.195 8.146 ( 2.807 4.862 -0.000) 5.614 8.367 ( -3.220 -5.577 0.000) 6.439 8.916 ( -0.773 -1.338 -0.000) 1.545 13.009 ( 3.209 5.559 0.000) 6.419 ======================= Grid point 675 (257/417) ======================= q-point: ( 0.56 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.000 1.216 0.551) 1.335 2.095 ( 0.000 -0.095 7.385) 7.385 2.771 ( -0.000 0.754 -1.040) 1.285 3.324 ( -0.000 5.908 -0.218) 5.912 3.642 ( -0.000 2.418 -1.314) 2.752 5.590 ( -0.000 4.341 -0.527) 4.373 6.559 ( 0.000 -0.167 0.087) 0.188 7.455 ( -0.000 7.688 -0.247) 7.692 8.231 ( 0.000 1.570 0.749) 1.740 8.268 ( -0.000 4.693 -0.266) 4.700 8.716 ( 0.000 -24.253 1.257) 24.286 13.695 ( -0.000 2.917 -5.020) 5.806 ======================= Grid point 676 (258/417) ======================= q-point: ( 0.62 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 5.132 0.628 0.295) 5.179 2.141 ( 2.733 -0.508 8.807) 9.235 2.779 ( -0.503 1.960 0.581) 2.105 3.488 ( 13.432 3.461 -0.447) 13.878 3.644 ( -0.471 0.331 -1.758) 1.850 5.642 ( 1.826 2.784 0.679) 3.398 6.722 ( 17.929 1.012 0.535) 17.966 7.444 ( -9.149 5.198 2.592) 10.837 8.199 ( -3.972 0.823 -0.912) 4.157 8.349 ( 2.949 4.720 -0.357) 5.577 8.537 ( 2.291 -16.216 0.203) 16.378 13.638 ( -7.778 2.458 -4.342) 9.240 ======================= Grid point 677 (259/417) ======================= q-point: (-0.31 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 6.281 -0.709 -0.311) 6.328 2.240 ( 6.907 -0.906 8.384) 10.901 2.792 ( -1.455 2.968 2.185) 3.962 3.581 ( -3.256 -0.342 -3.869) 5.068 3.849 ( 23.835 -0.411 0.543) 23.844 5.694 ( 1.294 0.865 0.750) 1.728 7.095 ( 18.584 0.573 -2.522) 18.763 7.307 ( -6.418 0.586 4.191) 7.687 8.140 ( -3.515 1.822 0.037) 3.960 8.426 ( 0.560 6.118 -1.874) 6.423 8.490 ( 5.719 -8.740 2.391) 10.715 13.470 ( -12.967 2.452 -2.944) 13.521 ======================= Grid point 678 (260/417) ======================= q-point: (-0.25 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 5.010 -2.555 -0.621) 5.658 2.408 ( 11.012 -1.319 6.395) 12.803 2.798 ( -2.650 3.396 3.451) 5.519 3.480 ( -5.608 -1.469 -5.006) 7.659 4.267 ( 26.928 -4.502 0.408) 27.304 5.683 ( -2.842 -1.243 -0.128) 3.104 7.020 ( -11.105 -1.670 -0.712) 11.252 7.519 ( 17.322 -4.732 -2.568) 18.139 8.130 ( -2.667 5.605 3.419) 7.087 8.512 ( 0.660 0.003 1.529) 1.666 8.545 ( 9.023 3.271 -0.110) 9.598 13.260 ( -13.625 3.275 -0.701) 14.031 ======================= Grid point 679 (261/417) ======================= q-point: (-0.19 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 4.627 -3.563 -1.703) 6.083 2.601 ( 11.569 -3.657 4.879) 13.078 2.798 ( -2.523 4.146 4.544) 6.648 3.341 ( -7.336 -0.608 -5.837) 9.394 4.603 ( 20.710 -13.674 0.303) 24.819 5.593 ( -5.618 0.709 -0.593) 5.693 6.857 ( -5.145 -0.781 -1.549) 5.429 7.635 ( 6.695 -9.086 -3.714) 11.882 8.172 ( -2.186 7.840 5.366) 9.749 8.486 ( -2.142 -4.095 3.692) 5.915 8.769 ( 9.223 7.100 -3.607) 12.185 13.103 ( -9.251 5.090 1.510) 10.666 ======================= Grid point 692 (262/417) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.000 0.012 0.854) 0.854 2.139 ( 0.000 -1.580 9.933) 10.058 2.816 ( 0.000 3.510 2.660) 4.404 3.383 ( -0.000 0.205 0.006) 0.205 3.644 ( -0.000 -0.681 -2.963) 3.041 5.654 ( 0.000 1.724 2.142) 2.750 6.580 ( 0.000 1.466 2.381) 2.796 7.589 ( 0.000 3.277 5.924) 6.770 8.242 ( -0.000 -3.993 -2.367) 4.642 8.297 ( -0.000 -1.094 -2.117) 2.383 8.444 ( -0.000 1.336 -1.020) 1.681 13.712 ( -0.000 2.032 -4.351) 4.802 ======================= Grid point 693 (263/417) ======================= q-point: (-0.31 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 4.534 -0.856 0.471) 4.638 2.169 ( 2.651 -3.159 9.245) 10.124 2.860 ( -0.908 4.353 4.630) 6.420 3.496 ( 14.154 -2.488 -0.204) 14.372 3.607 ( -1.421 -1.942 -3.722) 4.433 5.679 ( 1.051 -0.549 2.011) 2.335 6.753 ( 16.583 1.201 1.901) 16.734 7.511 ( -11.467 -2.010 5.240) 12.767 8.189 ( -1.011 0.966 -0.739) 1.582 8.324 ( 5.699 -5.568 -0.640) 7.993 8.506 ( -0.286 11.721 -2.072) 11.906 13.655 ( -7.231 2.049 -3.692) 8.373 ======================= Grid point 694 (264/417) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 4.808 -2.752 -0.368) 5.552 2.242 ( 7.592 -4.210 7.127) 11.232 2.891 ( -2.214 3.738 5.728) 7.189 3.527 ( -3.623 -1.386 -5.343) 6.602 3.784 ( 23.271 -6.699 0.439) 24.220 5.675 ( 0.315 -4.108 0.583) 4.161 7.075 ( 16.065 -1.349 -1.284) 16.172 7.273 ( -9.237 -5.583 1.771) 10.937 8.196 ( 0.189 1.045 0.606) 1.223 8.395 ( 5.416 -1.415 6.707) 8.736 8.630 ( -0.191 16.650 -4.216) 17.177 13.505 ( -11.627 2.920 -1.889) 12.135 ======================= Grid point 695 (265/417) ======================= q-point: (-0.19 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 4.351 -4.483 -1.364) 6.395 2.377 ( 10.985 -5.682 4.863) 13.289 2.894 ( -2.775 2.180 5.649) 6.661 3.428 ( -5.277 0.607 -5.421) 7.590 4.099 ( 23.361 -12.923 0.225) 26.698 5.615 ( -0.799 -6.162 -0.488) 6.233 6.977 ( -10.629 -1.673 -0.942) 10.801 7.358 ( 13.584 -9.447 -3.245) 16.861 8.231 ( 3.298 -0.301 1.552) 3.657 8.475 ( 0.122 0.298 10.765) 10.770 8.804 ( 1.271 19.981 -6.148) 20.944 13.338 ( -11.629 4.738 0.796) 12.582 ======================= Grid point 709 (266/417) ======================= q-point: (-0.31 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.000 -1.456 0.916) 1.720 2.138 ( 0.000 -5.043 8.401) 9.798 2.929 ( 0.000 4.133 6.493) 7.696 3.332 ( 0.000 -5.463 0.111) 5.464 3.589 ( -0.000 -1.860 -4.404) 4.781 5.657 ( 0.000 -3.895 1.884) 4.326 6.637 ( 0.000 2.081 3.411) 3.996 7.599 ( 0.000 -6.737 5.249) 8.540 8.205 ( -0.000 -6.151 -2.968) 6.830 8.229 ( 0.000 6.795 2.780) 7.342 8.643 ( -0.000 17.273 -2.936) 17.520 13.723 ( -0.000 1.966 -3.992) 4.450 ======================= Grid point 710 (267/417) ======================= q-point: (-0.25 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 3.485 -2.721 0.298) 4.431 2.125 ( 2.833 -6.669 6.616) 9.812 2.969 ( -1.285 1.467 6.518) 6.804 3.388 ( 13.941 -8.556 -0.008) 16.357 3.548 ( -1.711 -0.405 -4.022) 4.390 5.605 ( 0.616 -8.892 0.437) 8.924 6.782 ( 13.074 -0.077 1.883) 13.210 7.429 ( -11.038 -7.344 1.385) 13.331 8.142 ( 1.335 -6.669 -2.591) 7.278 8.382 ( 4.175 9.799 9.610) 14.346 8.818 ( -0.818 22.425 -4.042) 22.801 13.677 ( -6.250 2.692 -3.131) 7.491 ======================= Grid point 711 (268/417) ======================= q-point: (-0.19 -0.31 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 3.288 -5.028 -0.758) 6.056 2.166 ( 8.019 -7.351 4.509) 11.776 2.953 ( -1.989 -2.387 4.634) 5.579 3.500 ( -2.611 2.116 -3.748) 5.034 3.596 ( 20.230 -12.431 0.951) 23.763 5.511 ( 1.447 -13.352 -0.752) 13.452 7.008 ( 14.889 -5.746 -1.315) 16.013 7.162 ( -12.427 -4.547 -0.594) 13.246 8.118 ( 4.223 -5.870 -0.790) 7.274 8.562 ( 0.971 8.885 12.240) 15.156 9.022 ( -1.735 26.345 -4.815) 26.837 13.565 ( -9.635 4.297 -0.868) 10.585 ======================= Grid point 726 (269/417) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.000 -3.359 0.620) 3.416 2.047 ( 0.000 -8.734 5.111) 10.119 2.991 ( 0.000 -3.444 4.779) 5.891 3.172 ( 0.000 -10.958 0.063) 10.958 3.562 ( -0.000 2.434 -1.901) 3.088 5.482 ( 0.000 -15.297 -0.635) 15.311 6.680 ( 0.000 -0.276 2.205) 2.222 7.449 ( 0.000 -8.422 -0.607) 8.444 8.053 ( -0.000 -6.758 -1.958) 7.036 8.498 ( 0.000 13.477 11.538) 17.741 9.058 ( -0.000 27.597 -3.219) 27.784 13.746 ( -0.000 3.135 -3.524) 4.717 ======================= Grid point 727 (270/417) ======================= q-point: (-0.19 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 1.903 -5.335 -0.130) 5.666 1.997 ( 3.879 -9.678 3.533) 11.009 2.936 ( -0.737 -7.989 1.953) 8.257 3.166 ( 12.729 -14.044 -0.189) 18.955 3.583 ( -1.619 5.030 0.617) 5.320 5.311 ( 1.605 -21.369 -1.514) 21.483 6.747 ( 8.628 -4.718 -0.057) 9.834 7.298 ( -8.099 -4.969 -1.720) 9.656 8.008 ( 2.072 -4.656 -0.643) 5.136 8.681 ( 1.293 11.902 11.592) 16.665 9.324 ( -1.792 31.341 -1.986) 31.455 13.727 ( -5.026 4.335 -2.434) 7.069 ======================= Grid point 743 (271/417) ======================= q-point: (-0.19 -0.19 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 0.000 -5.941 0.092) 5.942 1.864 ( 0.000 -12.436 1.982) 12.593 2.844 ( 0.000 -12.081 -0.198) 12.083 2.913 ( 0.000 -15.487 -0.212) 15.488 3.655 ( 0.000 5.644 2.480) 6.165 5.044 ( 0.000 -28.759 -2.161) 28.840 6.628 ( 0.000 -5.956 -0.542) 5.980 7.313 ( -0.000 -3.518 -3.212) 4.764 7.961 ( 0.000 -1.486 0.474) 1.560 8.822 ( 0.000 11.441 10.297) 15.392 9.663 ( -0.000 34.740 0.839) 34.750 13.803 ( -0.000 4.875 -2.954) 5.700 ======================= Grid point 830 (272/417) ======================= q-point: ( 0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 0.000 -0.000 19.642) 19.642 0.602 ( 0.000 -0.000 19.642) 19.642 1.246 ( 0.000 -0.000 41.775) 41.775 1.852 ( -0.000 0.000 -4.222) 4.222 1.852 ( -0.000 0.000 -4.222) 4.222 4.478 ( -0.000 0.000 -13.659) 13.659 6.039 ( 0.000 -0.000 3.061) 3.061 6.039 ( 0.000 -0.000 3.061) 3.061 8.344 ( -0.000 0.000 -2.168) 2.168 8.344 ( -0.000 0.000 -2.168) 2.168 12.371 ( 0.000 -0.000 1.514) 1.514 12.839 ( -0.000 0.000 -0.759) 0.759 ======================= Grid point 831 (273/417) ======================= q-point: ( 0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 13.211 7.627 15.258) 21.575 0.998 ( 15.767 9.103 18.078) 25.657 1.556 ( 17.304 9.991 30.829) 36.738 1.858 ( 2.567 1.482 -4.895) 5.723 2.022 ( 16.645 9.610 -4.403) 19.717 4.011 ( -15.049 -8.689 -2.621) 17.574 6.071 ( 2.054 1.186 3.016) 3.837 7.282 ( 57.729 33.330 -27.770) 72.213 8.209 ( -6.421 -3.707 -5.663) 9.330 8.312 ( -2.476 -1.430 -2.113) 3.556 12.293 ( -10.127 -5.847 5.099) 12.757 13.031 ( 15.005 8.663 -18.261) 25.173 ======================= Grid point 832 (274/417) ======================= q-point: ( 0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 15.859 9.156 10.503) 21.110 1.296 ( 7.682 4.435 19.183) 21.134 1.944 ( 6.929 4.001 -5.228) 9.558 2.031 ( 16.201 9.354 13.639) 23.152 2.626 ( 35.679 20.599 -1.364) 41.221 3.797 ( -4.743 -2.739 -6.414) 8.434 6.150 ( 4.152 2.397 2.601) 5.455 7.626 ( -11.698 -6.754 -1.699) 13.614 8.227 ( -4.275 -2.468 -1.901) 5.290 8.458 ( 25.340 14.630 -21.115) 36.084 11.980 ( -18.952 -10.942 10.700) 24.360 13.232 ( 8.469 4.890 -26.280) 28.041 ======================= Grid point 833 (275/417) ======================= q-point: ( 0.38 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 8.640 4.988 13.257) 16.592 1.535 ( 10.921 6.305 6.324) 14.107 2.158 ( 13.650 7.881 -3.889) 16.235 2.401 ( 13.854 7.999 9.045) 18.377 3.371 ( 22.863 13.200 -10.282) 28.332 3.794 ( 12.372 7.143 0.261) 14.288 6.270 ( 5.769 3.331 1.797) 6.900 7.313 ( -12.782 -7.380 -1.968) 14.890 8.122 ( -4.230 -2.442 -1.424) 5.088 8.788 ( 8.493 4.903 -13.595) 16.763 11.536 ( -24.119 -13.925 13.518) 30.957 13.267 ( 2.820 1.628 -22.984) 23.214 ======================= Grid point 834 (276/417) ======================= q-point: ( 0.44 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 6.115 3.531 2.477) 7.483 1.777 ( 10.972 6.335 6.973) 14.461 2.504 ( 16.892 9.753 -1.666) 19.576 2.702 ( 10.355 5.978 6.641) 13.677 3.473 ( -0.073 -0.042 -13.410) 13.410 4.406 ( 30.632 17.685 3.304) 35.524 6.409 ( 5.950 3.435 0.536) 6.891 7.093 ( -5.603 -3.235 -2.540) 6.950 8.046 ( -1.927 -1.113 -0.505) 2.282 8.784 ( -4.077 -2.354 -11.019) 11.983 10.974 ( -29.747 -17.174 10.920) 36.043 13.256 ( 2.202 1.271 -14.262) 14.487 ======================= Grid point 835 (277/417) ======================= q-point: ( 0.50 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 4.064 2.346 0.514) 4.721 2.057 ( 12.518 7.227 1.636) 14.547 2.863 ( 14.801 8.545 -0.663) 17.104 2.886 ( 4.460 2.575 0.995) 5.245 3.433 ( 0.108 0.062 -6.667) 6.668 5.017 ( 22.328 12.891 1.366) 25.818 6.526 ( 4.445 2.566 -1.127) 5.255 7.066 ( 4.041 2.333 -2.163) 5.143 8.043 ( 1.613 0.931 0.875) 2.058 8.594 ( -8.699 -5.022 -9.062) 13.528 10.275 ( -34.415 -19.870 4.840) 40.033 13.288 ( 3.377 1.950 -4.904) 6.265 ======================= Grid point 836 (278/417) ======================= q-point: ( 0.56 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 2.719 1.570 -0.423) 3.168 2.340 ( 12.739 7.355 -3.586) 15.140 2.904 ( -1.623 -0.937 -6.164) 6.443 3.146 ( 10.376 5.991 -0.290) 11.985 3.444 ( 1.108 0.640 2.547) 2.850 5.411 ( 13.189 7.615 -0.439) 15.236 6.600 ( 2.770 1.599 -2.648) 4.152 7.247 ( 11.956 6.903 -1.907) 13.936 8.112 ( 3.566 2.059 2.228) 4.682 8.385 ( -7.092 -4.095 -5.673) 9.962 9.497 ( -34.564 -19.955 -0.021) 39.911 13.366 ( 3.756 2.168 1.488) 4.585 ======================= Grid point 837 (279/417) ======================= q-point: ( 0.62 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 1.402 0.810 -0.897) 1.851 2.577 ( 8.754 5.054 -12.529) 16.098 2.822 ( -1.862 -1.075 -4.012) 4.551 3.321 ( 5.294 3.056 -0.121) 6.114 3.474 ( -0.167 -0.096 7.108) 7.110 5.631 ( 7.118 4.110 -1.854) 8.426 6.642 ( 2.052 1.185 -3.454) 4.189 7.550 ( 14.970 8.643 -3.615) 17.660 8.191 ( 2.209 1.275 3.012) 3.947 8.260 ( -3.053 -1.763 -1.553) 3.853 8.779 ( -27.727 -16.008 -1.254) 32.041 13.455 ( 3.145 1.816 4.919) 6.114 ======================= Grid point 838 (280/417) ======================= q-point: (-0.31 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.008 0.005 -1.080) 1.080 2.537 ( -5.409 -3.123 -15.551) 16.758 2.917 ( 8.523 4.921 -3.614) 10.484 3.383 ( 0.231 0.133 -0.020) 0.268 3.475 ( -1.967 -1.136 8.772) 9.061 5.723 ( 1.589 0.917 -2.027) 2.734 6.674 ( 1.812 1.046 -3.437) 4.024 7.829 ( 6.935 4.004 -8.559) 11.721 8.164 ( -5.215 -3.011 2.215) 6.416 8.212 ( -1.393 -0.804 3.096) 3.489 8.407 ( -0.817 -0.472 0.925) 1.321 13.536 ( 2.408 1.390 6.574) 7.138 ======================= Grid point 839 (281/417) ======================= q-point: (-0.25 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -1.477 -0.853 -1.015) 1.985 2.335 ( -8.218 -4.745 -11.372) 14.811 3.060 ( 4.240 2.448 -6.833) 8.406 3.332 ( -4.741 -2.737 0.067) 5.475 3.466 ( -0.319 -0.184 8.499) 8.507 5.682 ( -5.125 -2.959 -0.628) 5.951 6.699 ( 1.129 0.652 -2.669) 2.971 7.665 ( -11.829 -6.830 -1.187) 13.711 8.149 ( -4.743 -2.738 2.486) 6.014 8.328 ( 13.542 7.818 -6.141) 16.799 8.593 ( 14.997 8.658 1.100) 17.352 13.611 ( 2.490 1.438 7.097) 7.658 ======================= Grid point 840 (282/417) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -3.118 -1.800 -0.711) 3.670 2.106 ( -9.510 -5.490 -6.965) 13.003 3.029 ( -5.111 -2.951 -3.177) 6.702 3.172 ( -9.525 -5.499 0.157) 11.000 3.540 ( 4.721 2.725 2.697) 6.081 5.474 ( -13.997 -8.081 1.106) 16.201 6.697 ( -1.091 -0.630 -1.215) 1.750 7.434 ( -8.436 -4.871 2.351) 10.021 8.037 ( -5.086 -2.936 1.181) 5.990 8.598 ( 12.409 7.164 -8.400) 16.609 9.047 ( 24.737 14.282 -1.688) 28.614 13.699 ( 3.507 2.025 6.191) 7.398 ======================= Grid point 847 (283/417) ======================= q-point: ( 0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 15.028 14.787) 21.084 1.043 ( 0.000 21.654 16.701) 27.346 1.649 ( 0.000 15.389 32.340) 35.815 1.871 ( -0.000 4.421 -4.952) 6.638 1.975 ( -0.000 17.828 -5.076) 18.537 3.999 ( -0.000 -17.272 -4.669) 17.892 6.091 ( 0.000 3.053 3.209) 4.430 7.168 ( -0.000 63.424 -22.980) 67.459 8.235 ( -0.000 -4.770 -5.826) 7.530 8.287 ( -0.000 -3.836 -2.350) 4.499 12.296 ( 0.000 -13.041 5.019) 13.974 12.989 ( -0.000 16.246 -15.710) 22.599 ======================= Grid point 848 (284/417) ======================= q-point: ( 0.31 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 7.566 16.324 11.748) 21.488 1.323 ( 4.413 10.278 18.599) 21.703 1.916 ( 2.265 8.125 -4.260) 9.450 1.975 ( 8.851 13.246 15.863) 22.482 2.387 ( 20.405 31.211 -0.991) 37.302 3.814 ( -3.948 -6.101 -7.073) 10.140 6.149 ( 1.462 4.749 3.014) 5.811 7.646 ( 3.052 2.077 -4.189) 5.583 8.192 ( 1.738 2.558 -8.165) 8.731 8.296 ( 6.618 14.027 -13.786) 20.751 12.080 ( -8.004 -20.684 9.179) 24.003 13.134 ( 4.229 13.899 -23.326) 27.481 ======================= Grid point 849 (285/417) ======================= q-point: ( 0.38 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 8.233 11.873 8.182) 16.604 1.525 ( 4.143 7.297 15.408) 17.545 2.082 ( 7.405 13.862 -4.397) 16.319 2.309 ( 11.375 11.065 10.263) 18.898 3.097 ( 25.443 25.898 -5.285) 36.688 3.738 ( 1.823 3.598 -4.910) 6.354 6.253 ( 3.206 6.653 2.648) 7.846 7.434 ( -11.945 -10.838 -0.880) 16.153 8.137 ( -1.927 -4.608 -2.009) 5.383 8.633 ( 12.048 11.864 -15.359) 22.843 11.713 ( -13.745 -23.852 12.599) 30.275 13.208 ( 0.817 8.732 -23.719) 25.288 ======================= Grid point 850 (286/417) ======================= q-point: ( 0.44 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 4.708 7.497 3.743) 9.612 1.723 ( 6.602 7.261 9.895) 13.936 2.397 ( 11.611 17.593 -1.513) 21.134 2.624 ( 10.405 9.436 7.581) 15.961 3.412 ( 3.112 2.291 -14.909) 15.402 4.137 ( 25.313 23.501 3.711) 34.739 6.396 ( 3.632 8.668 1.991) 9.607 7.157 ( -8.698 -7.011 -1.721) 11.304 8.061 ( -1.804 -2.462 -1.390) 3.354 8.747 ( 1.381 -1.455 -11.610) 11.782 11.232 ( -20.283 -25.114 11.645) 34.318 13.209 ( 0.184 4.985 -17.113) 17.825 ======================= Grid point 851 (287/417) ======================= q-point: ( 0.50 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 2.575 5.992 1.299) 6.650 1.954 ( 9.312 7.722 4.232) 12.816 2.736 ( 10.050 9.965 1.299) 14.212 2.885 ( 6.763 13.169 1.528) 14.883 3.401 ( 0.923 0.974 -9.650) 9.743 4.789 ( 23.352 19.235 2.268) 30.339 6.541 ( 1.847 10.159 0.827) 10.359 7.024 ( -0.449 -2.447 -1.461) 2.885 8.037 ( 0.550 0.637 -0.357) 0.914 8.624 ( -5.339 -6.962 -9.943) 13.260 10.610 ( -27.992 -24.828 6.118) 37.913 13.226 ( 2.892 1.898 -7.629) 8.377 ======================= Grid point 852 (288/417) ======================= q-point: ( 0.56 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 1.183 5.487 0.031) 5.613 2.204 ( 10.764 7.525 -1.236) 13.192 2.865 ( 1.970 -1.492 -2.851) 3.773 3.148 ( 4.898 18.360 -1.699) 19.078 3.430 ( 2.335 2.169 0.063) 3.187 5.270 ( 14.908 12.116 0.748) 19.225 6.652 ( -1.156 11.334 -0.669) 11.412 7.090 ( 9.267 0.860 -0.991) 9.359 8.088 ( 2.874 2.935 1.091) 4.250 8.424 ( -5.884 -6.723 -7.290) 11.531 9.871 ( -32.806 -22.116 0.430) 39.567 13.292 ( 5.461 -0.743 -0.180) 5.514 ======================= Grid point 853 (289/417) ======================= q-point: ( 0.62 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -0.187 4.960 -0.639) 5.005 2.437 ( 9.814 6.182 -8.355) 14.294 2.820 ( -1.675 -2.592 -4.852) 5.751 3.355 ( 1.659 12.741 -0.086) 12.849 3.499 ( 0.641 4.176 4.828) 6.416 5.548 ( 8.137 6.643 -0.852) 10.539 6.722 ( -3.672 12.648 -1.860) 13.301 7.313 ( 15.551 0.648 -1.591) 15.645 8.162 ( 1.790 0.379 1.659) 2.470 8.293 ( -1.675 -1.168 -2.921) 3.564 9.130 ( -31.344 -15.914 -2.275) 35.227 13.384 ( 6.359 -2.605 3.970) 7.936 ======================= Grid point 854 (290/417) ======================= q-point: ( 0.69 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -1.580 4.139 -0.962) 4.534 2.522 ( -0.606 0.197 -16.042) 16.055 2.821 ( 5.490 2.033 -1.354) 6.009 3.450 ( -0.752 4.475 3.814) 5.927 3.547 ( -3.898 7.762 3.371) 9.317 5.687 ( 3.745 2.835 -1.926) 5.076 6.767 ( -5.094 13.327 -2.349) 14.459 7.561 ( 15.392 -5.304 -4.063) 16.779 8.159 ( 0.377 -2.585 1.255) 2.898 8.318 ( 1.123 4.256 1.307) 4.592 8.563 ( -20.963 -4.598 -1.633) 21.523 13.474 ( 6.024 -3.578 5.821) 9.109 ======================= Grid point 855 (291/417) ======================= q-point: (-0.25 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -2.914 2.913 -0.992) 4.238 2.386 ( -6.752 -2.374 -12.598) 14.490 2.962 ( 7.357 2.727 -5.771) 9.740 3.459 ( -3.108 1.828 5.749) 6.786 3.530 ( -7.347 6.604 2.312) 10.146 5.714 ( -1.349 -0.627 -1.508) 2.118 6.795 ( -5.768 12.532 -2.201) 13.970 7.603 ( 2.994 -16.217 -3.493) 16.856 8.175 ( 1.242 1.006 0.937) 1.852 8.344 ( -5.292 9.875 -2.961) 11.588 8.457 ( 9.145 3.951 2.408) 10.249 13.555 ( 5.582 -3.656 6.256) 9.146 ======================= Grid point 856 (292/417) ======================= q-point: (-0.19 0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -4.163 1.234 -0.698) 4.398 2.197 ( -8.841 -2.308 -8.174) 12.260 3.030 ( 0.961 -1.092 -5.967) 6.142 3.385 ( -13.649 7.258 0.644) 15.472 3.505 ( 1.613 -0.303 4.886) 5.154 5.607 ( -8.751 -4.541 0.112) 9.859 6.798 ( -6.447 9.929 -1.418) 11.923 7.434 ( -2.055 -14.346 0.208) 14.494 8.119 ( -6.258 -1.641 2.086) 6.797 8.477 ( 7.893 10.211 -9.341) 15.931 8.787 ( 20.269 10.356 1.886) 22.840 13.636 ( 5.813 -2.983 5.328) 8.431 ======================= Grid point 864 (293/417) ======================= q-point: ( 0.31 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 15.346 10.129) 18.387 1.459 ( 0.000 10.774 17.628) 20.659 1.970 ( -0.000 9.752 -5.439) 11.167 2.080 ( 0.000 14.269 12.654) 19.071 2.576 ( -0.000 40.532 0.708) 40.538 3.766 ( -0.000 -3.830 -8.012) 8.880 6.199 ( 0.000 6.050 2.678) 6.616 7.625 ( 0.000 -3.984 -0.195) 3.988 8.173 ( -0.000 -6.132 -1.985) 6.445 8.345 ( -0.000 23.225 -19.851) 30.553 11.935 ( 0.000 -27.816 10.078) 29.585 13.183 ( -0.000 16.160 -22.979) 28.092 ======================= Grid point 865 (294/417) ======================= q-point: ( 0.38 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 5.491 11.549 7.560) 14.856 1.613 ( 0.972 8.385 15.043) 17.249 2.111 ( 5.108 15.467 -4.388) 16.869 2.309 ( 6.155 13.321 9.642) 17.559 3.057 ( 10.960 32.143 -4.632) 34.275 3.745 ( 1.228 7.095 -5.335) 8.962 6.291 ( 2.130 7.868 2.412) 8.501 7.485 ( -7.030 -11.358 -0.197) 13.360 8.097 ( -0.579 -5.566 -1.788) 5.874 8.552 ( 6.604 13.627 -15.106) 21.389 11.635 ( -5.102 -31.439 12.244) 34.122 13.250 ( -1.200 13.167 -22.553) 26.142 ======================= Grid point 866 (295/417) ======================= q-point: ( 0.44 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 5.124 7.798 4.509) 10.363 1.759 ( 2.327 7.553 10.407) 13.068 2.407 ( 9.194 19.582 -0.875) 21.651 2.588 ( 9.132 11.923 6.828) 16.497 3.341 ( 3.804 6.415 -13.915) 15.787 4.058 ( 15.101 28.525 2.544) 32.376 6.441 ( 3.913 10.700 2.515) 11.667 7.232 ( -9.485 -8.504 -1.602) 12.840 8.040 ( -0.034 -3.875 -1.514) 4.161 8.661 ( 2.929 -0.201 -11.258) 11.635 11.239 ( -9.864 -32.536 12.568) 36.246 13.249 ( -3.425 8.885 -18.536) 20.839 ======================= Grid point 867 (296/417) ======================= q-point: ( 0.50 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 2.871 7.431 1.871) 8.183 1.917 ( 5.656 7.110 6.134) 10.963 2.699 ( 6.462 8.701 3.495) 11.387 2.914 ( 10.207 19.730 0.141) 22.214 3.367 ( 1.263 2.987 -10.345) 10.842 4.647 ( 19.333 25.502 2.280) 32.083 6.632 ( 3.063 13.736 2.472) 14.289 7.034 ( -5.128 -4.310 -1.221) 6.809 8.021 ( 1.216 -0.534 -1.327) 1.878 8.584 ( -2.551 -7.694 -9.848) 12.755 10.742 ( -16.797 -31.211 8.840) 36.529 13.212 ( -2.032 3.979 -11.222) 12.079 ======================= Grid point 868 (297/417) ======================= q-point: ( 0.56 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 1.014 7.389 0.913) 7.514 2.118 ( 8.151 7.131 1.100) 10.885 2.815 ( 2.370 -0.129 -0.316) 2.395 3.254 ( 5.484 19.565 -4.042) 20.717 3.427 ( 3.127 8.011 0.052) 8.599 5.157 ( 15.218 16.829 1.362) 22.730 6.802 ( 0.098 13.883 1.707) 13.988 6.991 ( 2.244 1.043 0.016) 2.474 8.068 ( 3.245 2.882 -0.553) 4.376 8.406 ( -4.271 -8.918 -8.200) 12.846 10.129 ( -24.244 -26.745 2.906) 36.214 13.201 ( 2.223 -1.112 -3.718) 4.473 ======================= Grid point 869 (298/417) ======================= q-point: ( 0.62 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -0.543 7.263 0.019) 7.283 2.323 ( 8.523 6.461 -4.461) 11.588 2.803 ( -0.718 -2.230 -3.455) 4.175 3.408 ( 2.273 4.247 0.829) 4.888 3.633 ( 0.500 21.446 1.535) 21.507 5.484 ( 8.627 9.155 0.406) 12.586 6.929 ( -0.859 13.082 0.946) 13.144 7.102 ( 7.034 3.946 0.228) 8.069 8.148 ( 1.318 1.212 -0.214) 1.803 8.268 ( 0.244 -3.701 -4.417) 5.768 9.461 ( -27.607 -18.898 -1.717) 33.500 13.240 ( 6.179 -5.052 1.394) 8.102 ======================= Grid point 870 (299/417) ======================= q-point: ( 0.69 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -2.222 6.515 -0.558) 6.906 2.468 ( 3.957 4.290 -11.772) 13.139 2.769 ( 1.178 -0.608 -1.267) 1.834 3.462 ( 1.339 -1.119 5.430) 5.703 3.806 ( -6.085 22.477 0.035) 23.286 5.650 ( 4.205 4.026 -0.584) 5.851 7.023 ( -4.438 14.753 0.342) 15.410 7.274 ( 10.117 -0.634 -0.709) 10.162 8.124 ( 0.698 -2.927 -1.065) 3.192 8.312 ( 2.698 2.077 0.715) 3.479 8.882 ( -23.195 -7.342 -3.695) 24.608 13.312 ( 8.185 -7.184 3.906) 11.569 ======================= Grid point 871 (300/417) ======================= q-point: (-0.25 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -3.778 4.822 -0.788) 6.177 2.442 ( -4.741 2.046 -12.115) 13.169 2.847 ( 6.725 1.587 -3.214) 7.620 3.471 ( 0.384 -3.744 7.444) 8.342 3.860 ( -12.189 20.460 -0.541) 23.822 5.712 ( 0.975 0.486 -0.991) 1.472 7.068 ( -6.846 13.871 0.201) 15.470 7.365 ( 4.858 -8.302 -1.403) 9.720 8.148 ( 3.566 0.765 -0.777) 3.729 8.380 ( 4.196 2.004 2.769) 5.412 8.557 ( -12.215 3.788 -4.494) 13.555 13.395 ( 8.578 -7.724 4.509) 12.392 ======================= Grid point 872 (301/417) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -4.984 2.412 -0.478) 5.558 2.316 ( -8.432 2.725 -8.234) 12.097 2.949 ( 5.134 0.028 -6.267) 8.101 3.466 ( 1.125 -3.670 7.356) 8.298 3.789 ( -17.443 16.651 -0.604) 24.122 5.679 ( -3.908 -2.479 -0.333) 4.639 7.066 ( -8.440 12.060 0.520) 14.729 7.283 ( -0.428 -12.606 -0.209) 12.615 8.197 ( -1.459 1.160 0.319) 1.891 8.473 ( -1.096 6.702 -9.142) 11.388 8.588 ( 14.351 7.302 4.377) 16.686 13.479 ( 8.516 -7.167 3.547) 11.683 ======================= Grid point 881 (302/417) ======================= q-point: ( 0.38 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.000 9.334 5.607) 10.888 1.729 ( 0.000 7.293 13.262) 15.135 2.199 ( -0.000 16.881 -4.097) 17.371 2.423 ( 0.000 13.744 8.401) 16.108 3.232 ( -0.000 20.471 -9.557) 22.592 3.850 ( -0.000 22.611 -1.179) 22.641 6.351 ( -0.000 7.874 1.228) 7.969 7.440 ( 0.000 -10.170 -1.129) 10.233 8.042 ( 0.000 -5.777 -0.869) 5.842 8.562 ( -0.000 7.706 -12.580) 14.752 11.386 ( 0.000 -35.655 12.927) 37.926 13.328 ( -0.000 13.361 -20.668) 24.610 ======================= Grid point 882 (303/417) ======================= q-point: ( 0.44 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 3.959 6.582 3.281) 8.352 1.838 ( 0.646 6.386 10.211) 12.061 2.442 ( 8.483 19.611 -2.057) 21.466 2.603 ( 4.050 10.731 6.253) 13.064 3.328 ( 0.887 6.701 -12.800) 14.475 4.196 ( 6.258 34.399 1.881) 35.014 6.470 ( 4.469 8.899 0.828) 9.993 7.286 ( -6.527 -7.424 -2.898) 10.301 7.994 ( 0.339 -3.612 -0.301) 3.640 8.580 ( 1.684 -1.617 -9.504) 9.786 11.043 ( -3.267 -37.364 13.173) 39.753 13.354 ( -3.755 10.771 -17.641) 21.007 ======================= Grid point 883 (304/417) ======================= q-point: ( 0.50 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 5.574 6.124 1.568) 8.428 1.944 ( 1.841 5.795 6.869) 9.173 2.709 ( 3.191 7.525 3.650) 8.952 2.891 ( 14.350 18.615 -1.699) 23.565 3.360 ( 0.995 5.716 -8.863) 10.593 4.671 ( 10.755 30.268 1.519) 32.158 6.680 ( 7.608 11.801 1.319) 14.102 7.096 ( -7.328 -3.901 -2.626) 8.707 7.987 ( 1.341 -0.342 -0.451) 1.456 8.509 ( -1.185 -7.828 -8.170) 11.377 10.636 ( -7.014 -36.814 11.172) 39.106 13.301 ( -6.399 6.680 -13.026) 15.976 ======================= Grid point 884 (305/417) ======================= q-point: ( 0.56 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 3.578 7.171 1.269) 8.113 2.067 ( 5.384 5.211 2.786) 7.994 2.784 ( 1.334 0.268 0.426) 1.426 3.283 ( 8.493 14.685 -5.306) 17.774 3.468 ( 6.294 13.628 0.648) 15.025 5.116 ( 11.232 20.912 0.992) 23.758 6.894 ( 0.266 6.967 0.148) 6.974 7.018 ( 2.557 7.231 1.062) 7.743 8.035 ( 3.180 3.033 -0.939) 4.494 8.355 ( -3.486 -9.305 -7.304) 12.332 10.163 ( -12.370 -32.894 6.693) 35.775 13.206 ( -5.032 1.577 -7.419) 9.102 ======================= Grid point 885 (306/417) ======================= q-point: ( 0.62 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 0.754 6.968 1.374) 7.142 2.239 ( 7.662 5.814 -1.956) 9.815 2.780 ( -0.087 -1.802 -1.786) 2.538 3.409 ( 1.545 3.761 -0.622) 4.113 3.813 ( 7.196 24.041 1.005) 25.115 5.439 ( 8.089 11.136 0.656) 13.779 6.907 ( 2.104 -0.210 0.479) 2.168 7.227 ( 1.759 17.673 2.637) 17.955 8.134 ( 2.552 3.160 -1.685) 4.397 8.202 ( -0.472 -5.810 -4.823) 7.566 9.638 ( -17.602 -24.661 1.501) 30.336 13.134 ( -0.124 -3.559 -2.280) 4.229 ======================= Grid point 886 (307/417) ======================= q-point: ( 0.69 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -1.162 6.265 0.179) 6.374 2.405 ( 6.113 6.110 -6.183) 10.627 2.751 ( -0.363 -1.280 -1.446) 1.965 3.445 ( 0.680 -0.875 3.319) 3.499 4.117 ( -0.801 25.940 0.037) 25.952 5.613 ( 4.466 3.379 0.372) 5.613 6.973 ( 6.406 -3.133 0.669) 7.163 7.404 ( -2.814 18.968 2.590) 19.349 8.074 ( -0.215 -4.760 -3.175) 5.726 8.284 ( 4.088 4.019 0.059) 5.733 9.139 ( -18.774 -12.523 -2.568) 22.713 13.124 ( 5.277 -7.284 1.112) 9.063 ======================= Grid point 887 (308/417) ======================= q-point: ( 0.75 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -3.310 4.505 -0.604) 5.623 2.498 ( -0.271 6.803 -9.178) 11.427 2.760 ( 3.243 -0.134 -1.035) 3.407 3.442 ( 0.496 -4.461 5.713) 7.266 4.278 ( -9.741 25.234 -0.486) 27.053 5.678 ( 2.649 -1.483 0.165) 3.040 7.029 ( 5.699 -7.822 0.037) 9.678 7.510 ( -6.858 16.472 2.820) 18.065 8.067 ( 4.441 -1.771 -2.069) 5.210 8.367 ( 1.887 3.407 2.137) 4.443 8.783 ( -14.172 -0.605 -5.150) 15.091 13.170 ( 8.678 -8.903 2.354) 12.654 ======================= Grid point 888 (309/417) ======================= q-point: (-0.19 0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -5.008 2.531 -0.219) 5.616 2.475 ( -6.951 7.547 -7.305) 12.595 2.836 ( 5.817 -0.151 -4.323) 7.249 3.423 ( 1.208 -5.772 6.869) 9.053 4.272 ( -17.426 21.003 -0.545) 27.296 5.682 ( 0.511 -3.522 0.186) 3.564 7.015 ( 3.992 -10.892 0.383) 11.607 7.491 ( -12.241 11.223 3.123) 16.898 8.162 ( 6.427 1.808 -3.198) 7.402 8.487 ( 7.133 6.021 4.268) 10.264 8.588 ( -9.347 3.798 -6.580) 12.045 13.249 ( 9.882 -8.767 1.616) 13.309 ======================= Grid point 898 (310/417) ======================= q-point: ( 0.44 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.000 5.219 2.133) 5.638 1.918 ( 0.000 4.996 8.410) 9.782 2.539 ( -0.000 19.121 -2.175) 19.244 2.685 ( 0.000 7.863 4.362) 8.992 3.344 ( -0.000 6.061 -11.055) 12.608 4.496 ( -0.000 35.311 1.254) 35.333 6.495 ( -0.000 6.198 -0.960) 6.272 7.272 ( -0.000 -4.685 -5.027) 6.872 7.966 ( 0.000 -1.350 0.870) 1.606 8.510 ( -0.000 -5.014 -6.561) 8.257 10.735 ( 0.000 -39.633 13.083) 41.736 13.441 ( -0.000 10.227 -15.328) 18.427 ======================= Grid point 899 (311/417) ======================= q-point: ( 0.50 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 4.178 4.484 1.120) 6.230 1.992 ( 0.907 4.092 6.309) 7.574 2.749 ( 0.689 4.811 1.717) 5.155 2.825 ( 11.475 17.035 -1.927) 20.629 3.383 ( 0.681 7.244 -6.964) 10.072 4.855 ( 3.799 30.102 0.386) 30.343 6.618 ( 8.579 5.942 -1.250) 10.510 7.172 ( -5.658 -1.419 -5.351) 7.916 7.980 ( 0.729 2.189 1.246) 2.622 8.427 ( -0.721 -7.774 -4.726) 9.126 10.369 ( -2.032 -39.816 11.694) 41.547 13.440 ( -5.465 7.941 -12.360) 15.675 ======================= Grid point 900 (312/417) ======================= q-point: ( 0.56 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 7.011 4.716 0.306) 8.455 2.073 ( 2.101 3.842 4.695) 6.420 2.774 ( 0.152 0.010 -0.448) 0.473 3.229 ( 14.180 16.184 -2.766) 21.694 3.476 ( 4.505 9.017 -1.395) 10.176 5.190 ( 5.558 21.788 -0.027) 22.485 6.883 ( 13.128 8.446 -1.104) 15.649 7.052 ( -5.227 1.235 -2.733) 6.026 8.038 ( 1.287 5.467 0.758) 5.668 8.303 ( -2.855 -8.150 -4.308) 9.650 9.975 ( -4.046 -37.312 8.910) 38.574 13.339 ( -9.221 4.590 -8.959) 13.651 ======================= Grid point 901 (313/417) ======================= q-point: ( 0.62 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 7.518 3.788 -0.740) 8.450 2.166 ( 3.004 5.566 3.266) 7.118 2.763 ( -0.233 -1.345 -0.999) 1.692 3.431 ( 0.968 5.744 -1.958) 6.145 3.818 ( 16.738 17.760 0.829) 24.419 5.449 ( 4.763 12.778 0.061) 13.637 6.937 ( -4.356 2.221 -1.252) 5.048 7.257 ( 13.409 11.499 0.887) 17.686 8.131 ( 1.914 6.175 -1.105) 6.559 8.161 ( -2.953 -5.570 -2.923) 6.949 9.576 ( -6.397 -30.794 5.255) 31.887 13.184 ( -8.682 0.638 -5.261) 10.172 ======================= Grid point 902 (314/417) ======================= q-point: ( 0.69 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 1.684 3.349 1.089) 3.904 2.343 ( 7.040 6.821 -1.747) 9.957 2.742 ( -0.300 -1.218 -0.628) 1.403 3.454 ( -1.178 0.722 0.461) 1.456 4.263 ( 12.275 21.014 0.246) 24.337 5.587 ( 1.953 3.831 0.197) 4.304 6.908 ( -0.446 0.205 0.411) 0.640 7.554 ( 6.286 13.273 1.555) 14.768 8.036 ( -2.529 -4.803 -3.043) 6.223 8.264 ( 4.082 6.903 -0.377) 8.029 9.215 ( -8.238 -19.295 1.429) 21.029 13.051 ( -3.773 -3.218 -1.812) 5.280 ======================= Grid point 903 (315/417) ======================= q-point: ( 0.75 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -0.929 3.008 -0.138) 3.151 2.507 ( 4.887 7.794 -3.729) 9.926 2.731 ( 0.206 -0.313 -0.416) 0.559 3.419 ( -1.421 -3.794 2.516) 4.769 4.607 ( 1.639 24.017 -0.226) 24.074 5.603 ( 1.283 -4.835 0.381) 5.017 6.908 ( 1.494 -3.536 0.526) 3.874 7.730 ( -0.819 11.921 2.416) 12.191 7.973 ( 1.828 -3.816 -2.221) 4.779 8.381 ( 2.385 5.316 0.767) 5.877 8.951 ( -8.809 -5.220 -2.147) 10.462 12.995 ( 2.671 -5.842 0.333) 6.432 ======================= Grid point 904 (316/417) ======================= q-point: (-0.19 0.44 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -3.665 2.516 0.198) 4.450 2.618 ( -0.997 9.736 -5.642) 11.297 2.742 ( 2.501 -0.688 -1.511) 3.002 3.364 ( 0.256 -6.939 4.742) 8.409 4.745 ( -12.767 22.209 -0.530) 25.623 5.579 ( 4.684 -8.917 0.629) 10.092 6.884 ( 1.331 -6.171 0.727) 6.355 7.751 ( -7.441 5.408 3.417) 9.813 8.035 ( 7.729 0.493 -3.268) 8.406 8.465 ( 2.660 3.172 1.851) 4.535 8.788 ( -9.473 4.599 -3.368) 11.056 13.023 ( 7.276 -6.474 0.358) 9.745 ======================= Grid point 915 (317/417) ======================= q-point: ( 0.50 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -0.000 3.513 0.776) 3.597 2.034 ( 0.000 2.674 5.279) 5.918 2.773 ( -0.000 0.950 -0.620) 1.134 2.880 ( -0.000 16.531 -1.126) 16.569 3.434 ( -0.000 7.976 -4.444) 9.130 5.095 ( -0.000 24.840 -0.834) 24.854 6.563 ( -0.000 1.913 -2.193) 2.910 7.206 ( -0.000 2.190 -6.717) 7.065 8.012 ( 0.000 4.917 1.774) 5.227 8.353 ( 0.000 -7.068 -1.488) 7.223 10.029 ( 0.000 -40.331 10.507) 41.677 13.529 ( -0.000 7.438 -10.599) 12.948 ======================= Grid point 916 (318/417) ======================= q-point: ( 0.56 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 4.731 3.164 0.424) 5.707 2.086 ( 1.576 2.223 5.148) 5.824 2.770 ( -0.148 -0.424 -1.221) 1.301 3.136 ( 12.072 14.541 -0.954) 18.923 3.504 ( 0.935 7.128 -2.216) 7.522 5.319 ( 2.358 17.641 -1.325) 17.848 6.682 ( 12.947 2.128 -1.854) 13.251 7.173 ( -5.654 5.107 -4.885) 9.051 8.086 ( 1.040 7.031 1.211) 7.210 8.271 ( -2.161 -5.748 -0.465) 6.159 9.668 ( -0.682 -38.383 8.393) 39.296 13.505 ( -6.776 5.795 -8.607) 12.393 ======================= Grid point 917 (319/417) ======================= q-point: ( 0.62 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 7.677 2.900 -0.261) 8.210 2.168 ( 3.232 2.835 5.713) 7.150 2.756 ( -0.430 -0.721 -0.879) 1.215 3.456 ( 5.315 8.739 -2.293) 10.482 3.657 ( 14.755 9.058 0.317) 17.316 5.504 ( 3.161 11.118 -0.863) 11.591 6.995 ( 15.738 4.993 -2.956) 16.774 7.110 ( -2.655 5.622 -0.515) 6.239 8.156 ( -2.499 -1.477 -2.189) 3.636 8.193 ( -0.397 5.417 1.807) 5.724 9.330 ( -0.446 -33.301 6.256) 33.886 13.369 ( -11.512 3.659 -6.391) 13.666 ======================= Grid point 918 (320/417) ======================= q-point: ( 0.69 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 6.066 1.278 -0.182) 6.202 2.298 ( 6.014 5.144 4.536) 9.122 2.738 ( -0.633 -0.528 -0.188) 0.845 3.497 ( -2.299 2.199 -1.966) 3.740 4.114 ( 22.872 11.871 0.372) 25.771 5.620 ( 0.612 5.417 -0.312) 5.461 6.988 ( -6.720 3.269 -0.765) 7.512 7.439 ( 18.706 7.441 -0.837) 20.149 8.054 ( -4.471 -2.338 -1.235) 5.194 8.285 ( 1.821 7.178 -0.076) 7.406 9.066 ( 0.686 -24.076 4.630) 24.527 13.173 ( -11.839 1.429 -3.787) 12.512 ======================= Grid point 919 (321/417) ======================= q-point: ( 0.75 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 3.208 0.605 0.172) 3.269 2.479 ( 6.572 6.782 2.052) 9.665 2.727 ( -0.165 -0.222 0.396) 0.483 3.438 ( -3.891 -1.984 -1.481) 4.612 4.605 ( 20.109 13.253 0.238) 24.085 5.606 ( -4.953 -1.140 -0.209) 5.087 6.911 ( -3.901 -0.423 -0.022) 3.924 7.748 ( 10.066 6.298 -1.116) 11.926 7.962 ( -4.275 -1.178 0.049) 4.435 8.389 ( 2.967 5.522 -0.860) 6.327 8.927 ( 1.875 -11.413 2.650) 11.865 13.002 ( -7.403 -0.450 -1.248) 7.521 ======================= Grid point 920 (322/417) ======================= q-point: ( 0.81 0.50 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.439 0.761 -0.000) 0.878 2.640 ( 3.719 6.442 -0.000) 7.438 2.741 ( 1.114 1.930 -0.000) 2.229 3.331 ( -3.442 -5.962 -0.000) 6.884 5.021 ( 10.074 17.448 -0.000) 20.148 5.438 ( -6.466 -11.200 -0.000) 12.932 6.848 ( -1.580 -2.737 -0.000) 3.160 7.879 ( -2.090 -3.620 0.000) 4.180 7.925 ( 3.869 6.701 -0.000) 7.738 8.462 ( 1.104 1.913 -0.000) 2.209 8.898 ( -0.235 -0.407 -0.000) 0.470 12.923 ( -0.679 -1.177 -0.000) 1.359 ======================= Grid point 933 (323/417) ======================= q-point: ( 0.56 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -0.000 2.368 0.585) 2.439 2.106 ( 0.000 1.453 6.317) 6.482 2.764 ( -0.000 -0.406 -0.989) 1.070 3.151 ( -0.000 11.694 -0.512) 11.705 3.556 ( -0.000 5.951 -1.972) 6.269 5.437 ( -0.000 11.969 -1.726) 12.093 6.563 ( -0.000 -0.143 -1.071) 1.081 7.279 ( -0.000 8.583 -3.914) 9.434 8.147 ( -0.000 7.094 0.700) 7.128 8.249 ( 0.000 -3.243 1.141) 3.438 9.329 ( 0.000 -36.487 6.277) 37.023 13.595 ( -0.000 5.396 -7.672) 9.380 ======================= Grid point 934 (324/417) ======================= q-point: ( 0.62 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 4.958 1.931 0.456) 5.340 2.162 ( 2.195 1.469 8.267) 8.679 2.757 ( -0.327 0.178 -0.447) 0.582 3.363 ( 12.287 9.201 -0.577) 15.361 3.601 ( 0.763 3.739 -1.819) 4.228 5.546 ( 2.085 7.711 -0.892) 8.037 6.702 ( 15.933 1.178 -0.515) 15.985 7.299 ( -7.003 9.063 -1.023) 11.499 8.188 ( -2.633 0.168 -0.550) 2.695 8.247 ( 1.156 5.097 1.102) 5.341 9.019 ( 1.121 -31.637 4.300) 31.947 13.555 ( -7.464 4.340 -6.520) 10.820 ======================= Grid point 935 (325/417) ======================= q-point: ( 0.69 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 7.170 1.090 0.038) 7.253 2.262 ( 4.653 1.767 9.105) 10.377 2.753 ( -0.838 1.108 0.194) 1.403 3.547 ( -1.080 2.859 -3.376) 4.554 3.803 ( 21.736 5.244 0.418) 22.363 5.644 ( 2.147 4.613 -0.076) 5.088 7.053 ( 17.467 2.894 -2.600) 17.895 7.243 ( -4.033 6.538 2.309) 8.021 8.119 ( -4.428 -0.055 -0.481) 4.454 8.325 ( 0.935 5.317 -0.405) 5.413 8.803 ( 3.853 -23.056 4.028) 23.720 13.401 ( -12.546 3.349 -4.854) 13.863 ======================= Grid point 936 (326/417) ======================= q-point: ( 0.75 0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 5.561 -0.699 0.262) 5.611 2.418 ( 8.004 2.788 7.428) 11.270 2.750 ( -1.571 1.853 0.963) 2.613 3.490 ( -4.506 -0.806 -4.270) 6.260 4.273 ( 26.747 4.070 0.481) 27.060 5.680 ( -2.222 1.478 -0.182) 2.675 7.030 ( -9.541 0.897 -0.267) 9.587 7.534 ( 19.005 2.634 -2.035) 19.295 8.052 ( -4.529 2.406 0.999) 5.225 8.387 ( 2.161 4.427 -1.980) 5.309 8.733 ( 6.587 -13.178 5.179) 15.616 13.194 ( -13.252 2.808 -2.564) 13.787 ======================= Grid point 951 (327/417) ======================= q-point: ( 0.62 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 0.000 1.276 0.861) 1.539 2.185 ( 0.000 0.755 11.107) 11.133 2.768 ( -0.000 1.532 0.384) 1.579 3.322 ( -0.000 6.023 -0.158) 6.025 3.622 ( -0.000 2.210 -2.785) 3.555 5.590 ( -0.000 5.478 0.457) 5.497 6.566 ( 0.000 0.647 1.303) 1.455 7.462 ( -0.000 10.137 1.555) 10.255 8.237 ( 0.000 0.989 0.549) 1.131 8.260 ( -0.000 4.039 -1.299) 4.243 8.729 ( 0.000 -26.673 1.478) 26.713 13.640 ( -0.000 3.802 -6.326) 7.381 ======================= Grid point 952 (328/417) ======================= q-point: ( 0.69 0.62 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 4.768 0.614 0.742) 4.864 2.243 ( 2.216 -0.521 12.253) 12.462 2.790 ( -0.603 3.292 1.464) 3.653 3.483 ( 12.290 3.513 -0.696) 12.801 3.620 ( 0.596 -0.059 -3.153) 3.209 5.652 ( 1.476 3.651 1.437) 4.192 6.731 ( 16.789 1.585 1.270) 16.911 7.476 ( -9.586 7.167 4.064) 12.640 8.187 ( -3.849 0.107 -1.413) 4.101 8.342 ( 3.017 4.329 -0.956) 5.362 8.540 ( 3.547 -17.783 0.594) 18.143 13.590 ( -7.375 3.219 -5.606) 9.807 ======================= Grid point 954 (329/417) ======================= q-point: (-0.25 -0.38 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 6.138 -0.845 0.412) 6.210 2.331 ( 5.653 -1.796 10.618) 12.162 2.817 ( -1.711 4.638 2.877) 5.720 3.534 ( -3.311 -0.817 -5.706) 6.648 3.855 ( 23.755 -0.417 0.596) 23.766 5.703 ( 0.648 1.073 0.956) 1.576 7.076 ( 16.379 0.825 -1.445) 16.463 7.343 ( -7.221 0.459 3.122) 7.880 8.142 ( -2.383 2.784 0.350) 3.682 8.405 ( 0.072 5.473 -2.378) 5.968 8.519 ( 7.593 -9.080 3.487) 12.339 13.436 ( -12.081 3.244 -3.988) 13.130 ======================= Grid point 970 (330/417) ======================= q-point: (-0.31 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 0.014 1.105) 1.105 2.252 ( 0.000 -2.762 13.194) 13.480 2.846 ( 0.000 5.361 3.482) 6.393 3.383 ( -0.000 0.268 0.011) 0.268 3.607 ( -0.000 -1.080 -4.845) 4.964 5.677 ( 0.000 2.130 2.578) 3.344 6.607 ( 0.000 1.962 3.197) 3.751 7.657 ( 0.000 5.078 8.149) 9.602 8.216 ( -0.000 -5.289 -2.845) 6.006 8.272 ( -0.000 -1.477 -2.854) 3.213 8.432 ( -0.000 1.097 -1.367) 1.753 13.662 ( -0.000 2.689 -5.926) 6.507 ======================= Grid point 971 (331/417) ======================= q-point: (-0.25 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 4.170 -0.988 0.845) 4.368 2.270 ( 2.080 -5.016 11.491) 12.709 2.908 ( -1.127 6.040 5.385) 8.170 3.490 ( 11.861 -2.086 -1.335) 12.117 3.566 ( 0.735 -2.506 -4.589) 5.280 5.698 ( 0.549 -0.875 1.907) 2.169 6.773 ( 15.119 1.368 2.184) 15.337 7.561 ( -13.391 -3.365 5.004) 14.686 8.183 ( -0.209 2.003 -0.678) 2.125 8.325 ( 8.258 -3.747 0.935) 9.116 8.483 ( -0.693 10.777 -2.659) 11.121 13.611 ( -6.634 2.749 -5.319) 8.936 ======================= Grid point 988 (332/417) ======================= q-point: (-0.25 -0.25 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 0.000 -1.586 1.045) 1.899 2.229 ( 0.000 -7.354 10.430) 12.762 2.994 ( 0.000 4.788 6.858) 8.364 3.333 ( 0.000 -5.442 0.023) 5.442 3.537 ( -0.000 -1.285 -6.385) 6.513 5.673 ( 0.000 -4.861 1.309) 5.034 6.670 ( 0.000 1.859 3.308) 3.794 7.642 ( 0.000 -10.158 3.497) 10.743 8.176 ( -0.000 -5.950 -2.968) 6.649 8.269 ( 0.000 11.968 5.499) 13.171 8.614 ( -0.000 16.622 -2.896) 16.872 13.674 ( -0.000 2.672 -5.935) 6.509 ======================= Grid point 1109 (333/417) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.000 -0.000 18.276) 18.276 0.785 ( 0.000 -0.000 18.276) 18.276 1.640 ( 0.000 -0.000 39.957) 39.957 1.804 ( -0.000 0.000 -5.565) 5.565 1.804 ( -0.000 0.000 -5.565) 5.565 4.328 ( -0.000 0.000 -17.411) 17.411 6.071 ( 0.000 -0.000 3.384) 3.384 6.071 ( 0.000 -0.000 3.384) 3.384 8.321 ( -0.000 0.000 -2.412) 2.412 8.321 ( -0.000 0.000 -2.412) 2.412 12.387 ( 0.000 -0.000 1.696) 1.696 12.831 ( -0.000 0.000 -0.882) 0.882 ======================= Grid point 1110 (334/417) ======================= q-point: ( 0.31 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 11.036 6.372 15.626) 20.163 1.161 ( 17.592 10.157 15.921) 25.810 1.806 ( 2.507 1.448 -6.060) 6.716 1.861 ( 8.716 5.032 30.348) 31.973 1.976 ( 18.185 10.499 -3.600) 21.304 3.955 ( -14.445 -8.340 -8.949) 18.929 6.101 ( 1.910 1.103 3.247) 3.925 7.066 ( 57.359 33.116 -17.471) 68.498 8.162 ( -10.538 -6.084 -4.146) 12.855 8.290 ( -2.393 -1.382 -2.378) 3.646 12.342 ( -7.257 -4.190 5.002) 9.759 12.890 ( 6.707 3.872 -11.843) 14.150 ======================= Grid point 1111 (335/417) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 13.960 8.060 11.646) 19.886 1.472 ( 6.801 3.927 17.082) 18.801 1.889 ( 7.249 4.185 -6.174) 10.401 2.168 ( 12.434 7.179 14.231) 20.216 2.614 ( 34.644 20.002 -0.855) 40.013 3.724 ( -4.335 -2.503 -8.783) 10.109 6.176 ( 3.874 2.236 2.836) 5.296 7.616 ( -10.254 -5.920 -0.066) 11.840 8.207 ( -4.109 -2.372 -2.224) 5.240 8.263 ( 27.426 15.834 -19.033) 36.948 12.085 ( -17.146 -9.899 11.030) 22.664 12.998 ( 6.889 3.977 -22.216) 23.597 ======================= Grid point 1112 (336/417) ======================= q-point: ( 0.44 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 8.684 5.014 6.426) 11.910 1.654 ( 6.056 3.496 13.237) 14.970 2.121 ( 14.921 8.615 -3.658) 17.614 2.494 ( 12.591 7.269 10.396) 17.874 3.256 ( 16.226 9.368 -13.396) 23.033 3.801 ( 18.756 10.829 1.061) 21.684 6.289 ( 5.320 3.072 2.196) 6.524 7.301 ( -13.371 -7.720 -0.465) 15.447 8.106 ( -3.909 -2.257 -1.869) 4.885 8.659 ( 10.301 5.947 -12.999) 17.620 11.657 ( -24.395 -14.084 11.302) 30.352 13.062 ( 5.436 3.139 -19.131) 20.134 ======================= Grid point 1113 (337/417) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 4.948 2.857 2.085) 6.082 1.848 ( 8.342 4.816 7.549) 12.238 2.491 ( 17.463 10.082 -1.017) 20.190 2.767 ( 8.427 4.865 6.626) 11.772 3.341 ( 2.220 1.282 -13.682) 13.921 4.437 ( 29.880 17.251 3.143) 34.645 6.417 ( 5.252 3.032 1.183) 6.179 7.077 ( -5.817 -3.359 -0.552) 6.740 8.038 ( -1.353 -0.781 -1.093) 1.907 8.680 ( -3.401 -1.964 -10.393) 11.111 11.055 ( -31.619 -18.255 5.752) 36.961 13.143 ( 5.900 3.406 -8.897) 11.206 ======================= Grid point 1114 (338/417) ======================= q-point: ( 0.56 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 3.561 2.056 0.239) 4.119 2.072 ( 10.077 5.818 1.491) 11.731 2.858 ( 14.941 8.626 -0.251) 17.254 2.883 ( 1.210 0.699 -1.670) 2.177 3.380 ( 4.104 2.370 -3.934) 6.159 5.032 ( 21.561 12.448 1.711) 24.955 6.519 ( 3.593 2.074 -0.341) 4.163 7.054 ( 3.921 2.264 -0.216) 4.533 8.048 ( 2.355 1.360 0.244) 2.731 8.511 ( -7.628 -4.404 -8.090) 11.960 10.297 ( -36.060 -20.819 -0.230) 41.640 13.264 ( 5.924 3.420 -0.164) 6.842 ======================= Grid point 1115 (339/417) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 2.473 1.428 -0.615) 2.921 2.295 ( 9.968 5.755 -5.546) 12.777 2.845 ( -2.433 -1.405 -5.767) 6.415 3.144 ( 10.414 6.013 -0.073) 12.025 3.473 ( 3.460 1.998 3.325) 5.198 5.409 ( 12.344 7.127 0.052) 14.253 6.577 ( 2.091 1.208 -1.973) 3.118 7.234 ( 11.406 6.585 -0.723) 13.191 8.131 ( 4.172 2.409 1.727) 5.118 8.335 ( -5.555 -3.207 -4.642) 7.918 9.482 ( -35.017 -20.217 -3.074) 40.551 13.396 ( 4.999 2.886 4.536) 7.341 ======================= Grid point 1116 (340/417) ======================= q-point: ( 0.69 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 1.294 0.747 -1.045) 1.824 2.443 ( 4.572 2.640 -14.583) 15.509 2.794 ( 0.685 0.396 -2.203) 2.341 3.321 ( 5.312 3.067 -0.028) 6.134 3.538 ( 0.853 0.492 5.938) 6.019 5.613 ( 6.569 3.793 -1.745) 7.783 6.610 ( 1.744 1.007 -3.124) 3.716 7.515 ( 13.233 7.640 -3.537) 15.684 8.219 ( 2.500 1.443 2.784) 4.010 8.249 ( -1.478 -0.853 -0.880) 1.920 8.763 ( -26.778 -15.460 -1.914) 30.979 13.511 ( 3.649 2.107 6.411) 7.671 ======================= Grid point 1117 (341/417) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.011 0.006 -1.182) 1.183 2.389 ( -3.719 -2.147 -15.060) 15.660 2.881 ( 6.411 3.701 -3.800) 8.321 3.383 ( 0.251 0.145 -0.017) 0.290 3.550 ( -1.369 -0.790 6.887) 7.066 5.701 ( 1.858 1.073 -2.495) 3.291 6.640 ( 1.897 1.095 -3.582) 4.199 7.742 ( 5.914 3.414 -9.198) 11.456 8.189 ( -5.208 -3.007 2.765) 6.619 8.243 ( -1.443 -0.833 3.212) 3.618 8.419 ( 0.204 0.118 1.373) 1.393 13.601 ( 2.561 1.479 6.748) 7.368 ======================= Grid point 1126 (342/417) ======================= q-point: ( 0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 0.000 12.720 14.330) 19.161 1.199 ( 0.000 22.408 15.808) 27.422 1.816 ( -0.000 4.489 -6.456) 7.863 1.897 ( -0.000 11.569 0.227) 11.571 1.988 ( 0.000 14.935 26.102) 30.072 3.924 ( -0.000 -15.804 -10.726) 19.100 6.122 ( 0.000 2.894 3.112) 4.250 6.993 ( -0.000 62.367 -13.792) 63.874 8.185 ( -0.000 -9.539 -4.684) 10.627 8.265 ( -0.000 -3.750 -2.209) 4.353 12.344 ( 0.000 -9.776 4.993) 10.977 12.865 ( -0.000 7.267 -10.532) 12.796 ======================= Grid point 1127 (343/417) ======================= q-point: ( 0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 7.028 14.251 12.093) 19.968 1.488 ( 4.719 10.495 15.618) 19.400 1.860 ( 2.007 8.347 -6.631) 10.847 2.118 ( 8.467 10.022 11.272) 17.297 2.403 ( 17.804 29.204 5.902) 34.709 3.730 ( -3.783 -5.771 -10.320) 12.415 6.178 ( 1.443 4.575 2.842) 5.575 7.613 ( 8.565 11.556 -2.535) 14.606 8.072 ( 3.895 11.309 -14.168) 18.542 8.224 ( 0.168 -1.587 -3.779) 4.102 12.172 ( -6.647 -18.804 9.779) 22.213 12.931 ( 2.081 10.470 -18.950) 21.749 ======================= Grid point 1128 (344/417) ======================= q-point: ( 0.44 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 6.702 9.702 7.983) 14.240 1.666 ( 3.015 5.612 13.577) 14.998 2.038 ( 8.346 15.381 -4.574) 18.087 2.414 ( 10.519 9.407 11.629) 18.286 3.034 ( 20.345 21.226 -7.932) 30.453 3.693 ( 6.010 7.816 -4.309) 10.760 6.279 ( 3.020 6.617 2.585) 7.719 7.431 ( -12.511 -11.534 0.341) 17.020 8.117 ( -1.678 -4.338 -2.095) 5.102 8.492 ( 13.668 13.974 -13.526) 23.771 11.831 ( -13.588 -23.442 11.650) 29.493 12.996 ( 1.840 9.497 -19.980) 22.198 ======================= Grid point 1129 (345/417) ======================= q-point: ( 0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 3.496 6.336 2.984) 7.828 1.817 ( 4.667 5.435 9.445) 11.855 2.385 ( 12.248 19.046 -0.846) 22.660 2.701 ( 9.103 7.317 8.348) 14.356 3.266 ( 3.764 3.496 -15.244) 16.087 4.170 ( 25.475 23.269 2.992) 34.632 6.416 ( 3.113 8.780 2.208) 9.574 7.148 ( -8.766 -7.396 -0.008) 11.469 8.046 ( -1.484 -2.292 -1.702) 3.217 8.641 ( 1.858 -0.785 -10.243) 10.439 11.325 ( -22.304 -25.347 7.346) 34.553 13.068 ( 3.828 6.569 -11.771) 14.013 ======================= Grid point 1130 (346/417) ======================= q-point: ( 0.56 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 1.924 5.737 0.746) 6.097 1.995 ( 7.060 6.088 4.232) 10.238 2.749 ( 9.764 12.027 1.441) 15.559 2.891 ( 4.129 8.915 -0.675) 9.847 3.320 ( 4.402 4.054 -6.728) 9.004 4.811 ( 22.917 18.770 2.185) 29.703 6.552 ( 0.889 10.371 1.407) 10.504 7.020 ( -0.442 -2.592 0.549) 2.686 8.030 ( 1.252 0.840 -0.887) 1.749 8.535 ( -4.713 -6.532 -8.498) 11.709 10.644 ( -30.452 -24.995 0.855) 39.405 13.178 ( 6.360 2.648 -2.322) 7.270 ======================= Grid point 1131 (347/417) ======================= q-point: ( 0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 0.789 5.462 -0.244) 5.524 2.188 ( 8.006 6.098 -2.029) 10.266 2.832 ( -0.330 -2.005 -3.836) 4.341 3.134 ( 5.814 17.873 -1.177) 18.831 3.439 ( 4.656 4.293 1.685) 6.553 5.279 ( 14.235 11.726 1.115) 18.476 6.649 ( -2.361 11.737 0.126) 11.973 7.088 ( 8.917 0.714 0.549) 8.962 8.096 ( 3.716 3.125 0.514) 4.882 8.360 ( -4.589 -6.148 -5.906) 9.681 9.857 ( -34.097 -22.069 -3.282) 40.748 13.308 ( 7.539 -0.760 3.412) 8.310 ======================= Grid point 1132 (348/417) ======================= q-point: ( 0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -0.435 5.013 -0.755) 5.088 2.346 ( 5.857 4.581 -10.036) 12.491 2.782 ( -0.732 -1.356 -2.992) 3.365 3.356 ( 2.038 13.997 0.178) 14.146 3.543 ( 1.697 3.458 4.124) 5.643 5.541 ( 7.257 6.417 -0.408) 9.695 6.708 ( -4.771 13.355 -1.142) 14.228 7.301 ( 14.356 0.430 -1.042) 14.401 8.175 ( 1.875 -0.837 1.051) 2.307 8.271 ( 0.441 0.631 -1.770) 1.930 9.100 ( -30.976 -15.822 -3.737) 34.983 13.431 ( 7.376 -2.977 5.766) 9.824 ======================= Grid point 1133 (349/417) ======================= q-point: ( 0.75 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -1.713 4.251 -0.959) 4.683 2.374 ( -1.102 0.960 -14.672) 14.745 2.806 ( 4.327 1.606 -1.770) 4.944 3.473 ( -2.128 10.025 1.468) 10.353 3.585 ( -1.778 2.567 4.114) 5.165 5.668 ( 3.214 3.041 -1.870) 4.803 6.747 ( -5.964 14.366 -1.917) 15.673 7.519 ( 13.231 -4.652 -4.562) 14.749 8.173 ( 1.158 -3.169 1.534) 3.706 8.331 ( 1.778 4.602 1.325) 5.108 8.549 ( -19.251 -5.319 -1.205) 20.009 13.533 ( 6.486 -4.103 6.159) 9.841 ======================= Grid point 1143 (350/417) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 13.206 10.205) 16.689 1.614 ( 0.000 10.355 14.161) 17.543 1.910 ( -0.000 10.432 -6.985) 12.555 2.192 ( 0.000 13.742 9.926) 16.952 2.601 ( -0.000 35.001 4.741) 35.320 3.677 ( -0.000 -2.484 -10.279) 10.575 6.222 ( 0.000 5.646 2.126) 6.033 7.633 ( 0.000 -1.584 1.881) 2.459 8.156 ( 0.000 -5.864 -1.444) 6.039 8.164 ( -0.000 23.452 -17.658) 29.356 12.037 ( 0.000 -26.096 10.961) 28.304 12.979 ( -0.000 13.841 -19.507) 23.918 ======================= Grid point 1144 (351/417) ======================= q-point: ( 0.44 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 4.901 9.102 7.100) 12.542 1.744 ( 0.492 7.055 11.755) 13.718 2.065 ( 6.053 16.998 -5.002) 18.724 2.410 ( 5.954 11.697 11.251) 17.288 3.003 ( 8.056 25.696 -6.673) 27.743 3.695 ( 3.231 12.373 -4.808) 13.662 6.311 ( 2.479 7.444 1.760) 8.041 7.484 ( -7.529 -12.829 -0.074) 14.875 8.082 ( -0.782 -4.888 -1.245) 5.105 8.419 ( 7.656 16.232 -12.087) 21.638 11.755 ( -4.958 -30.662 12.437) 33.458 13.045 ( -0.979 13.718 -19.728) 24.048 ======================= Grid point 1145 (352/417) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 4.335 6.437 3.250) 8.414 1.852 ( 1.403 5.879 8.544) 10.465 2.399 ( 10.647 21.620 -0.748) 24.111 2.661 ( 7.837 8.523 8.411) 14.311 3.205 ( 3.245 7.080 -14.094) 16.102 4.079 ( 15.927 29.082 1.782) 33.205 6.463 ( 4.278 10.484 1.935) 11.487 7.219 ( -9.145 -9.340 -1.004) 13.110 8.027 ( -0.333 -3.520 -1.214) 3.738 8.565 ( 3.025 0.798 -8.561) 9.115 11.351 ( -11.231 -32.408 10.388) 35.838 13.086 ( -1.198 10.445 -14.771) 18.131 ======================= Grid point 1146 (353/417) ======================= q-point: ( 0.56 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 2.566 7.120 1.042) 7.640 1.973 ( 4.096 5.506 5.139) 8.573 2.737 ( 5.952 9.422 4.274) 11.936 2.905 ( 8.740 15.824 -2.157) 18.205 3.280 ( 3.705 6.949 -7.249) 10.703 4.666 ( 19.312 24.995 1.710) 31.633 6.655 ( 3.054 13.729 2.204) 14.236 7.029 ( -4.514 -4.597 0.026) 6.443 8.008 ( 1.266 -0.364 -1.340) 1.878 8.500 ( -2.646 -7.224 -7.326) 10.624 10.808 ( -19.630 -30.918 4.623) 36.914 13.125 ( 1.420 4.592 -6.510) 8.092 ======================= Grid point 1147 (354/417) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 0.568 7.600 0.294) 7.627 2.126 ( 6.185 5.621 0.557) 8.376 2.807 ( 0.366 -1.282 -1.260) 1.835 3.218 ( 6.341 18.361 -3.008) 19.657 3.435 ( 4.876 11.442 1.316) 12.507 5.169 ( 15.068 16.443 1.229) 22.337 6.821 ( -0.213 13.730 2.224) 13.911 6.995 ( 2.180 1.439 0.922) 2.770 8.062 ( 3.901 2.890 -0.808) 4.922 8.337 ( -3.800 -8.406 -5.906) 10.954 10.138 ( -26.799 -26.179 -1.069) 37.479 13.185 ( 5.106 -1.547 0.266) 5.342 ======================= Grid point 1148 (355/417) ======================= q-point: ( 0.69 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -0.944 7.452 -0.171) 7.514 2.276 ( 5.526 5.370 -5.290) 9.346 2.774 ( -0.948 -1.601 -2.481) 3.101 3.419 ( 3.951 6.609 1.429) 7.832 3.647 ( 0.387 19.776 1.219) 19.818 5.489 ( 8.182 8.946 0.626) 12.139 6.943 ( -1.506 13.285 2.008) 13.520 7.105 ( 6.221 4.420 0.225) 7.635 8.145 ( 1.042 -0.938 -0.404) 1.459 8.233 ( 2.462 -1.153 -2.798) 3.901 9.433 ( -28.743 -18.502 -4.026) 34.420 13.265 ( 7.881 -5.906 3.788) 10.552 ======================= Grid point 1149 (356/417) ======================= q-point: ( 0.75 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -2.457 6.600 -0.463) 7.058 2.358 ( 1.115 4.422 -10.864) 11.782 2.759 ( 1.581 -0.147 -0.870) 1.811 3.509 ( 2.374 -0.146 4.455) 5.050 3.806 ( -6.223 21.862 -0.142) 22.731 5.645 ( 3.537 4.189 -0.306) 5.491 7.032 ( -5.172 15.271 1.546) 16.197 7.262 ( 8.744 0.305 -1.684) 8.910 8.118 ( 1.662 -3.594 -0.274) 3.970 8.319 ( 3.468 2.822 0.707) 4.526 8.843 ( -22.879 -7.796 -4.188) 24.531 13.354 ( 8.997 -8.148 4.732) 13.028 ======================= Grid point 1160 (357/417) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 0.000 7.131 5.018) 8.720 1.840 ( 0.000 6.049 9.355) 11.140 2.157 ( -0.000 18.390 -4.506) 18.934 2.516 ( 0.000 11.708 10.951) 16.031 3.130 ( -0.000 15.366 -11.665) 19.292 3.840 ( -0.000 27.310 -0.777) 27.321 6.359 ( -0.000 7.154 0.366) 7.163 7.424 ( 0.000 -12.043 -2.299) 12.260 8.037 ( 0.000 -5.252 -0.067) 5.253 8.460 ( -0.000 10.211 -8.387) 13.214 11.512 ( 0.000 -35.169 13.216) 37.571 13.137 ( -0.000 14.744 -18.547) 23.693 ======================= Grid point 1161 (358/417) ======================= q-point: ( 0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 3.672 5.271 2.579) 6.922 1.921 ( 0.220 5.222 6.671) 8.475 2.422 ( 9.716 20.695 -2.120) 22.961 2.673 ( 3.031 7.501 8.389) 11.654 3.204 ( 1.056 8.182 -12.593) 15.055 4.210 ( 6.488 34.562 1.007) 35.180 6.474 ( 5.135 8.168 -0.081) 9.648 7.254 ( -5.925 -8.699 -3.699) 11.156 7.995 ( -0.050 -3.035 0.379) 3.059 8.508 ( 1.326 -0.361 -5.283) 5.459 11.168 ( -3.867 -37.457 12.408) 39.648 13.193 ( -2.939 12.676 -15.413) 20.171 ======================= Grid point 1162 (359/417) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 5.293 5.494 1.168) 7.718 1.999 ( 1.223 5.031 4.204) 6.669 2.752 ( 2.973 5.862 5.293) 8.439 2.867 ( 13.427 16.981 -3.242) 21.889 3.285 ( 2.814 9.370 -6.480) 11.735 4.682 ( 10.914 29.768 0.713) 31.714 6.687 ( 8.504 11.114 0.273) 13.996 7.071 ( -5.976 -4.451 -2.462) 7.847 7.985 ( 0.649 0.164 0.037) 0.670 8.448 ( -1.932 -7.180 -4.323) 8.601 10.734 ( -8.870 -36.931 8.833) 38.995 13.188 ( -4.389 7.894 -10.042) 13.506 ======================= Grid point 1163 (360/417) ======================= q-point: ( 0.62 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 4.138 7.241 0.392) 8.349 2.091 ( 3.397 4.389 1.889) 5.863 2.788 ( 0.240 -1.223 0.427) 1.318 3.240 ( 8.342 14.829 -3.335) 17.338 3.474 ( 8.207 15.606 0.544) 17.641 5.123 ( 11.402 20.536 0.515) 23.495 6.894 ( 0.611 4.716 -0.079) 4.756 7.028 ( 4.223 8.825 0.776) 9.814 8.027 ( 2.691 3.319 -0.571) 4.310 8.301 ( -3.918 -8.733 -3.814) 10.304 10.213 ( -15.101 -32.437 3.557) 35.956 13.150 ( -2.404 1.543 -4.067) 4.970 ======================= Grid point 1164 (361/417) ======================= q-point: ( 0.69 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 0.092 7.594 0.889) 7.646 2.219 ( 6.010 4.875 -2.218) 8.050 2.766 ( -0.674 -1.559 -1.149) 2.051 3.408 ( 3.237 4.728 0.311) 5.738 3.821 ( 6.963 23.551 0.511) 24.564 5.445 ( 8.156 10.903 0.464) 13.624 6.914 ( 2.720 -0.628 0.950) 2.949 7.248 ( 1.920 17.881 1.683) 18.062 8.119 ( 1.132 0.201 -1.128) 1.610 8.169 ( 1.336 -2.290 -2.256) 3.481 9.640 ( -20.075 -23.823 -1.101) 31.173 13.126 ( 2.098 -4.385 0.488) 4.885 ======================= Grid point 1165 (362/417) ======================= q-point: ( 0.75 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -1.681 6.217 0.155) 6.442 2.347 ( 3.587 6.565 -5.643) 9.371 2.741 ( -0.186 -0.836 -0.711) 1.113 3.474 ( 2.093 -0.713 2.750) 3.529 4.116 ( -1.030 25.775 -0.156) 25.796 5.616 ( 4.361 3.358 0.363) 5.516 6.980 ( 6.201 -3.446 0.819) 7.141 7.426 ( -2.993 19.575 1.813) 19.885 8.053 ( 0.356 -4.974 -1.018) 5.089 8.284 ( 4.788 4.550 0.023) 6.605 9.107 ( -20.296 -12.056 -3.889) 23.925 13.142 ( 6.540 -8.339 2.665) 10.928 ======================= Grid point 1178 (363/417) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 0.000 4.354 1.594) 4.636 1.982 ( 0.000 4.189 4.572) 6.201 2.518 ( -0.000 19.840 -2.076) 19.948 2.736 ( 0.000 4.196 6.293) 7.564 3.242 ( -0.000 9.100 -9.805) 13.378 4.503 ( -0.000 34.780 0.212) 34.780 6.483 ( -0.000 5.503 -1.542) 5.715 7.218 ( -0.000 -5.774 -6.049) 8.362 7.977 ( 0.000 -0.844 1.410) 1.643 8.470 ( -0.000 -3.884 -1.832) 4.294 10.859 ( 0.000 -40.256 12.455) 42.139 13.299 ( -0.000 12.272 -13.843) 18.499 ======================= Grid point 1179 (364/417) ======================= q-point: ( 0.56 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 4.078 4.043 0.854) 5.806 2.038 ( 0.777 3.937 3.139) 5.095 2.775 ( 0.449 1.143 3.582) 3.787 2.806 ( 11.377 18.176 -1.950) 21.531 3.323 ( 1.466 10.064 -5.322) 11.479 4.854 ( 3.997 29.474 -0.496) 29.748 6.604 ( 9.071 5.455 -1.730) 10.725 7.119 ( -4.482 -1.782 -5.487) 7.306 7.993 ( 0.384 2.464 1.435) 2.877 8.402 ( -1.615 -6.979 -0.442) 7.177 10.477 ( -2.707 -40.714 10.528) 42.140 13.327 ( -4.764 9.563 -10.884) 15.251 ======================= Grid point 1180 (365/417) ======================= q-point: ( 0.62 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2052 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 6.776 4.350 0.314) 8.059 2.109 ( 1.669 4.449 2.758) 5.494 2.777 ( -0.105 -1.354 1.023) 1.700 3.207 ( 12.973 16.207 -1.634) 20.824 3.463 ( 6.531 10.553 -1.386) 12.487 5.188 ( 5.936 21.382 -0.556) 22.198 6.867 ( 12.755 7.535 -2.104) 14.963 7.027 ( -2.631 1.790 -2.296) 3.924 8.045 ( 0.758 5.554 0.811) 5.664 8.281 ( -3.911 -7.519 -0.395) 8.484 10.053 ( -5.475 -37.815 7.183) 38.878 13.261 ( -7.808 5.333 -7.098) 11.823 ======================= Grid point 1181 (366/417) ======================= q-point: ( 0.69 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 7.280 3.920 -0.764) 8.304 2.196 ( 1.696 6.084 2.752) 6.889 2.759 ( -0.478 -1.481 0.228) 1.573 3.416 ( 1.923 6.034 -1.280) 6.461 3.822 ( 16.728 17.636 0.163) 24.308 5.448 ( 5.070 12.587 -0.224) 13.572 6.925 ( -3.011 2.226 -1.225) 3.940 7.259 ( 14.168 10.995 -0.455) 17.940 8.117 ( -0.861 0.738 -0.941) 1.473 8.155 ( -1.351 0.390 0.725) 1.582 9.618 ( -8.433 -30.417 3.388) 31.746 13.143 ( -6.850 0.510 -3.141) 7.553 ======================= Grid point 1182 (367/417) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 1.683 2.915 -0.000) 3.365 2.334 ( 4.731 8.194 -0.000) 9.461 2.739 ( -0.524 -0.908 -0.000) 1.048 3.456 ( 0.148 0.257 -0.000) 0.296 4.264 ( 12.124 21.000 -0.000) 24.249 5.588 ( 2.142 3.710 -0.000) 4.284 6.910 ( 0.043 0.075 -0.000) 0.087 7.561 ( 7.322 12.682 -0.000) 14.644 8.021 ( -2.630 -4.555 -0.000) 5.260 8.262 ( 4.019 6.961 -0.000) 8.038 9.222 ( -10.543 -18.261 -0.000) 21.086 13.042 ( -2.214 -3.835 -0.000) 4.429 ======================= Grid point 1196 (368/417) ======================= q-point: ( 0.56 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -0.000 3.329 0.637) 3.390 2.074 ( 0.000 3.331 2.866) 4.394 2.780 ( 0.000 -0.913 2.091) 2.281 2.870 ( -0.000 16.872 -0.960) 16.900 3.395 ( -0.000 9.740 -3.526) 10.359 5.084 ( -0.000 24.258 -1.489) 24.304 6.543 ( -0.000 2.018 -1.847) 2.736 7.144 ( -0.000 2.687 -6.057) 6.627 8.028 ( 0.000 4.740 1.499) 4.971 8.355 ( 0.000 -6.593 1.887) 6.858 10.127 ( 0.000 -41.814 9.685) 42.921 13.429 ( -0.000 8.937 -9.883) 13.324 ======================= Grid point 1197 (369/417) ======================= q-point: ( 0.62 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 4.576 3.082 0.493) 5.539 2.131 ( 1.496 3.738 4.115) 5.757 2.771 ( -0.259 -1.351 1.444) 1.995 3.129 ( 11.878 14.685 -0.541) 18.895 3.482 ( 1.386 7.835 -2.388) 8.307 5.305 ( 2.668 17.446 -1.514) 17.714 6.666 ( 12.766 2.468 -1.492) 13.087 7.130 ( -4.743 6.211 -3.815) 8.696 8.095 ( 0.820 6.416 0.628) 6.499 8.280 ( -2.741 -5.474 2.202) 6.506 9.746 ( -0.965 -39.893 7.609) 40.624 13.425 ( -6.255 6.827 -8.002) 12.238 ======================= Grid point 1198 (370/417) ======================= q-point: ( 0.69 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 7.271 2.805 0.099) 7.794 2.223 ( 2.589 4.677 5.668) 7.791 2.756 ( -0.488 -1.118 0.997) 1.576 3.435 ( 4.675 8.221 -1.945) 9.655 3.656 ( 15.722 9.535 -0.554) 18.395 5.496 ( 3.499 11.226 -0.809) 11.787 6.967 ( 13.428 5.027 -2.820) 14.613 7.107 ( 0.074 6.749 -0.251) 6.754 8.144 ( -2.426 -0.669 -0.412) 2.551 8.211 ( -1.152 4.029 1.989) 4.638 9.387 ( -0.918 -34.106 5.490) 34.557 13.311 ( -10.470 4.147 -5.511) 12.538 ======================= Grid point 1214 (371/417) ======================= q-point: ( 0.62 0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 0.000 2.437 0.705) 2.537 2.170 ( 0.000 3.781 6.871) 7.842 2.767 ( 0.000 -1.096 1.762) 2.075 3.147 ( -0.000 11.869 -0.364) 11.875 3.534 ( -0.000 6.080 -2.697) 6.651 5.422 ( -0.000 12.445 -1.302) 12.513 6.558 ( -0.000 0.631 -0.016) 0.631 7.249 ( -0.000 10.397 -2.363) 10.662 8.150 ( -0.000 6.403 -0.165) 6.405 8.267 ( 0.000 -3.708 2.430) 4.433 9.388 ( 0.000 -38.545 5.970) 39.005 13.520 ( -0.000 6.269 -7.695) 9.926 ======================= Grid point 1216 (372/417) ======================= q-point: (-0.31 -0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 4.731 1.992 0.701) 5.181 2.250 ( 1.701 3.795 9.797) 10.643 2.762 ( -0.456 -0.186 1.336) 1.424 3.358 ( 11.743 9.132 -0.412) 14.882 3.577 ( 1.366 3.603 -3.035) 4.905 5.540 ( 2.078 8.552 -0.223) 8.803 6.701 ( 15.062 1.862 0.305) 15.180 7.295 ( -6.735 10.993 0.156) 12.893 8.183 ( -2.476 0.664 -0.567) 2.625 8.257 ( 0.865 3.194 1.108) 3.489 9.061 ( 1.511 -33.510 4.290) 33.817 13.491 ( -6.971 4.930 -6.610) 10.798 ======================= Grid point 1233 (373/417) ======================= q-point: (-0.31 -0.31 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 0.000 1.374 1.034) 1.720 2.305 ( 0.000 2.466 13.663) 13.884 2.777 ( 0.000 1.693 1.420) 2.210 3.321 ( -0.000 6.102 -0.071) 6.103 3.588 ( -0.000 1.760 -4.395) 4.735 5.598 ( -0.000 6.631 1.271) 6.752 6.583 ( 0.000 1.407 2.364) 2.751 7.483 ( -0.000 12.779 2.860) 13.095 8.242 ( 0.000 -0.156 0.545) 0.567 8.243 ( -0.000 3.411 -2.177) 4.046 8.745 ( 0.000 -29.015 1.827) 29.073 13.575 ( -0.000 4.262 -6.848) 8.066 ======================= Grid point 1389 (374/417) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.000 -0.000 16.491) 16.491 0.952 ( 0.000 -0.000 16.491) 16.491 1.745 ( -0.000 0.000 -6.743) 6.743 1.745 ( -0.000 0.000 -6.743) 6.743 2.011 ( 0.000 -0.000 37.115) 37.115 4.146 ( -0.000 0.000 -20.192) 20.192 6.103 ( 0.000 -0.000 3.196) 3.196 6.103 ( 0.000 -0.000 3.196) 3.196 8.298 ( -0.000 0.000 -2.294) 2.294 8.298 ( -0.000 0.000 -2.294) 2.294 12.403 ( 0.000 -0.000 1.629) 1.629 12.823 ( -0.000 0.000 -0.880) 0.880 ======================= Grid point 1390 (375/417) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 9.716 5.610 14.917) 18.665 1.307 ( 17.945 10.360 14.429) 25.250 1.742 ( 2.464 1.423 -7.057) 7.608 1.900 ( 16.057 9.271 -7.255) 19.910 2.182 ( 6.281 3.626 31.047) 31.883 3.843 ( -12.470 -7.199 -13.793) 19.939 6.132 ( 1.818 1.049 2.980) 3.645 6.936 ( 53.929 31.136 -10.044) 63.077 8.127 ( -12.587 -7.267 -3.115) 14.865 8.267 ( -2.377 -1.373 -2.280) 3.568 12.389 ( -4.035 -2.330 4.699) 6.617 12.794 ( -0.193 -0.111 -8.263) 8.266 ======================= Grid point 1391 (376/417) ======================= q-point: ( 0.44 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 12.143 7.011 11.954) 18.426 1.619 ( 6.779 3.914 13.335) 15.463 1.826 ( 7.844 4.529 -7.037) 11.470 2.291 ( 13.555 7.826 10.303) 18.738 2.619 ( 28.042 16.190 2.643) 32.488 3.631 ( -2.353 -1.359 -10.154) 10.511 6.203 ( 3.712 2.143 2.637) 5.032 7.627 ( -9.450 -5.456 2.350) 11.162 8.094 ( 28.309 16.344 -15.988) 36.389 8.185 ( -4.040 -2.332 -2.208) 5.161 12.190 ( -16.043 -9.263 10.720) 21.403 12.805 ( 5.105 2.947 -17.959) 18.902 ======================= Grid point 1392 (377/417) ======================= q-point: ( 0.50 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 6.156 3.554 5.308) 8.871 1.773 ( 4.519 2.609 11.203) 12.359 2.090 ( 16.602 9.585 -2.616) 19.348 2.601 ( 11.146 6.435 11.605) 17.330 3.117 ( 11.947 6.898 -15.214) 20.537 3.812 ( 23.087 13.329 1.163) 26.684 6.311 ( 5.047 2.914 2.270) 6.255 7.305 ( -13.785 -7.959 1.364) 15.976 8.087 ( -3.710 -2.142 -2.041) 4.746 8.543 ( 11.592 6.693 -10.878) 17.248 11.745 ( -25.981 -15.000 6.509) 30.698 12.910 ( 8.453 4.880 -12.013) 15.478 ======================= Grid point 1393 (378/417) ======================= q-point: ( 0.56 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 3.979 2.297 1.302) 4.776 1.919 ( 6.040 3.487 6.975) 9.863 2.485 ( 17.853 10.308 -0.138) 20.616 2.824 ( 5.098 2.943 4.840) 7.620 3.218 ( 5.771 3.332 -11.237) 13.064 4.465 ( 29.503 17.034 2.643) 34.170 6.431 ( 4.717 2.724 1.665) 5.696 7.083 ( -5.954 -3.438 1.810) 7.110 8.025 ( -0.884 -0.510 -1.531) 1.840 8.588 ( -2.835 -1.637 -8.714) 9.309 11.081 ( -33.533 -19.361 -0.403) 38.723 13.090 ( 9.083 5.244 -1.925) 10.663 ======================= Grid point 1394 (379/417) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 3.158 1.823 -0.082) 3.648 2.085 ( 7.296 4.212 1.080) 8.493 2.854 ( -1.208 -0.697 -4.136) 4.364 2.858 ( 14.956 8.635 0.208) 17.271 3.359 ( 7.410 4.278 -0.504) 8.571 5.049 ( 21.027 12.140 1.898) 24.354 6.520 ( 2.793 1.612 0.486) 3.261 7.063 ( 3.545 2.047 2.042) 4.575 8.047 ( 3.078 1.777 -0.416) 3.578 8.440 ( -6.636 -3.831 -6.558) 10.086 10.272 ( -36.964 -21.341 -4.604) 42.930 13.284 ( 7.597 4.386 4.304) 9.771 ======================= Grid point 1395 (380/417) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 2.259 1.304 -0.714) 2.705 2.236 ( 6.477 3.740 -6.617) 9.986 2.797 ( -1.883 -1.087 -4.200) 4.729 3.145 ( 10.380 5.993 0.157) 11.987 3.505 ( 4.767 2.752 3.256) 6.395 5.413 ( 11.489 6.633 0.677) 13.284 6.563 ( 1.316 0.760 -1.043) 1.843 7.234 ( 10.394 6.001 0.738) 12.025 8.144 ( 4.861 2.807 1.008) 5.703 8.296 ( -4.196 -2.423 -3.551) 6.007 9.442 ( -34.593 -19.972 -5.008) 40.257 13.450 ( 5.563 3.212 6.658) 9.252 ======================= Grid point 1406 (381/417) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 0.000 11.139 13.137) 17.224 1.347 ( 0.000 22.280 14.920) 26.814 1.747 ( -0.000 4.374 -7.764) 8.911 1.840 ( -0.000 16.336 -7.656) 18.041 2.282 ( 0.000 5.740 30.156) 30.697 3.798 ( -0.000 -13.300 -14.851) 19.936 6.149 ( 0.000 2.689 2.524) 3.688 6.893 ( -0.000 59.329 -7.472) 59.798 8.144 ( -0.000 -12.524 -3.764) 13.078 8.246 ( -0.000 -3.590 -1.715) 3.979 12.391 ( 0.000 -5.912 4.715) 7.562 12.779 ( -0.000 -0.250 -7.516) 7.520 ======================= Grid point 1407 (382/417) ======================= q-point: ( 0.44 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 6.837 12.383 11.805) 18.424 1.621 ( 4.491 10.046 11.957) 16.250 1.790 ( 2.343 8.662 -7.879) 11.941 2.169 ( 14.675 19.126 0.357) 24.110 2.513 ( 8.713 16.050 15.488) 23.946 3.620 ( -2.774 -4.224 -12.064) 13.080 6.202 ( 1.573 4.334 2.215) 5.115 7.599 ( 14.693 22.512 -0.389) 26.885 7.947 ( -0.933 3.078 -11.394) 11.839 8.197 ( -0.940 -3.615 -2.097) 4.283 12.268 ( -5.494 -16.894 10.214) 20.492 12.766 ( 0.000 6.952 -15.585) 17.065 ======================= Grid point 1408 (383/417) ======================= q-point: ( 0.50 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 4.823 6.941 6.509) 10.668 1.780 ( 2.851 4.657 9.733) 11.160 1.997 ( 10.020 17.394 -3.765) 20.424 2.530 ( 10.383 8.710 12.152) 18.202 2.946 ( 14.103 15.778 -10.104) 23.450 3.658 ( 10.669 12.340 -2.996) 16.586 6.302 ( 3.084 6.510 2.118) 7.509 7.440 ( -12.770 -12.579 1.452) 17.983 8.098 ( -1.587 -3.930 -1.861) 4.628 8.378 ( 14.562 15.634 -10.023) 23.600 11.930 ( -15.107 -23.313 8.391) 29.019 12.832 ( 3.886 9.875 -13.633) 17.276 ======================= Grid point 1409 (384/417) ======================= q-point: ( 0.56 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 2.511 5.405 1.679) 6.191 1.899 ( 3.650 3.953 7.284) 9.055 2.382 ( 12.808 20.064 0.155) 23.804 2.781 ( 6.629 4.492 7.684) 11.098 3.126 ( 5.441 5.679 -13.188) 15.354 4.194 ( 25.806 23.150 2.085) 34.730 6.437 ( 2.930 8.821 2.105) 9.531 7.157 ( -8.411 -7.939 1.803) 11.705 8.029 ( -1.396 -2.101 -1.745) 3.067 8.554 ( 1.921 -0.095 -7.646) 7.885 11.367 ( -25.221 -25.143 1.309) 35.637 12.990 ( 7.748 7.185 -4.106) 11.337 ======================= Grid point 1410 (385/417) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 1.510 5.519 0.152) 5.724 2.032 ( 5.087 4.493 3.150) 7.482 2.764 ( 9.168 13.525 1.747) 16.432 2.868 ( 1.733 5.385 -3.936) 6.891 3.279 ( 7.733 6.855 -1.750) 10.481 4.831 ( 22.814 18.415 1.850) 29.377 6.568 ( 0.235 10.534 1.801) 10.689 7.035 ( -0.315 -3.065 2.670) 4.078 8.020 ( 1.772 1.071 -1.268) 2.428 8.463 ( -4.384 -5.984 -6.265) 9.709 10.627 ( -32.486 -24.599 -4.127) 40.958 13.182 ( 9.077 2.590 3.157) 9.953 ======================= Grid point 1411 (386/417) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 0.518 5.448 -0.431) 5.490 2.165 ( 5.006 4.501 -2.918) 7.337 2.796 ( -1.276 -1.624 -3.454) 4.024 3.127 ( 6.586 17.663 -0.209) 18.852 3.459 ( 5.811 5.181 2.329) 8.126 5.291 ( 13.827 11.342 1.410) 17.939 6.654 ( -3.443 12.081 0.888) 12.594 7.101 ( 8.372 0.075 2.235) 8.666 8.098 ( 4.502 3.446 -0.070) 5.670 8.311 ( -3.667 -5.573 -4.236) 7.903 9.812 ( -34.521 -21.588 -5.969) 41.151 13.355 ( 8.770 -1.222 6.241) 10.834 ======================= Grid point 1424 (387/417) ======================= q-point: ( 0.44 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.000 11.164 9.862) 14.896 1.727 ( 0.000 9.321 9.158) 13.067 1.836 ( -0.000 11.401 -8.425) 14.177 2.266 ( 0.000 21.775 5.764) 22.525 2.666 ( 0.000 21.531 7.981) 22.962 3.575 ( -0.000 0.434 -10.404) 10.414 6.239 ( -0.000 5.193 1.218) 5.334 7.661 ( 0.000 -1.912 4.024) 4.455 8.008 ( -0.000 24.748 -14.588) 28.728 8.146 ( 0.000 -5.530 -0.652) 5.568 12.144 ( 0.000 -24.485 11.329) 26.979 12.807 ( -0.000 11.282 -16.163) 19.711 ======================= Grid point 1425 (388/417) ======================= q-point: ( 0.50 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 3.958 6.415 5.641) 9.415 1.833 ( 0.587 6.193 6.576) 9.052 2.017 ( 7.587 18.986 -4.726) 20.985 2.524 ( 5.873 11.970 12.276) 18.124 2.928 ( 4.892 18.030 -8.749) 20.629 3.656 ( 5.276 17.723 -3.176) 18.762 6.324 ( 2.921 6.954 0.815) 7.587 7.482 ( -7.565 -14.925 -0.518) 16.740 8.074 ( -1.119 -4.047 -0.464) 4.224 8.325 ( 8.178 18.599 -7.188) 21.551 11.869 ( -5.668 -30.049 10.973) 32.488 12.876 ( -0.176 13.670 -15.070) 20.348 ======================= Grid point 1426 (389/417) ======================= q-point: ( 0.56 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 3.578 5.528 1.779) 6.821 1.917 ( 1.420 4.618 4.695) 6.737 2.394 ( 12.081 22.812 -0.344) 25.816 2.746 ( 5.600 5.024 8.743) 11.534 3.077 ( 3.772 9.019 -11.970) 15.455 4.092 ( 16.527 29.342 0.923) 33.689 6.477 ( 4.872 10.129 1.052) 11.289 7.212 ( -8.143 -10.407 -0.453) 13.222 8.017 ( -0.871 -3.109 -0.680) 3.300 8.501 ( 2.553 1.851 -4.634) 5.606 11.432 ( -13.945 -31.771 6.074) 35.225 12.973 ( 1.957 10.785 -8.379) 13.797 ======================= Grid point 1427 (390/417) ======================= q-point: ( 0.62 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 2.195 6.935 0.252) 7.278 2.012 ( 3.449 4.226 2.741) 6.105 2.780 ( 4.845 9.973 4.693) 12.040 2.870 ( 7.157 12.563 -5.083) 15.326 3.234 ( 6.510 10.247 -2.083) 12.318 4.679 ( 19.503 24.615 0.977) 31.420 6.673 ( 3.503 13.562 1.630) 14.101 7.034 ( -3.525 -5.287 1.154) 6.458 7.996 ( 1.026 -0.096 -1.073) 1.488 8.446 ( -3.187 -6.554 -3.914) 8.272 10.829 ( -22.856 -29.824 -0.333) 37.577 13.090 ( 4.915 3.999 -0.606) 6.365 ======================= Grid point 1428 (391/417) ======================= q-point: ( 0.69 0.44 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.371 7.786 -0.118) 7.796 2.126 ( 4.374 4.357 -0.762) 6.221 2.792 ( -1.024 -1.445 -1.759) 2.496 3.201 ( 7.405 18.703 -0.528) 20.122 3.449 ( 5.647 12.060 1.502) 13.401 5.180 ( 15.186 16.092 0.963) 22.147 6.844 ( -0.173 14.025 2.468) 14.242 7.008 ( 2.336 0.631 1.660) 2.935 8.053 ( 4.329 3.077 -0.862) 5.381 8.294 ( -3.878 -7.783 -3.048) 9.214 10.110 ( -28.828 -25.072 -4.540) 38.474 13.206 ( 7.329 -2.626 4.075) 8.787 ======================= Grid point 1442 (392/417) ======================= q-point: ( 0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.000 5.042 3.505) 6.140 1.904 ( 0.000 5.388 3.685) 6.527 2.115 ( -0.000 20.121 -4.038) 20.522 2.634 ( 0.000 10.088 13.346) 16.730 3.011 ( -0.000 12.256 -12.680) 17.635 3.834 ( -0.000 30.114 -0.534) 30.118 6.358 ( -0.000 6.493 -0.561) 6.517 7.396 ( 0.000 -14.034 -3.435) 14.448 8.041 ( 0.000 -4.768 0.753) 4.827 8.405 ( -0.000 12.464 -2.903) 12.798 11.635 ( 0.000 -34.756 11.805) 36.706 12.977 ( -0.000 15.302 -14.430) 21.033 ======================= Grid point 1443 (393/417) ======================= q-point: ( 0.56 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 3.418 4.412 1.421) 5.759 1.961 ( 0.295 4.627 1.599) 4.904 2.403 ( 10.666 21.418 -1.830) 23.997 2.761 ( 1.564 3.922 9.377) 10.283 3.092 ( 1.828 10.818 -10.019) 14.858 4.215 ( 6.692 34.476 0.012) 35.119 6.469 ( 5.690 7.532 -0.965) 9.489 7.217 ( -4.857 -9.936 -3.908) 11.730 8.001 ( -0.480 -2.580 1.013) 2.813 8.480 ( 0.593 0.795 -0.513) 1.117 11.276 ( -5.144 -37.261 9.778) 38.864 13.065 ( -1.569 13.459 -10.926) 17.406 ======================= Grid point 1444 (394/417) ======================= q-point: ( 0.62 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 5.061 5.245 0.527) 7.308 2.022 ( 1.297 4.737 0.643) 4.954 2.806 ( 0.282 0.291 4.381) 4.400 2.832 ( 14.249 20.420 -2.539) 25.029 3.239 ( 4.868 11.725 -2.815) 13.004 4.685 ( 11.193 29.395 -0.145) 31.454 6.685 ( 9.338 10.396 -0.771) 13.995 7.050 ( -4.337 -5.091 -1.984) 6.976 7.988 ( -0.038 0.578 0.590) 0.827 8.427 ( -2.993 -6.501 -0.107) 7.158 10.802 ( -11.484 -36.279 5.098) 38.393 13.113 ( -1.771 7.798 -5.286) 9.586 ======================= Grid point 1445 (395/417) ======================= q-point: ( 0.69 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 4.160 7.205 -0.000) 8.320 2.100 ( 2.508 4.345 -0.000) 5.017 2.791 ( -0.864 -1.496 -0.000) 1.727 3.223 ( 8.716 15.097 -0.000) 17.432 3.477 ( 9.158 15.863 -0.000) 18.316 5.126 ( 11.701 20.267 -0.000) 23.402 6.894 ( 1.935 3.352 -0.000) 3.870 7.032 ( 5.212 9.027 -0.000) 10.423 8.025 ( 2.106 3.647 -0.000) 4.212 8.282 ( -4.703 -8.146 -0.000) 9.407 10.230 ( -18.000 -31.177 -0.000) 36.000 13.130 ( 0.298 0.516 -0.000) 0.596 ======================= Grid point 1460 (396/417) ======================= q-point: ( 0.56 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -0.000 3.880 0.751) 3.952 2.002 ( -0.000 4.245 -0.437) 4.267 2.500 ( -0.000 20.426 -1.598) 20.489 2.801 ( 0.000 0.627 6.746) 6.775 3.163 ( -0.000 12.227 -6.017) 13.627 4.500 ( -0.000 34.311 -0.867) 34.321 6.467 ( -0.000 5.126 -1.871) 5.457 7.160 ( -0.000 -6.528 -5.696) 8.663 7.992 ( 0.000 -0.615 1.715) 1.822 8.474 ( 0.000 -3.139 2.526) 4.029 10.969 ( 0.000 -40.560 10.212) 41.826 13.181 ( -0.000 13.212 -10.400) 16.815 ======================= Grid point 1461 (397/417) ======================= q-point: ( 0.62 0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 4.035 3.895 0.410) 5.623 2.051 ( 0.953 4.829 -0.539) 4.951 2.783 ( 7.677 13.218 -1.913) 15.404 2.822 ( 3.578 4.664 5.050) 7.749 3.284 ( 2.073 11.484 -2.606) 11.957 4.846 ( 4.258 29.062 -1.273) 29.399 6.586 ( 9.206 5.293 -1.922) 10.792 7.070 ( -3.347 -1.889 -4.481) 5.903 8.007 ( 0.136 2.412 1.451) 2.818 8.417 ( -2.417 -6.628 3.281) 7.780 10.568 ( -3.746 -41.020 8.028) 41.966 13.236 ( -3.673 10.053 -7.756) 13.217 ======================= Grid point 1479 (398/417) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -0.000 3.373 0.392) 3.396 2.089 ( -0.000 5.426 0.349) 5.437 2.811 ( 0.000 -1.997 4.278) 4.722 2.862 ( -0.000 17.135 -0.637) 17.146 3.368 ( -0.000 10.151 -2.034) 10.353 5.067 ( -0.000 24.053 -1.847) 24.123 6.528 ( -0.000 2.481 -1.249) 2.777 7.093 ( -0.000 3.418 -4.299) 5.492 8.040 ( -0.000 4.259 1.023) 4.380 8.387 ( 0.000 -6.848 4.516) 8.203 10.212 ( 0.000 -42.695 7.778) 43.398 13.343 ( -0.000 9.451 -7.765) 12.232 ======================= Grid point 1672 (399/417) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 417 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.000 -0.000 13.998) 13.998 1.100 ( 0.000 -0.000 13.998) 13.998 1.676 ( -0.000 0.000 -7.399) 7.399 1.676 ( -0.000 0.000 -7.399) 7.399 2.347 ( 0.000 -0.000 32.173) 32.173 3.946 ( -0.000 0.000 -20.891) 20.891 6.131 ( 0.000 -0.000 2.494) 2.494 6.131 ( 0.000 -0.000 2.494) 2.494 8.278 ( -0.000 0.000 -1.802) 1.802 8.278 ( -0.000 0.000 -1.802) 1.802 12.417 ( 0.000 -0.000 1.296) 1.296 12.815 ( -0.000 0.000 -0.724) 0.724 ======================= Grid point 1673 (400/417) ======================= q-point: ( 0.44 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 9.200 5.311 13.097) 16.864 1.439 ( 17.625 10.176 13.082) 24.194 1.672 ( 2.300 1.328 -7.491) 7.948 1.821 ( 16.968 9.797 -9.206) 21.649 2.463 ( 2.311 1.334 26.497) 26.631 3.699 ( -10.147 -5.858 -15.504) 19.433 6.157 ( 1.795 1.036 2.228) 3.042 6.864 ( 50.784 29.320 -5.195) 58.870 8.103 ( -13.643 -7.877 -1.901) 15.867 8.247 ( -2.435 -1.406 -1.805) 3.341 12.431 ( -0.419 -0.242 3.863) 3.893 12.727 ( -6.039 -3.487 -5.634) 8.965 ======================= Grid point 1674 (401/417) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 10.165 5.869 11.511) 16.440 1.726 ( 6.675 3.854 8.696) 11.620 1.755 ( 9.039 5.219 -7.727) 12.987 2.349 ( 23.237 13.416 1.904) 26.899 2.672 ( 13.146 7.590 7.638) 16.993 3.537 ( 1.024 0.591 -8.919) 8.997 6.226 ( 3.700 2.136 2.012) 4.722 7.662 ( -10.722 -6.190 4.815) 13.284 7.957 ( 30.229 17.453 -12.305) 37.011 8.166 ( -4.085 -2.358 -1.833) 5.060 12.285 ( -17.198 -9.929 8.176) 21.476 12.657 ( 5.514 3.183 -12.133) 13.702 ======================= Grid point 1675 (402/417) ======================= q-point: ( 0.56 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 3.957 2.285 2.693) 5.304 1.864 ( 4.058 2.343 7.343) 8.710 2.075 ( 18.178 10.495 -0.452) 20.995 2.714 ( 9.666 5.581 11.282) 15.870 2.971 ( 9.747 5.627 -14.475) 18.335 3.822 ( 25.680 14.826 0.901) 29.666 6.332 ( 5.002 2.888 1.993) 6.110 7.327 ( -13.863 -8.004 2.988) 16.284 8.068 ( -3.675 -2.122 -1.897) 4.649 8.454 ( 12.209 7.049 -7.391) 15.918 11.774 ( -28.186 -16.273 -0.776) 32.556 12.840 ( 11.393 6.578 -2.107) 13.323 ======================= Grid point 1676 (403/417) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 3.417 1.973 0.282) 3.955 1.976 ( 4.454 2.572 4.636) 6.924 2.489 ( 17.940 10.358 0.805) 20.731 2.845 ( 0.643 0.371 -1.272) 1.473 3.144 ( 10.331 5.964 -3.052) 12.313 4.487 ( 29.472 17.016 1.857) 34.082 6.448 ( 4.428 2.557 1.909) 5.458 7.112 ( -5.941 -3.430 4.097) 7.990 8.009 ( -0.592 -0.342 -1.753) 1.881 8.516 ( -2.559 -1.477 -6.077) 6.757 11.049 ( -34.771 -20.075 -6.105) 40.612 13.105 ( 11.005 6.354 4.973) 13.646 ======================= Grid point 1690 (404/417) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.000 10.457 10.861) 15.076 1.486 ( 0.000 21.983 13.777) 25.943 1.669 ( -0.000 3.821 -8.251) 9.093 1.759 ( -0.000 17.179 -9.077) 19.430 2.545 ( 0.000 1.867 23.531) 23.605 3.651 ( -0.000 -10.765 -14.836) 18.330 6.169 ( 0.000 2.470 1.510) 2.896 6.842 ( -0.000 56.902 -3.373) 57.002 8.113 ( 0.000 -14.518 -2.594) 14.748 8.233 ( -0.000 -3.381 -0.921) 3.504 12.433 ( 0.000 -1.336 3.819) 4.046 12.719 ( -0.000 -6.867 -5.064) 8.532 ======================= Grid point 1691 (405/417) ======================= q-point: ( 0.50 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 6.988 11.004 11.060) 17.095 1.708 ( 2.950 8.876 -8.134) 12.395 1.715 ( 3.664 8.149 6.132) 10.837 2.155 ( 18.150 27.196 -2.130) 32.766 2.659 ( 2.920 5.942 12.846) 14.452 3.510 ( -1.204 -1.831 -9.661) 9.907 6.219 ( 1.840 4.066 1.214) 4.625 7.603 ( 21.437 35.094 0.950) 41.134 7.858 ( -7.231 -9.394 -6.865) 13.699 8.182 ( -1.524 -3.787 -1.066) 4.219 12.367 ( -5.268 -15.981 10.094) 19.622 12.630 ( -0.929 4.986 -12.557) 13.542 ======================= Grid point 1692 (406/417) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 2.774 4.418 2.833) 5.936 1.850 ( 3.413 4.080 4.646) 7.063 1.972 ( 12.182 19.264 -1.046) 22.816 2.636 ( 12.116 10.765 8.251) 18.187 2.851 ( 7.663 9.768 -8.084) 14.815 3.637 ( 14.018 15.525 -1.184) 20.951 6.319 ( 3.400 6.354 1.305) 7.324 7.457 ( -12.394 -13.724 1.878) 18.587 8.083 ( -1.670 -3.416 -1.304) 4.020 8.304 ( 14.543 16.741 -5.002) 22.733 11.981 ( -18.458 -22.906 1.551) 29.458 12.746 ( 7.398 9.658 -3.691) 12.713 ======================= Grid point 1693 (407/417) ======================= q-point: ( 0.62 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 2.016 4.985 0.090) 5.378 1.952 ( 3.504 2.978 3.432) 5.738 2.388 ( 13.141 20.414 1.152) 24.306 2.823 ( 2.332 1.164 -1.062) 2.815 3.042 ( 9.009 8.762 -1.845) 12.702 4.210 ( 26.186 23.091 1.051) 34.929 6.456 ( 3.124 8.792 1.676) 9.480 7.182 ( -7.540 -8.586 3.243) 11.878 8.014 ( -1.571 -1.899 -1.500) 2.885 8.497 ( 1.434 0.514 -3.974) 4.256 11.349 ( -27.950 -24.282 -4.994) 37.360 12.991 ( 10.880 6.668 4.133) 13.413 ======================= Grid point 1708 (408/417) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1098 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 0.000 8.683 9.043) 12.536 1.749 ( -0.000 13.257 -9.487) 16.302 1.786 ( 0.000 7.921 2.994) 8.468 2.310 ( -0.000 30.760 3.807) 30.994 2.733 ( 0.000 8.247 4.647) 9.467 3.492 ( -0.000 4.035 -5.951) 7.190 6.245 ( -0.000 4.767 0.096) 4.767 7.705 ( 0.000 -10.250 4.224) 11.086 7.890 ( -0.000 33.219 -9.056) 34.431 8.144 ( 0.000 -5.188 0.266) 5.195 12.250 ( 0.000 -23.926 10.214) 26.015 12.670 ( -0.000 10.071 -11.931) 15.613 ======================= Grid point 1709 (409/417) ======================= q-point: ( 0.56 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 2048 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 2.758 4.142 2.291) 5.478 1.868 ( 1.088 5.564 0.798) 5.725 1.980 ( 9.551 20.759 -2.681) 23.008 2.633 ( 5.757 15.653 8.765) 18.841 2.846 ( 2.718 10.448 -6.935) 12.831 3.636 ( 6.485 20.765 -0.973) 21.776 6.326 ( 3.388 6.485 -0.269) 7.322 7.473 ( -6.890 -16.796 -1.382) 18.207 8.074 ( -1.575 -3.338 0.460) 3.720 8.285 ( 7.980 20.300 -1.084) 21.839 11.956 ( -7.696 -29.380 6.406) 31.040 12.765 ( 1.819 13.187 -7.359) 15.210 ======================= Grid point 1710 (410/417) ======================= q-point: ( 0.62 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1034 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 3.070 5.318 -0.000) 6.140 1.940 ( 2.194 3.800 -0.000) 4.387 2.392 ( 13.219 22.896 -0.000) 26.438 2.801 ( 1.698 2.941 -0.000) 3.396 3.006 ( 6.324 10.953 0.000) 12.647 4.097 ( 16.924 29.313 -0.000) 33.847 6.482 ( 5.601 9.702 -0.000) 11.202 7.210 ( -6.623 -11.471 -0.000) 13.245 8.014 ( -1.551 -2.687 -0.000) 3.102 8.478 ( 1.566 2.712 -0.000) 3.132 11.462 ( -17.449 -30.222 -0.000) 34.898 12.932 ( 5.535 9.587 -0.000) 11.070 ======================= Grid point 1726 (411/417) ======================= q-point: ( 0.56 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -0.000 3.801 0.760) 3.876 1.910 ( -0.000 4.917 -2.192) 5.384 2.083 ( -0.000 21.375 -2.249) 21.493 2.754 ( 0.000 9.481 8.307) 12.606 2.904 ( -0.000 11.325 -6.185) 12.904 3.829 ( -0.000 30.840 -0.605) 30.845 6.348 ( -0.000 6.007 -1.393) 6.166 7.360 ( 0.000 -15.441 -3.786) 15.898 8.052 ( 0.000 -4.411 1.446) 4.642 8.404 ( -0.000 13.836 2.670) 14.092 11.731 ( 0.000 -34.155 7.747) 35.022 12.868 ( -0.000 15.008 -7.600) 16.823 ======================= Grid point 1958 (412/417) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 408 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 -0.000 9.532) 9.532 1.216 ( 0.000 -0.000 9.532) 9.532 1.608 ( -0.000 0.000 -6.203) 6.203 1.608 ( -0.000 0.000 -6.203) 6.203 2.614 ( 0.000 -0.000 21.739) 21.739 3.761 ( -0.000 0.000 -16.099) 16.099 6.150 ( 0.000 -0.000 1.368) 1.368 6.150 ( 0.000 -0.000 1.368) 1.368 8.265 ( -0.000 0.000 -0.992) 0.992 8.265 ( -0.000 0.000 -0.992) 0.992 12.427 ( 0.000 -0.000 0.721) 0.721 12.809 ( -0.000 0.000 -0.413) 0.413 ======================= Grid point 1959 (413/417) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1096 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 9.668 5.582 8.167) 13.832 1.559 ( 17.244 9.956 11.737) 23.114 1.606 ( 1.693 0.977 -5.151) 5.510 1.724 ( 17.240 9.953 -10.850) 22.672 2.669 ( 0.033 0.019 14.380) 14.380 3.568 ( -8.259 -4.768 -9.924) 13.763 6.173 ( 1.847 1.067 1.095) 2.397 6.831 ( 48.871 28.216 -1.991) 56.467 8.092 ( -13.967 -8.064 -0.432) 16.133 8.234 ( -2.560 -1.478 -1.016) 3.125 12.459 ( 2.812 1.624 1.758) 3.693 12.688 ( -10.403 -6.006 -2.420) 12.254 ======================= Grid point 1960 (414/417) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 4.155 2.399 6.058) 7.728 1.685 ( 14.725 8.501 -3.819) 17.426 1.784 ( 6.429 3.712 3.253) 8.105 2.342 ( 28.890 16.680 -2.569) 33.458 2.736 ( 4.101 2.368 4.075) 6.248 3.476 ( 4.083 2.357 -2.826) 5.497 6.240 ( 3.846 2.220 1.048) 4.563 7.710 ( -16.960 -9.792 3.901) 19.969 7.867 ( 36.720 21.200 -5.138) 42.711 8.151 ( -4.244 -2.450 -1.148) 5.033 12.320 ( -20.989 -12.118 -2.413) 24.355 12.598 ( 8.900 5.138 1.320) 10.361 ======================= Grid point 1976 (415/417) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1088 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 11.202 4.309) 12.002 1.601 ( -0.000 2.271 -4.542) 5.078 1.612 ( 0.000 22.945 12.287) 26.028 1.666 ( -0.000 16.566 -10.297) 19.505 2.705 ( 0.000 -0.296 7.571) 7.577 3.543 ( -0.000 -9.108 -5.482) 10.630 6.177 ( -0.000 2.274 0.230) 2.285 6.824 ( -0.000 55.865 -0.541) 55.868 8.095 ( 0.000 -15.713 -1.141) 15.754 8.228 ( 0.000 -3.156 0.048) 3.157 12.460 ( 0.000 2.983 1.550) 3.361 12.685 ( 0.000 -11.993 -1.774) 12.124 ======================= Grid point 1977 (416/417) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 1032 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 9.286 16.084 -0.000) 18.572 1.627 ( 1.608 2.785 -0.000) 3.216 1.749 ( 3.803 6.588 -0.000) 7.607 2.143 ( 17.898 31.001 -0.000) 35.797 2.727 ( 1.225 2.121 -0.000) 2.449 3.459 ( -0.202 -0.350 -0.000) 0.404 6.225 ( 2.203 3.815 -0.000) 4.406 7.610 ( 24.997 43.297 -0.000) 49.995 7.823 ( -10.338 -17.906 -0.000) 20.676 8.177 ( -2.065 -3.577 -0.000) 4.130 12.437 ( -10.642 -18.433 -0.000) 21.285 12.548 ( 4.113 7.125 -0.000) 8.227 ======================= Grid point 2249 (417/417) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 4.65e-08 Number of triplets: 213 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 0.000 -0.000 0.000) 0.000 1.266 ( 0.000 -0.000 0.000) 0.000 1.574 ( 0.000 -0.000 0.000) 0.000 1.574 ( 0.000 -0.000 0.000) 0.000 2.727 ( 0.000 -0.000 0.000) 0.000 3.675 ( -0.000 0.000 -0.000) 0.000 6.156 ( 0.000 -0.000 0.000) 0.000 6.156 ( 0.000 -0.000 0.000) 0.000 8.260 ( 0.000 -0.000 0.000) 0.000 8.260 ( 0.000 -0.000 0.000) 0.000 12.431 ( 0.000 -0.000 0.000) 0.000 12.807 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/49152 10.0 901.524 901.524 2028.323 -0.000 0.000 -0.000 3/49152 20.0 140.882 140.882 148.772 -0.000 0.000 -0.000 3/49152 30.0 76.603 76.603 56.398 -0.000 0.000 -0.000 3/49152 40.0 58.266 58.266 35.016 -0.000 0.000 -0.000 3/49152 50.0 46.068 46.068 25.189 -0.000 0.000 -0.000 3/49152 60.0 37.006 37.006 19.349 -0.000 0.000 -0.000 3/49152 70.0 30.347 30.347 15.521 -0.000 0.000 -0.000 3/49152 80.0 25.445 25.445 12.870 -0.000 0.000 -0.000 3/49152 90.0 21.783 21.783 10.956 -0.000 0.000 -0.000 3/49152 100.0 18.988 18.988 9.525 -0.000 0.000 -0.000 3/49152 110.0 16.807 16.807 8.422 -0.000 0.000 -0.000 3/49152 120.0 15.070 15.070 7.550 -0.000 0.000 -0.000 3/49152 130.0 13.658 13.658 6.844 -0.000 0.000 -0.000 3/49152 140.0 12.491 12.491 6.263 -0.000 0.000 -0.000 3/49152 150.0 11.511 11.511 5.776 -0.000 0.000 -0.000 3/49152 160.0 10.677 10.677 5.362 -0.000 0.000 -0.000 3/49152 170.0 9.959 9.959 5.005 -0.000 0.000 -0.000 3/49152 180.0 9.335 9.335 4.695 -0.000 0.000 -0.000 3/49152 190.0 8.786 8.786 4.422 -0.000 0.000 -0.000 3/49152 200.0 8.300 8.300 4.181 -0.000 0.000 -0.000 3/49152 210.0 7.867 7.867 3.965 -0.000 0.000 -0.000 3/49152 220.0 7.478 7.478 3.772 -0.000 0.000 -0.000 3/49152 230.0 7.127 7.127 3.597 -0.000 0.000 -0.000 3/49152 240.0 6.808 6.808 3.438 -0.000 0.000 -0.000 3/49152 250.0 6.517 6.517 3.293 -0.000 0.000 -0.000 3/49152 260.0 6.251 6.251 3.160 -0.000 0.000 -0.000 3/49152 270.0 6.006 6.006 3.037 -0.000 0.000 -0.000 3/49152 280.0 5.780 5.780 2.924 -0.000 0.000 -0.000 3/49152 290.0 5.571 5.571 2.820 -0.000 0.000 -0.000 3/49152 300.0 5.377 5.377 2.722 -0.000 0.000 -0.000 3/49152 310.0 5.196 5.196 2.632 -0.000 0.000 -0.000 3/49152 320.0 5.027 5.027 2.547 -0.000 0.000 -0.000 3/49152 330.0 4.869 4.869 2.468 -0.000 0.000 -0.000 3/49152 340.0 4.721 4.721 2.393 -0.000 0.000 -0.000 3/49152 350.0 4.582 4.582 2.323 -0.000 0.000 -0.000 3/49152 360.0 4.450 4.450 2.257 -0.000 0.000 -0.000 3/49152 370.0 4.327 4.327 2.195 -0.000 0.000 -0.000 3/49152 380.0 4.210 4.210 2.136 -0.000 0.000 -0.000 3/49152 390.0 4.099 4.099 2.080 -0.000 0.000 -0.000 3/49152 400.0 3.994 3.994 2.027 -0.000 0.000 -0.000 3/49152 410.0 3.894 3.894 1.977 -0.000 0.000 -0.000 3/49152 420.0 3.800 3.800 1.929 -0.000 0.000 -0.000 3/49152 430.0 3.709 3.709 1.884 -0.000 0.000 -0.000 3/49152 440.0 3.623 3.623 1.840 -0.000 0.000 -0.000 3/49152 450.0 3.541 3.541 1.799 -0.000 0.000 -0.000 3/49152 460.0 3.463 3.463 1.759 -0.000 0.000 -0.000 3/49152 470.0 3.388 3.388 1.722 -0.000 0.000 -0.000 3/49152 480.0 3.316 3.316 1.685 -0.000 0.000 -0.000 3/49152 490.0 3.248 3.248 1.651 -0.000 0.000 -0.000 3/49152 500.0 3.182 3.182 1.617 -0.000 0.000 -0.000 3/49152 510.0 3.118 3.118 1.585 -0.000 0.000 -0.000 3/49152 520.0 3.058 3.058 1.555 -0.000 0.000 -0.000 3/49152 530.0 2.999 2.999 1.525 -0.000 0.000 -0.000 3/49152 540.0 2.943 2.943 1.496 -0.000 0.000 -0.000 3/49152 550.0 2.889 2.889 1.469 -0.000 0.000 -0.000 3/49152 560.0 2.837 2.837 1.443 -0.000 0.000 -0.000 3/49152 570.0 2.786 2.786 1.417 -0.000 0.000 -0.000 3/49152 580.0 2.738 2.738 1.393 -0.000 0.000 -0.000 3/49152 590.0 2.691 2.691 1.369 -0.000 0.000 -0.000 3/49152 600.0 2.646 2.646 1.346 -0.000 0.000 -0.000 3/49152 610.0 2.602 2.602 1.324 -0.000 0.000 -0.000 3/49152 620.0 2.560 2.560 1.302 -0.000 0.000 -0.000 3/49152 630.0 2.519 2.519 1.281 -0.000 0.000 -0.000 3/49152 640.0 2.479 2.479 1.261 -0.000 0.000 -0.000 3/49152 650.0 2.440 2.440 1.242 -0.000 0.000 -0.000 3/49152 660.0 2.403 2.403 1.223 -0.000 0.000 -0.000 3/49152 670.0 2.367 2.367 1.205 -0.000 0.000 -0.000 3/49152 680.0 2.332 2.332 1.187 -0.000 0.000 -0.000 3/49152 690.0 2.298 2.298 1.170 -0.000 0.000 -0.000 3/49152 700.0 2.265 2.265 1.153 -0.000 0.000 -0.000 3/49152 710.0 2.233 2.233 1.136 -0.000 0.000 -0.000 3/49152 720.0 2.202 2.202 1.121 -0.000 0.000 -0.000 3/49152 730.0 2.171 2.171 1.105 -0.000 0.000 -0.000 3/49152 740.0 2.142 2.142 1.090 -0.000 0.000 -0.000 3/49152 750.0 2.113 2.113 1.076 -0.000 0.000 -0.000 3/49152 760.0 2.085 2.085 1.061 -0.000 0.000 -0.000 3/49152 770.0 2.058 2.058 1.048 -0.000 0.000 -0.000 3/49152 780.0 2.031 2.031 1.034 -0.000 0.000 -0.000 3/49152 790.0 2.006 2.006 1.021 -0.000 0.000 -0.000 3/49152 800.0 1.980 1.980 1.008 -0.000 0.000 -0.000 3/49152 810.0 1.956 1.956 0.996 -0.000 0.000 -0.000 3/49152 820.0 1.932 1.932 0.984 -0.000 0.000 -0.000 3/49152 830.0 1.908 1.908 0.972 -0.000 0.000 -0.000 3/49152 840.0 1.886 1.886 0.960 -0.000 0.000 -0.000 3/49152 850.0 1.863 1.863 0.949 -0.000 0.000 -0.000 3/49152 860.0 1.842 1.842 0.938 -0.000 0.000 -0.000 3/49152 870.0 1.820 1.820 0.927 -0.000 0.000 -0.000 3/49152 880.0 1.800 1.800 0.916 -0.000 0.000 -0.000 3/49152 890.0 1.779 1.779 0.906 -0.000 0.000 -0.000 3/49152 900.0 1.759 1.759 0.896 -0.000 0.000 -0.000 3/49152 910.0 1.740 1.740 0.886 -0.000 0.000 -0.000 3/49152 920.0 1.721 1.721 0.876 -0.000 0.000 -0.000 3/49152 930.0 1.703 1.703 0.867 -0.000 0.000 -0.000 3/49152 940.0 1.684 1.684 0.858 -0.000 0.000 -0.000 3/49152 950.0 1.667 1.667 0.849 -0.000 0.000 -0.000 3/49152 960.0 1.649 1.649 0.840 -0.000 0.000 -0.000 3/49152 970.0 1.632 1.632 0.831 -0.000 0.000 -0.000 3/49152 980.0 1.615 1.615 0.823 -0.000 0.000 -0.000 3/49152 990.0 1.599 1.599 0.814 -0.000 0.000 -0.000 3/49152 1000.0 1.583 1.583 0.806 -0.000 0.000 -0.000 3/49152 Thermal conductivity related properties were written into "kappa-m161616.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:39:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|